| blob | 43ab48d0c39e14fd70b64c5ec3fb07e0d7b7b806 |
1 [ bondedtypes ]
2 ; bonds angles dihedrals impropers
3 2 2 1 2
5 [ ACE ]
6 [ atoms ]
7 CA CH3 0.000 0
8 C C 0.450 1
9 O O -0.450 1
10 [ bonds ]
11 C CA gb_27
12 C O gb_5
13 C +N gb_19
14 [ angles ]
15 CA C O ga_30
16 CA C +N ga_19
17 O C +N ga_33
18 [ impropers ]
19 C CA +N O gi_1
21 [ NH2 ]
22 [ atoms ]
23 N NT -0.83 0
24 H1 H 0.415 0
25 H2 H 0.415 0
26 [ bonds ]
27 N H1 gb_2
28 N H2 gb_2
29 -C N gb_9
30 [ angles ]
31 -O -C N ga_33
32 -CA -C N ga_19
33 -C N H1 ga_23
34 -C N H2 ga_23
35 H1 N H2 ga_24
36 [ dihedrals ]
37 -CA -C N H1 gd_14
38 [ impropers ]
39 -C -O N -CA gi_1
40 N H1 H2 -C gi_1
42 [ ALA ]
43 [ atoms ]
44 N N -0.31000 0
45 H H 0.31000 0
46 CA CH1 0.00000 1
47 CB CH3 0.00000 1
48 C C 0.450 2
49 O O -0.450 2
50 [ bonds ]
51 N H gb_2
52 N CA gb_21
53 CA CB gb_27
54 CA C gb_27
55 C O gb_5
56 C +N gb_10
57 [ angles ]
58 ; ai aj ak gromos type
59 -C N H ga_32
60 -C N CA ga_31
61 H N CA ga_18
62 N CA CB ga_13
63 N CA C ga_13
64 CB CA C ga_13
65 CA C O ga_30
66 CA C +N ga_19
67 O C +N ga_33
68 [ impropers ]
69 ; ai aj ak al gromos type
70 N -C CA H gi_1
71 CA N C CB gi_2
72 C CA +N O gi_1
73 [ dihedrals ]
74 ; ai aj ak al gromos type
75 -CA -C N CA gd_14
76 -C N CA C gd_44
77 -C N CA C gd_43
78 N CA C +N gd_45
79 N CA C +N gd_42
81 [ ARG ]
82 [ atoms ]
83 N N -0.31000 0
84 H H 0.31000 0
85 CA CH1 0.00000 1
86 CB CH2 0.00000 1
87 CG CH2 0.00000 1
88 CD CH2 0.09000 2
89 NE NE -0.11000 2
90 HE H 0.24000 2
91 CZ C 0.34000 2
92 NH1 NZ -0.26000 2
93 HH11 H 0.24000 2
94 HH12 H 0.24000 2
95 NH2 NZ -0.26000 2
96 HH21 H 0.24000 2
97 HH22 H 0.24000 2
98 C C 0.450 3
99 O O -0.450 3
100 [ bonds ]
101 N H gb_2
102 N CA gb_21
103 CA CB gb_27
104 CA C gb_27
105 CB CG gb_27
106 CG CD gb_27
107 CD NE gb_21
108 NE HE gb_2
109 NE CZ gb_11
110 CZ NH1 gb_11
111 CZ NH2 gb_11
112 NH1 HH11 gb_2
113 NH1 HH12 gb_2
114 NH2 HH21 gb_2
115 NH2 HH22 gb_2
116 C O gb_5
117 C +N gb_10
118 [ angles ]
119 ; ai aj ak gromos type
120 -C N H ga_32
121 -C N CA ga_31
122 H N CA ga_18
123 N CA CB ga_13
124 N CA C ga_13
125 CB CA C ga_13
126 CA CB CG ga_15
127 CB CG CD ga_15
128 CG CD NE ga_13
129 CD NE HE ga_20
130 CD NE CZ ga_33
131 HE NE CZ ga_23
132 NE CZ NH1 ga_28
133 NE CZ NH2 ga_28
134 NH1 CZ NH2 ga_28
135 CZ NH1 HH11 ga_23
136 CZ NH1 HH12 ga_23
137 HH11 NH1 HH12 ga_24
138 CZ NH2 HH21 ga_23
139 CZ NH2 HH22 ga_23
140 HH21 NH2 HH22 ga_24
141 CA C O ga_30
142 CA C +N ga_19
143 O C +N ga_33
144 [ impropers ]
145 ; ai aj ak al gromos type
146 N -C CA H gi_1
147 CA N C CB gi_2
148 NE CD CZ HE gi_1
149 CZ NH1 NH2 NE gi_1
150 NH1 HH11 HH12 CZ gi_1
151 NH2 HH21 HH22 CZ gi_1
152 C CA +N O gi_1
153 [ dihedrals ]
154 ; ai aj ak al gromos type
155 -CA -C N CA gd_14
156 -C N CA C gd_44
157 -C N CA C gd_43
158 N CA CB CG gd_34
159 N CA C +N gd_45
160 N CA C +N gd_42
161 CA CB CG CD gd_34
162 CB CG CD NE gd_34
163 CG CD NE CZ gd_39
164 CD NE CZ NH1 gd_14
165 NE CZ NH1 HH11 gd_14
166 NE CZ NH2 HH21 gd_14
168 [ ARGN ]
169 [ atoms ]
170 N N -0.31000 0
171 H H 0.31000 0
172 CA CH1 0.00000 1
173 CB CH2 0.00000 1
174 CG CH2 0.00000 2
175 CD CH2 0.00000 2
176 NE NE -0.31000 3
177 HE H 0.31000 3
178 CZ C 0.26600 4
179 NH1 NE -0.67400 4
180 HH1 H 0.40800 4
181 NH2 NZ -0.88000 5
182 HH21 H 0.44000 5
183 HH22 H 0.44000 5
184 C C 0.450 6
185 O O -0.450 6
186 [ bonds ]
187 N H gb_2
188 N CA gb_21
189 CA CB gb_27
190 CA C gb_27
191 CB CG gb_27
192 CG CD gb_27
193 CD NE gb_21
194 NE HE gb_2
195 NE CZ gb_11
196 CZ NH1 gb_11
197 CZ NH2 gb_11
198 NH1 HH1 gb_2
199 NH2 HH21 gb_2
200 NH2 HH22 gb_2
201 C O gb_5
202 C +N gb_10
203 [ angles ]
204 ; ai aj ak gromos type
205 -C N H ga_32
206 -C N CA ga_31
207 H N CA ga_18
208 N CA CB ga_13
209 N CA C ga_13
210 CB CA C ga_13
211 CA CB CG ga_15
212 CB CG CD ga_15
213 CG CD NE ga_13
214 CD NE HE ga_20
215 CD NE CZ ga_33
216 HE NE CZ ga_23
217 NE CZ NH1 ga_28
218 NE CZ NH2 ga_28
219 NH1 CZ NH2 ga_28
220 CZ NH1 HH1 ga_23
221 CZ NH2 HH21 ga_23
222 CZ NH2 HH22 ga_23
223 HH21 NH2 HH22 ga_24
224 CA C O ga_30
225 CA C +N ga_19
226 O C +N ga_33
227 [ impropers ]
228 ; ai aj ak al gromos type
229 N -C CA H gi_1
230 CA N C CB gi_2
231 NE CD CZ HE gi_1
232 CZ NH1 NH2 NE gi_1
233 NH2 HH21 HH22 CZ gi_1
234 C CA +N O gi_1
235 [ dihedrals ]
236 ; ai aj ak al gromos type
237 -CA -C N CA gd_14
238 -C N CA C gd_44
239 -C N CA C gd_43
240 N CA CB CG gd_34
241 N CA C +N gd_45
242 N CA C +N gd_42
243 CA CB CG CD gd_34
244 CB CG CD NE gd_34
245 CG CD NE CZ gd_39
246 CD NE CZ NH1 gd_14
247 NE CZ NH1 HH1 gd_14
248 NE CZ NH2 HH21 gd_14
250 [ ASN ]
251 [ atoms ]
252 N N -0.31000 0
253 H H 0.31000 0
254 CA CH1 0.00000 1
255 CB CH2 0.00000 1
256 CG C 0.29000 2
257 OD1 O -0.45000 2
258 ND2 NT -0.72000 2
259 HD21 H 0.44000 2
260 HD22 H 0.44000 2
261 C C 0.450 3
262 O O -0.450 3
263 [ bonds ]
264 N H gb_2
265 N CA gb_21
266 CA CB gb_27
267 CA C gb_27
268 CB CG gb_27
269 CG OD1 gb_5
270 CG ND2 gb_9
271 ND2 HD21 gb_2
272 ND2 HD22 gb_2
273 C O gb_5
274 C +N gb_10
275 [ angles ]
276 ; ai aj ak gromos type
277 -C N H ga_32
278 -C N CA ga_31
279 H N CA ga_18
280 N CA CB ga_13
281 N CA C ga_13
282 CB CA C ga_13
283 CA CB CG ga_15
284 CB CG OD1 ga_30
285 CB CG ND2 ga_19
286 OD1 CG ND2 ga_33
287 CG ND2 HD21 ga_23
288 CG ND2 HD22 ga_23
289 HD21 ND2 HD22 ga_24
290 CA C O ga_30
291 CA C +N ga_19
292 O C +N ga_33
293 [ impropers ]
294 ; ai aj ak al gromos type
295 N -C CA H gi_1
296 CA N C CB gi_2
297 CG OD1 ND2 CB gi_1
298 ND2 HD21 HD22 CG gi_1
299 C CA +N O gi_1
300 [ dihedrals ]
301 ; ai aj ak al gromos type
302 -CA -C N CA gd_14
303 -C N CA C gd_44
304 -C N CA C gd_43
305 N CA CB CG gd_34
306 N CA C +N gd_45
307 N CA C +N gd_42
308 CA CB CG ND2 gd_40
309 CB CG ND2 HD21 gd_14
311 [ ASN1 ]
312 [ atoms ]
313 N N -0.31000 0
314 H H 0.31000 0
315 CA CH1 0.00000 1
316 CB CH2 0.00000 1
317 CG C 0.29000 2
318 OD1 O -0.45000 2
319 ND2 NL -0.72000 2
320 HD21 H 0.44000 2
321 HD22 H 0.44000 2
322 C C 0.450 3
323 O O -0.450 3
324 [ bonds ]
325 N H gb_2
326 N CA gb_21
327 CA CB gb_27
328 CA C gb_27
329 CB CG gb_27
330 CG OD1 gb_5
331 CG ND2 gb_9
332 ND2 HD21 gb_2
333 ND2 HD22 gb_2
334 C O gb_5
335 C +N gb_10
336 [ angles ]
337 ; ai aj ak gromos type
338 -C N H ga_32
339 -C N CA ga_31
340 H N CA ga_18
341 N CA CB ga_13
342 N CA C ga_13
343 CB CA C ga_13
344 CA CB CG ga_15
345 CB CG OD1 ga_30
346 CB CG ND2 ga_19
347 OD1 CG ND2 ga_33
348 CG ND2 HD21 ga_23
349 CG ND2 HD22 ga_23
350 HD21 ND2 HD22 ga_24
351 CA C O ga_30
352 CA C +N ga_19
353 O C +N ga_33
354 [ impropers ]
355 ; ai aj ak al gromos type
356 N -C CA H gi_1
357 CA N C CB gi_2
358 CG OD1 ND2 CB gi_1
359 ND2 HD21 HD22 CG gi_1
360 C CA +N O gi_1
361 [ dihedrals ]
362 ; ai aj ak al gromos type
363 -CA -C N CA gd_14
364 -C N CA C gd_44
365 -C N CA C gd_43
366 N CA CB CG gd_34
367 N CA C +N gd_45
368 N CA C +N gd_42
369 CA CB CG ND2 gd_40
370 CB CG ND2 HD21 gd_14
372 [ ASP ]
373 [ atoms ]
374 N N -0.31000 0
375 H H 0.31000 0
376 CA CH1 0.00000 1
377 CB CH2 0.00000 1
378 CG C 0.27000 2
379 OD1 OM -0.63500 2
380 OD2 OM -0.63500 2
381 C C 0.450 3
382 O O -0.450 3
383 [ bonds ]
384 N H gb_2
385 N CA gb_21
386 CA CB gb_27
387 CA C gb_27
388 CB CG gb_27
389 CG OD1 gb_6
390 CG OD2 gb_6
391 C O gb_5
392 C +N gb_10
393 [ angles ]
394 ; ai aj ak gromos type
395 -C N H ga_32
396 -C N CA ga_31
397 H N CA ga_18
398 N CA CB ga_13
399 N CA C ga_13
400 CB CA C ga_13
401 CA CB CG ga_15
402 CB CG OD1 ga_22
403 CB CG OD2 ga_22
404 OD1 CG OD2 ga_38
405 CA C O ga_30
406 CA C +N ga_19
407 O C +N ga_33
408 [ impropers ]
409 ; ai aj ak al gromos type
410 N -C CA H gi_1
411 CA N C CB gi_2
412 CG OD1 OD2 CB gi_1
413 C CA +N O gi_1
414 [ dihedrals ]
415 ; ai aj ak al gromos type
416 -CA -C N CA gd_14
417 -C N CA C gd_44
418 -C N CA C gd_43
419 N CA CB CG gd_34
420 N CA C +N gd_45
421 N CA C +N gd_42
422 CA CB CG OD1 gd_40
424 [ ASPH ]
425 [ atoms ]
426 N N -0.31000 0
427 H H 0.31000 0
428 CA CH1 0.00000 1
429 CB CH2 0.00000 1
430 CG C 0.33000 2
431 OD1 O -0.45000 2
432 OD2 OA -0.28800 2
433 HD2 H 0.40800 2
434 C C 0.450 3
435 O O -0.450 3
436 [ bonds ]
437 N H gb_2
438 N CA gb_21
439 CA CB gb_27
440 CA C gb_27
441 CB CG gb_27
442 CG OD1 gb_5
443 CG OD2 gb_13
444 OD2 HD2 gb_1
445 C O gb_5
446 C +N gb_10
447 [ angles ]
448 ; ai aj ak gromos type
449 -C N H ga_32
450 -C N CA ga_31
451 H N CA ga_18
452 N CA CB ga_13
453 N CA C ga_13
454 CB CA C ga_13
455 CA CB CG ga_15
456 CB CG OD1 ga_30
457 CB CG OD2 ga_19
458 OD1 CG OD2 ga_33
459 CG OD2 HD2 ga_12
460 CA C O ga_30
461 CA C +N ga_19
462 O C +N ga_33
463 [ impropers ]
464 ; ai aj ak al gromos type
465 N -C CA H gi_1
466 CA N C CB gi_2
467 CG OD1 OD2 CB gi_1
468 C CA +N O gi_1
469 [ dihedrals ]
470 ; ai aj ak al gromos type
471 -CA -C N CA gd_14
472 -C N CA C gd_44
473 -C N CA C gd_43
474 N CA CB CG gd_34
475 N CA C +N gd_45
476 N CA C +N gd_42
477 CA CB CG OD2 gd_40
478 CB CG OD2 HD2 gd_12
480 [ CYS ]
481 [ atoms ]
482 N N -0.31000 0
483 H H 0.31000 0
484 CA CH1 0.00000 1
485 CB CH2 -0.10000 2
486 SG S -0.40000 2
487 C C 0.450 3
488 O O -0.450 3
489 [ bonds ]
490 N H gb_2
491 N CA gb_21
492 CA CB gb_27
493 CA C gb_27
494 CB SG gb_32
495 C O gb_5
496 C +N gb_10
497 [ angles ]
498 ; ai aj ak gromos type
499 -C N H ga_32
500 -C N CA ga_31
501 H N CA ga_18
502 N CA CB ga_13
503 N CA C ga_13
504 CB CA C ga_13
505 CA CB SG ga_16
506 CA C O ga_30
507 CA C +N ga_19
508 O C +N ga_33
509 [ impropers ]
510 ; ai aj ak al gromos type
511 N -C CA H gi_1
512 CA N C CB gi_2
513 C CA +N O gi_1
514 [ dihedrals ]
515 ; ai aj ak al gromos type
516 -CA -C N CA gd_14
517 -C N CA C gd_44
518 -C N CA C gd_43
519 N CA CB SG gd_34
520 N CA C +N gd_45
521 N CA C +N gd_42
523 [ CYSH ]
524 [ atoms ]
525 N N -0.31000 0
526 H H 0.31000 0
527 CA CH1 0.00000 1
528 CB CH2 0.15000 2
529 SG S -0.37000 2
530 HG H 0.22000 2
531 C C 0.450 3
532 O O -0.450 3
533 [ bonds ]
534 N H gb_2
535 N CA gb_21
536 CA CB gb_27
537 CA C gb_27
538 CB SG gb_32
539 SG HG gb_8
540 C O gb_5
541 C +N gb_10
542 [ angles ]
543 ; ai aj ak gromos type
544 -C N H ga_32
545 -C N CA ga_31
546 H N CA ga_18
547 N CA CB ga_13
548 N CA C ga_13
549 CB CA C ga_13
550 CA CB SG ga_16
551 CB SG HG ga_3
552 CA C O ga_30
553 CA C +N ga_19
554 O C +N ga_33
555 [ impropers ]
556 ; ai aj ak al gromos type
557 N -C CA H gi_1
558 CA N C CB gi_2
559 C CA +N O gi_1
560 [ dihedrals ]
561 ; ai aj ak al gromos type
562 -CA -C N CA gd_14
563 -C N CA C gd_44
564 -C N CA C gd_43
565 N CA CB SG gd_34
566 N CA C +N gd_45
567 N CA C +N gd_42
568 CA CB SG HG gd_26
570 [ CYS1 ]
571 [ atoms ]
572 N N -0.31000 0
573 H H 0.31000 0
574 CA CH1 0.00000 1
575 CB CH2 0.00000 1
576 SG S 0.00000 1
577 C C 0.450 2
578 O O -0.450 2
579 [ bonds ]
580 N H gb_2
581 N CA gb_21
582 CA CB gb_27
583 CA C gb_27
584 CB SG gb_32
585 C O gb_5
586 C +N gb_10
587 [ angles ]
588 ; ai aj ak gromos type
589 -C N H ga_32
590 -C N CA ga_31
591 H N CA ga_18
592 N CA CB ga_13
593 N CA C ga_13
594 CB CA C ga_13
595 CA CB SG ga_16
596 CA C O ga_30
597 CA C +N ga_19
598 O C +N ga_33
599 [ impropers ]
600 ; ai aj ak al gromos type
601 N -C CA H gi_1
602 CA N C CB gi_2
603 C CA +N O gi_1
604 [ dihedrals ]
605 ; ai aj ak al gromos type
606 -CA -C N CA gd_14
607 -C N CA C gd_44
608 -C N CA C gd_43
609 N CA CB SG gd_34
610 N CA C +N gd_45
611 N CA C +N gd_42
613 [ CYS2 ]
614 [ atoms ]
615 N N -0.31000 0
616 H H 0.31000 0
617 CA CH1 0.00000 1
618 CB CH2 0.00000 1
619 SG S 0.00000 1
620 C C 0.450 2
621 O O -0.450 2
622 [ bonds ]
623 N H gb_2
624 N CA gb_21
625 CA CB gb_27
626 CA C gb_27
627 CB SG gb_32
628 C O gb_5
629 C +N gb_10
630 [ angles ]
631 ; ai aj ak gromos type
632 -C N H ga_32
633 -C N CA ga_31
634 H N CA ga_18
635 N CA CB ga_13
636 N CA C ga_13
637 CB CA C ga_13
638 CA CB SG ga_16
639 CA C O ga_30
640 CA C +N ga_19
641 O C +N ga_33
642 [ impropers ]
643 ; ai aj ak al gromos type
644 N -C CA H gi_1
645 CA N C CB gi_2
646 C CA +N O gi_1
647 [ dihedrals ]
648 ; ai aj ak al gromos type
649 -CA -C N CA gd_14
650 -C N CA C gd_44
651 -C N CA C gd_43
652 N CA CB SG gd_34
653 N CA C +N gd_45
654 N CA C +N gd_42
656 [ GLN ]
657 [ atoms ]
658 N N -0.31000 0
659 H H 0.31000 0
660 CA CH1 0.00000 1
661 CB CH2 0.00000 1
662 CG CH2 0.00000 1
663 CD C 0.29000 2
664 OE1 O -0.45000 2
665 NE2 NT -0.72000 2
666 HE21 H 0.44000 2
667 HE22 H 0.44000 2
668 C C 0.450 3
669 O O -0.450 3
670 [ bonds ]
671 N H gb_2
672 N CA gb_21
673 CA CB gb_27
674 CA C gb_27
675 CB CG gb_27
676 CG CD gb_27
677 CD OE1 gb_5
678 CD NE2 gb_9
679 NE2 HE21 gb_2
680 NE2 HE22 gb_2
681 C O gb_5
682 C +N gb_10
683 [ angles ]
684 ; ai aj ak gromos type
685 -C N H ga_32
686 -C N CA ga_31
687 H N CA ga_18
688 N CA CB ga_13
689 N CA C ga_13
690 CB CA C ga_13
691 CA CB CG ga_15
692 CB CG CD ga_15
693 CG CD OE1 ga_30
694 CG CD NE2 ga_19
695 OE1 CD NE2 ga_33
696 CD NE2 HE21 ga_23
697 CD NE2 HE22 ga_23
698 HE21 NE2 HE22 ga_24
699 CA C O ga_30
700 CA C +N ga_19
701 O C +N ga_33
702 [ impropers ]
703 ; ai aj ak al gromos type
704 N -C CA H gi_1
705 CA N C CB gi_2
706 CD OE1 NE2 CG gi_1
707 NE2 HE21 HE22 CD gi_1
708 C CA +N O gi_1
709 [ dihedrals ]
710 ; ai aj ak al gromos type
711 -CA -C N CA gd_14
712 -C N CA C gd_44
713 -C N CA C gd_43
714 N CA CB CG gd_34
715 N CA C +N gd_45
716 N CA C +N gd_42
717 CA CB CG CD gd_34
718 CB CG CD NE2 gd_40
719 CG CD NE2 HE21 gd_14
721 [ GLU ]
722 [ atoms ]
723 N N -0.31000 0
724 H H 0.31000 0
725 CA CH1 0.00000 1
726 CB CH2 0.00000 1
727 CG CH2 0.00000 1
728 CD C 0.27000 2
729 OE1 OM -0.63500 2
730 OE2 OM -0.63500 2
731 C C 0.450 3
732 O O -0.450 3
733 [ bonds ]
734 N H gb_2
735 N CA gb_21
736 CA CB gb_27
737 CA C gb_27
738 CB CG gb_27
739 CG CD gb_27
740 CD OE1 gb_6
741 CD OE2 gb_6
742 C O gb_5
743 C +N gb_10
744 [ angles ]
745 ; ai aj ak gromos type
746 -C N H ga_32
747 -C N CA ga_31
748 H N CA ga_18
749 N CA CB ga_13
750 N CA C ga_13
751 CB CA C ga_13
752 CA CB CG ga_15
753 CB CG CD ga_15
754 CG CD OE1 ga_22
755 CG CD OE2 ga_22
756 OE1 CD OE2 ga_38
757 CA C O ga_30
758 CA C +N ga_19
759 O C +N ga_33
760 [ impropers ]
761 ; ai aj ak al gromos type
762 N -C CA H gi_1
763 CA N C CB gi_2
764 CD OE1 OE2 CG gi_1
765 C CA +N O gi_1
766 [ dihedrals ]
767 ; ai aj ak al gromos type
768 -CA -C N CA gd_14
769 -C N CA C gd_44
770 -C N CA C gd_43
771 N CA CB CG gd_34
772 N CA C +N gd_45
773 N CA C +N gd_42
774 CA CB CG CD gd_34
775 CB CG CD OE2 gd_40
777 [ GLUH ]
778 [ atoms ]
779 N N -0.31000 0
780 H H 0.31000 0
781 CA CH1 0.00000 1
782 CB CH2 0.00000 1
783 CG CH2 0.00000 1
784 CD C 0.33000 2
785 OE1 O -0.45000 2
786 OE2 OA -0.28800 2
787 HE2 H 0.40800 2
788 C C 0.450 3
789 O O -0.450 3
790 [ bonds ]
791 N H gb_2
792 N CA gb_21
793 CA CB gb_27
794 CA C gb_27
795 CB CG gb_27
796 CG CD gb_27
797 CD OE1 gb_5
798 CD OE2 gb_13
799 OE2 HE2 gb_1
800 C O gb_5
801 C +N gb_10
802 [ angles ]
803 ; ai aj ak gromos type
804 -C N H ga_32
805 -C N CA ga_31
806 H N CA ga_18
807 N CA CB ga_13
808 N CA C ga_13
809 CB CA C ga_13
810 CA CB CG ga_15
811 CB CG CD ga_15
812 CG CD OE1 ga_30
813 CG CD OE2 ga_19
814 OE1 CD OE2 ga_33
815 CD OE2 HE2 ga_12
816 CA C O ga_30
817 CA C +N ga_19
818 O C +N ga_33
819 [ impropers ]
820 ; ai aj ak al gromos type
821 N -C CA H gi_1
822 CA N C CB gi_2
823 CD OE1 OE2 CG gi_1
824 C CA +N O gi_1
825 [ dihedrals ]
826 ; ai aj ak al gromos type
827 -CA -C N CA gd_14
828 -C N CA C gd_44
829 -C N CA C gd_43
830 N CA CB CG gd_34
831 N CA C +N gd_45
832 N CA C +N gd_42
833 CA CB CG CD gd_34
834 CB CG CD OE2 gd_40
835 CG CD OE2 HE2 gd_12
837 [ GLY ]
838 [ atoms ]
839 N N -0.31000 0
840 H H 0.31000 0
841 CA CH2 0.00000 1
842 C C 0.450 2
843 O O -0.450 2
844 [ bonds ]
845 N H gb_2
846 N CA gb_21
847 CA C gb_27
848 C O gb_5
849 C +N gb_10
850 [ angles ]
851 ; ai aj ak gromos type
852 -C N H ga_32
853 -C N CA ga_31
854 H N CA ga_18
855 N CA C ga_13
856 CA C O ga_30
857 CA C +N ga_19
858 O C +N ga_33
859 [ impropers ]
860 ; ai aj ak al gromos type
861 N -C CA H gi_1
862 C CA +N O gi_1
863 [ dihedrals ]
864 ; ai aj ak al gromos type
865 -CA -C N CA gd_14
866 -C N CA C gd_44
867 -C N CA C gd_43
868 N CA C +N gd_45
869 N CA C +N gd_42
871 [ HISA ]
872 [ atoms ]
873 N N -0.31000 0
874 H H 0.31000 0
875 CA CH1 0.00000 1
876 CB CH2 0.00000 1
877 CG C 0.00000 2
878 ND1 NR -0.05000 2
879 HD1 H 0.31000 2
880 CD2 C 0.00000 2
881 HD2 HC 0.14000 2
882 CE1 C 0.00000 2
883 HE1 HC 0.14000 2
884 NE2 NR -0.54000 2
885 C C 0.450 3
886 O O -0.450 3
887 [ bonds ]
888 N H gb_2
889 N CA gb_21
890 CA CB gb_27
891 CA C gb_27
892 CB CG gb_27
893 CG ND1 gb_10
894 CG CD2 gb_10
895 ND1 HD1 gb_2
896 ND1 CE1 gb_10
897 CD2 HD2 gb_3
898 CD2 NE2 gb_10
899 CE1 HE1 gb_3
900 CE1 NE2 gb_10
901 C O gb_5
902 C +N gb_10
903 [ exclusions ]
904 ; ai aj
905 CB HD1
906 CB HD2
907 CB CE1
908 CB NE2
909 CG HE1
910 ND1 HD2
911 HD1 CD2
912 HD1 HE1
913 HD1 NE2
914 CD2 HE1
915 HD2 CE1
916 [ angles ]
917 ; ai aj ak gromos type
918 -C N H ga_32
919 -C N CA ga_31
920 H N CA ga_18
921 N CA CB ga_13
922 N CA C ga_13
923 CB CA C ga_13
924 CA CB CG ga_15
925 CB CG ND1 ga_37
926 CB CG CD2 ga_37
927 ND1 CG CD2 ga_7
928 CG ND1 HD1 ga_36
929 CG ND1 CE1 ga_7
930 HD1 ND1 CE1 ga_36
931 CG CD2 HD2 ga_36
932 CG CD2 NE2 ga_7
933 HD2 CD2 NE2 ga_36
934 ND1 CE1 HE1 ga_36
935 ND1 CE1 NE2 ga_7
936 HE1 CE1 NE2 ga_36
937 CD2 NE2 CE1 ga_7
938 CA C O ga_30
939 CA C +N ga_19
940 O C +N ga_33
941 [ impropers ]
942 ; ai aj ak al gromos type
943 N -C CA H gi_1
944 CA N C CB gi_2
945 CG ND1 CD2 CB gi_1
946 CG ND1 CE1 NE2 gi_1
947 CG CD2 NE2 CE1 gi_1
948 ND1 CG CD2 NE2 gi_1
949 ND1 CG CE1 HD1 gi_1
950 ND1 CE1 NE2 CD2 gi_1
951 CD2 CG ND1 CE1 gi_1
952 CD2 CG NE2 HD2 gi_1
953 CE1 ND1 NE2 HE1 gi_1
954 C CA +N O gi_1
955 [ dihedrals ]
956 ; ai aj ak al gromos type
957 -CA -C N CA gd_14
958 -C N CA C gd_44
959 -C N CA C gd_43
960 N CA CB CG gd_34
961 N CA C +N gd_45
962 N CA C +N gd_42
963 CA CB CG ND1 gd_40
965 [ HISB ]
966 [ atoms ]
967 N N -0.31000 0
968 H H 0.31000 0
969 CA CH1 0.00000 1
970 CB CH2 0.00000 1
971 CG C 0.00000 2
972 ND1 NR -0.54000 2
973 CD2 C 0.00000 2
974 HD2 HC 0.14000 2
975 CE1 C 0.00000 2
976 HE1 HC 0.14000 2
977 NE2 NR -0.05000 2
978 HE2 H 0.31000 2
979 C C 0.450 3
980 O O -0.450 3
981 [ bonds ]
982 N H gb_2
983 N CA gb_21
984 CA CB gb_27
985 CA C gb_27
986 CB CG gb_27
987 CG ND1 gb_10
988 CG CD2 gb_10
989 ND1 CE1 gb_10
990 CD2 HD2 gb_3
991 CD2 NE2 gb_10
992 CE1 HE1 gb_3
993 CE1 NE2 gb_10
994 NE2 HE2 gb_2
995 C O gb_5
996 C +N gb_10
997 [ exclusions ]
998 ; ai aj
999 CB HD2
1000 CB CE1
1001 CB NE2
1002 CG HE1
1003 CG HE2
1004 ND1 HD2
1005 ND1 HE2
1006 CD2 HE1
1007 HD2 CE1
1008 HD2 HE2
1009 HE1 HE2
1010 [ angles ]
1011 ; ai aj ak gromos type
1012 -C N H ga_32
1013 -C N CA ga_31
1014 H N CA ga_18
1015 N CA CB ga_13
1016 N CA C ga_13
1017 CB CA C ga_13
1018 CA CB CG ga_15
1019 CB CG ND1 ga_37
1020 CB CG CD2 ga_37
1021 ND1 CG CD2 ga_7
1022 CG ND1 CE1 ga_7
1023 CG CD2 HD2 ga_36
1024 CG CD2 NE2 ga_7
1025 HD2 CD2 NE2 ga_36
1026 ND1 CE1 HE1 ga_36
1027 ND1 CE1 NE2 ga_7
1028 HE1 CE1 NE2 ga_36
1029 CD2 NE2 CE1 ga_7
1030 CD2 NE2 HE2 ga_36
1031 CE1 NE2 HE2 ga_36
1032 CA C O ga_30
1033 CA C +N ga_19
1034 O C +N ga_33
1035 [ impropers ]
1036 ; ai aj ak al gromos type
1037 N -C CA H gi_1
1038 CA N C CB gi_2
1039 CG ND1 CD2 CB gi_1
1040 CG ND1 CE1 NE2 gi_1
1041 CG CD2 NE2 CE1 gi_1
1042 ND1 CG CD2 NE2 gi_1
1043 ND1 CE1 NE2 CD2 gi_1
1044 CD2 CG ND1 CE1 gi_1
1045 CD2 CG NE2 HD2 gi_1
1046 CE1 ND1 NE2 HE1 gi_1
1047 NE2 CD2 CE1 HE2 gi_1
1048 C CA +N O gi_1
1049 [ dihedrals ]
1050 ; ai aj ak al gromos type
1051 -CA -C N CA gd_14
1052 -C N CA C gd_44
1053 -C N CA C gd_43
1054 N CA CB CG gd_34
1055 N CA C +N gd_45
1056 N CA C +N gd_42
1057 CA CB CG ND1 gd_40
1059 [ HISH ]
1060 [ atoms ]
1061 N N -0.31000 0
1062 H H 0.31000 0
1063 CA CH1 0.00000 1
1064 CB CH2 0.00000 1
1065 CG C -0.05000 2
1066 ND1 NR 0.38000 2
1067 HD1 H 0.30000 2
1068 CD2 C -0.10000 2
1069 HD2 HC 0.10000 2
1070 CE1 C -0.34000 2
1071 HE1 HC 0.10000 2
1072 NE2 NR 0.31000 2
1073 HE2 H 0.30000 2
1074 C C 0.450 3
1075 O O -0.450 3
1076 [ bonds ]
1077 N H gb_2
1078 N CA gb_21
1079 CA CB gb_27
1080 CA C gb_27
1081 CB CG gb_27
1082 CG ND1 gb_10
1083 CG CD2 gb_10
1084 ND1 HD1 gb_2
1085 ND1 CE1 gb_10
1086 CD2 HD2 gb_3
1087 CD2 NE2 gb_10
1088 CE1 HE1 gb_3
1089 CE1 NE2 gb_10
1090 NE2 HE2 gb_2
1091 C O gb_5
1092 C +N gb_10
1093 [ exclusions ]
1094 ; ai aj
1095 CB HD1
1096 CB HD2
1097 CB CE1
1098 CB NE2
1099 CG HE1
1100 CG HE2
1101 ND1 HD2
1102 ND1 HE2
1103 HD1 CD2
1104 HD1 HE1
1105 HD1 NE2
1106 CD2 HE1
1107 HD2 CE1
1108 HD2 HE2
1109 HE1 HE2
1110 [ angles ]
1111 ; ai aj ak gromos type
1112 -C N H ga_32
1113 -C N CA ga_31
1114 H N CA ga_18
1115 N CA CB ga_13
1116 N CA C ga_13
1117 CB CA C ga_13
1118 CA CB CG ga_15
1119 CB CG ND1 ga_37
1120 CB CG CD2 ga_37
1121 ND1 CG CD2 ga_7
1122 CG ND1 HD1 ga_36
1123 CG ND1 CE1 ga_7
1124 HD1 ND1 CE1 ga_36
1125 CG CD2 HD2 ga_36
1126 CG CD2 NE2 ga_7
1127 HD2 CD2 NE2 ga_36
1128 ND1 CE1 HE1 ga_36
1129 ND1 CE1 NE2 ga_7
1130 HE1 CE1 NE2 ga_36
1131 CD2 NE2 CE1 ga_7
1132 CD2 NE2 HE2 ga_36
1133 CE1 NE2 HE2 ga_36
1134 CA C O ga_30
1135 CA C +N ga_19
1136 O C +N ga_33
1137 [ impropers ]
1138 ; ai aj ak al gromos type
1139 N -C CA H gi_1
1140 CA N C CB gi_2
1141 CG ND1 CD2 CB gi_1
1142 CG ND1 CE1 NE2 gi_1
1143 CG CD2 NE2 CE1 gi_1
1144 ND1 CG CD2 NE2 gi_1
1145 ND1 CG CE1 HD1 gi_1
1146 ND1 CE1 NE2 CD2 gi_1
1147 CD2 CG ND1 CE1 gi_1
1148 CD2 CG NE2 HD2 gi_1
1149 CE1 ND1 NE2 HE1 gi_1
1150 NE2 CD2 CE1 HE2 gi_1
1151 C CA +N O gi_1
1152 [ dihedrals ]
1153 ; ai aj ak al gromos type
1154 -CA -C N CA gd_14
1155 -C N CA C gd_44
1156 -C N CA C gd_43
1157 N CA CB CG gd_34
1158 N CA C +N gd_45
1159 N CA C +N gd_42
1160 CA CB CG ND1 gd_40
1162 [ HIS1 ]
1163 [ atoms ]
1164 N N -0.31000 0
1165 H H 0.31000 0
1166 CA CH1 0.00000 1
1167 CB CH2 0.00000 1
1168 CG C 0.00000 2
1169 ND1 NR -0.05000 2
1170 HD1 H 0.31000 2
1171 CD2 C 0.00000 2
1172 HD2 HC 0.14000 2
1173 CE1 C 0.00000 2
1174 HE1 HC 0.14000 2
1175 NE2 NR -0.54000 2
1176 C C 0.450 3
1177 O O -0.450 3
1178 [ bonds ]
1179 N H gb_2
1180 N CA gb_21
1181 CA CB gb_27
1182 CA C gb_27
1183 CB CG gb_27
1184 CG ND1 gb_10
1185 CG CD2 gb_10
1186 ND1 HD1 gb_2
1187 ND1 CE1 gb_10
1188 CD2 HD2 gb_3
1189 CD2 NE2 gb_10
1190 CE1 HE1 gb_3
1191 CE1 NE2 gb_10
1192 C O gb_5
1193 C +N gb_10
1194 [ exclusions ]
1195 ; ai aj
1196 CB HD1
1197 CB HD2
1198 CB CE1
1199 CB NE2
1200 CG HE1
1201 ND1 HD2
1202 HD1 CD2
1203 HD1 HE1
1204 HD1 NE2
1205 CD2 HE1
1206 HD2 CE1
1207 [ angles ]
1208 ; ai aj ak gromos type
1209 -CA -C NE2 ga_2
1210 -C N H ga_32
1211 -C N CA ga_31
1212 H N CA ga_18
1213 N CA CB ga_13
1214 N CA C ga_13
1215 CB CA C ga_13
1216 CA CB CG ga_15
1217 CB CG ND1 ga_37
1218 CB CG CD2 ga_37
1219 ND1 CG CD2 ga_7
1220 CG ND1 HD1 ga_36
1221 CG ND1 CE1 ga_7
1222 HD1 ND1 CE1 ga_36
1223 CG CD2 HD2 ga_36
1224 CG CD2 NE2 ga_7
1225 HD2 CD2 NE2 ga_36
1226 ND1 CE1 HE1 ga_36
1227 ND1 CE1 NE2 ga_7
1228 HE1 CE1 NE2 ga_36
1229 -C NE2 CD2 ga_34
1230 -C NE2 CE1 ga_34
1231 CD2 NE2 CE1 ga_7
1232 CA C O ga_30
1233 CA C +N ga_19
1234 O C +N ga_33
1235 [ impropers ]
1236 ; ai aj ak al gromos type
1237 N -C CA H gi_1
1238 CA N C CB gi_2
1239 CG ND1 CD2 CB gi_1
1240 CG ND1 CE1 NE2 gi_1
1241 CG CD2 NE2 CE1 gi_1
1242 ND1 CG CD2 NE2 gi_1
1243 ND1 CG CE1 HD1 gi_1
1244 ND1 CE1 NE2 CD2 gi_1
1245 CD2 CG ND1 CE1 gi_1
1246 CD2 CG NE2 HD2 gi_1
1247 CE1 ND1 NE2 HE1 gi_1
1248 C CA +N O gi_1
1249 [ dihedrals ]
1250 ; ai aj ak al gromos type
1251 -CA -C N CA gd_14
1252 -CA -C NE2 CD2 gd_38
1253 -C N CA C gd_44
1254 -C N CA C gd_43
1255 N CA CB CG gd_34
1256 N CA C +N gd_45
1257 N CA C +N gd_42
1258 CA CB CG ND1 gd_40
1260 [ HIS2 ]
1261 [ atoms ]
1262 N N -0.31000 0
1263 H H 0.31000 0
1264 CA CH1 0.00000 1
1265 CB CH2 0.00000 1
1266 CG C 0.00000 2
1267 ND1 NR -0.05000 2
1268 HD1 H 0.31000 2
1269 CD2 C 0.00000 2
1270 HD2 HC 0.14000 2
1271 CE1 C 0.00000 2
1272 HE1 HC 0.14000 2
1273 NE2 NR -0.54000 2
1274 C C 0.450 3
1275 O O -0.450 3
1276 [ bonds ]
1277 N H gb_2
1278 N CA gb_21
1279 CA CB gb_27
1280 CA C gb_27
1281 CB CG gb_27
1282 CG ND1 gb_10
1283 CG CD2 gb_10
1284 ND1 HD1 gb_2
1285 ND1 CE1 gb_10
1286 CD2 HD2 gb_3
1287 CD2 NE2 gb_10
1288 CE1 HE1 gb_3
1289 CE1 NE2 gb_10
1290 C O gb_5
1291 C +N gb_10
1292 [ exclusions ]
1293 ; ai aj
1294 CB HD1
1295 CB HD2
1296 CB CE1
1297 CB NE2
1298 CG HE1
1299 ND1 HD2
1300 HD1 CD2
1301 HD1 HE1
1302 HD1 NE2
1303 CD2 HE1
1304 HD2 CE1
1305 [ angles ]
1306 ; ai aj ak gromos type
1307 -CA -C NE2 ga_2
1308 -C N H ga_32
1309 -C N CA ga_31
1310 H N CA ga_18
1311 N CA CB ga_13
1312 N CA C ga_13
1313 CB CA C ga_13
1314 CA CB CG ga_15
1315 CB CG ND1 ga_37
1316 CB CG CD2 ga_37
1317 ND1 CG CD2 ga_7
1318 CG ND1 HD1 ga_36
1319 CG ND1 CE1 ga_7
1320 HD1 ND1 CE1 ga_36
1321 CG CD2 HD2 ga_36
1322 CG CD2 NE2 ga_7
1323 HD2 CD2 NE2 ga_36
1324 ND1 CE1 HE1 ga_36
1325 ND1 CE1 NE2 ga_7
1326 HE1 CE1 NE2 ga_36
1327 -C NE2 CD2 ga_34
1328 -C NE2 CE1 ga_34
1329 CD2 NE2 CE1 ga_7
1330 CA C O ga_30
1331 CA C +N ga_19
1332 O C +N ga_33
1333 [ impropers ]
1334 ; ai aj ak al gromos type
1335 N -C CA H gi_1
1336 CA N C CB gi_2
1337 CG ND1 CD2 CB gi_1
1338 CG ND1 CE1 NE2 gi_1
1339 CG CD2 NE2 CE1 gi_1
1340 ND1 CG CD2 NE2 gi_1
1341 ND1 CG CE1 HD1 gi_1
1342 ND1 CE1 NE2 CD2 gi_1
1343 CD2 CG ND1 CE1 gi_1
1344 CD2 CG NE2 HD2 gi_1
1345 CE1 ND1 NE2 HE1 gi_1
1346 C CA +N O gi_1
1347 [ dihedrals ]
1348 ; ai aj ak al gromos type
1349 -CA -C N CA gd_14
1350 -CA -C NE2 CD2 gd_38
1351 -C N CA C gd_44
1352 -C N CA C gd_43
1353 N CA CB CG gd_34
1354 N CA C +N gd_45
1355 N CA C +N gd_42
1356 CA CB CG ND1 gd_40
1358 [ HYP ]
1359 [ atoms ]
1360 N N 0.00000 0
1361 CA CH1 0.00000 1
1362 CB CH2r 0.00000 1
1363 CG CH1 0.26600 2
1364 OD1 OA -0.67400 2
1365 HD1 H 0.40800 2
1366 CD2 CH2r 0.00000 3
1367 C C 0.450 4
1368 O O -0.450 4
1369 [ bonds ]
1370 N CA gb_21
1371 N CD2 gb_21
1372 CA CB gb_27
1373 CA C gb_27
1374 CB CG gb_27
1375 CG OD1 gb_18
1376 CG CD2 gb_27
1377 OD1 HD1 gb_1
1378 C O gb_5
1379 C +N gb_10
1380 [ angles ]
1381 ; ai aj ak gromos type
1382 -C N CA ga_31
1383 -C N CD2 ga_31
1384 CA N CD2 ga_21
1385 N CA CB ga_13
1386 N CA C ga_13
1387 CB CA C ga_13
1388 CA CB CG ga_13
1389 CB CG OD1 ga_13
1390 CB CG CD2 ga_13
1391 OD1 CG CD2 ga_13
1392 CG OD1 HD1 ga_12
1393 N CD2 CG ga_13
1394 CA C O ga_30
1395 CA C +N ga_19
1396 O C +N ga_33
1397 [ impropers ]
1398 ; ai aj ak al gromos type
1399 N -C CA CD2 gi_1
1400 CA N C CB gi_2
1401 OD1 CB CD2 CG gi_2
1402 C CA +N O gi_1
1403 [ dihedrals ]
1404 ; ai aj ak al gromos type
1405 -CA -C N CA gd_14
1406 -C N CA C gd_44
1407 -C N CA C gd_43
1408 CA N CD2 CG gd_39
1409 N CA CB CG gd_34
1410 N CA C +N gd_45
1411 N CA C +N gd_42
1412 CA CB CG CD2 gd_34
1413 CB CG OD1 HD1 gd_23
1414 CB CG CD2 N gd_34
1416 [ ILE ]
1417 [ atoms ]
1418 N N -0.31000 0
1419 H H 0.31000 0
1420 CA CH1 0.00000 1
1421 CB CH1 0.00000 2
1422 CG1 CH2 0.00000 2
1423 CG2 CH3 0.00000 2
1424 CD CH3 0.00000 2
1425 C C 0.450 3
1426 O O -0.450 3
1427 [ bonds ]
1428 N H gb_2
1429 N CA gb_21
1430 CA CB gb_27
1431 CA C gb_27
1432 CB CG1 gb_27
1433 CB CG2 gb_27
1434 CG1 CD gb_27
1435 C O gb_5
1436 C +N gb_10
1437 [ angles ]
1438 ; ai aj ak gromos type
1439 -C N H ga_32
1440 -C N CA ga_31
1441 H N CA ga_18
1442 N CA CB ga_13
1443 N CA C ga_13
1444 CB CA C ga_13
1445 CA CB CG1 ga_15
1446 CA CB CG2 ga_15
1447 CG1 CB CG2 ga_15
1448 CB CG1 CD ga_15
1449 CA C O ga_30
1450 CA C +N ga_19
1451 O C +N ga_33
1452 [ impropers ]
1453 ; ai aj ak al gromos type
1454 N -C CA H gi_1
1455 CA N C CB gi_2
1456 CB CG1 CG2 CA gi_2
1457 C CA +N O gi_1
1458 [ dihedrals ]
1459 ; ai aj ak al gromos type
1460 -CA -C N CA gd_14
1461 -C N CA C gd_44
1462 -C N CA C gd_43
1463 N CA CB CG1 gd_34
1464 N CA C +N gd_45
1465 N CA C +N gd_42
1466 CA CB CG1 CD gd_34
1468 [ LEU ]
1469 [ atoms ]
1470 N N -0.31000 0
1471 H H 0.31000 0
1472 CA CH1 0.00000 1
1473 CB CH2 0.00000 1
1474 CG CH1 0.00000 2
1475 CD1 CH3 0.00000 2
1476 CD2 CH3 0.00000 2
1477 C C 0.450 3
1478 O O -0.450 3
1479 [ bonds ]
1480 N H gb_2
1481 N CA gb_21
1482 CA CB gb_27
1483 CA C gb_27
1484 CB CG gb_27
1485 CG CD1 gb_27
1486 CG CD2 gb_27
1487 C O gb_5
1488 C +N gb_10
1489 [ angles ]
1490 ; ai aj ak gromos type
1491 -C N H ga_32
1492 -C N CA ga_31
1493 H N CA ga_18
1494 N CA CB ga_13
1495 N CA C ga_13
1496 CB CA C ga_13
1497 CA CB CG ga_15
1498 CB CG CD1 ga_15
1499 CB CG CD2 ga_15
1500 CD1 CG CD2 ga_15
1501 CA C O ga_30
1502 CA C +N ga_19
1503 O C +N ga_33
1504 [ impropers ]
1505 ; ai aj ak al gromos type
1506 N -C CA H gi_1
1507 CA N C CB gi_2
1508 CB CD1 CD2 CG gi_2
1509 C CA +N O gi_1
1510 [ dihedrals ]
1511 ; ai aj ak al gromos type
1512 -CA -C N CA gd_14
1513 -C N CA C gd_44
1514 -C N CA C gd_43
1515 N CA CB CG gd_34
1516 N CA C +N gd_45
1517 N CA C +N gd_42
1518 CA CB CG CD1 gd_34
1520 [ LYS ]
1521 [ atoms ]
1522 N N -0.31000 0
1523 H H 0.31000 0
1524 CA CH1 0.00000 1
1525 CB CH2 0.00000 1
1526 CG CH2 0.00000 2
1527 CD CH2 0.00000 2
1528 CE CH2 -0.24000 3
1529 NZ NT -0.64000 3
1530 HZ1 H 0.44000 3
1531 HZ2 H 0.44000 3
1532 C C 0.450 4
1533 O O -0.450 4
1534 [ bonds ]
1535 N H gb_2
1536 N CA gb_21
1537 CA CB gb_27
1538 CA C gb_27
1539 CB CG gb_27
1540 CG CD gb_27
1541 CD CE gb_27
1542 CE NZ gb_21
1543 NZ HZ1 gb_2
1544 NZ HZ2 gb_2
1545 C O gb_5
1546 C +N gb_10
1547 [ angles ]
1548 ; ai aj ak gromos type
1549 -C N H ga_32
1550 -C N CA ga_31
1551 H N CA ga_18
1552 N CA CB ga_13
1553 N CA C ga_13
1554 CB CA C ga_13
1555 CA CB CG ga_15
1556 CB CG CD ga_15
1557 CG CD CE ga_15
1558 CD CE NZ ga_15
1559 CE NZ HZ1 ga_11
1560 CE NZ HZ2 ga_11
1561 HZ1 NZ HZ2 ga_10
1562 CA C O ga_30
1563 CA C +N ga_19
1564 O C +N ga_33
1565 [ impropers ]
1566 ; ai aj ak al gromos type
1567 N -C CA H gi_1
1568 CA N C CB gi_2
1569 C CA +N O gi_1
1570 [ dihedrals ]
1571 ; ai aj ak al gromos type
1572 -CA -C N CA gd_14
1573 -C N CA C gd_44
1574 -C N CA C gd_43
1575 N CA CB CG gd_34
1576 N CA C +N gd_45
1577 N CA C +N gd_42
1578 CA CB CG CD gd_34
1579 CB CG CD CE gd_34
1580 CG CD CE NZ gd_34
1581 CD CE NZ HZ1 gd_29
1583 [ LYSH ]
1584 [ atoms ]
1585 N N -0.31000 0
1586 H H 0.31000 0
1587 CA CH1 0.00000 1
1588 CB CH2 0.00000 1
1589 CG CH2 0.00000 2
1590 CD CH2 0.00000 2
1591 CE CH2 0.12700 3
1592 NZ NL 0.12900 3
1593 HZ1 H 0.24800 3
1594 HZ2 H 0.24800 3
1595 HZ3 H 0.24800 3
1596 C C 0.450 4
1597 O O -0.450 4
1598 [ bonds ]
1599 N H gb_2
1600 N CA gb_21
1601 CA CB gb_27
1602 CA C gb_27
1603 CB CG gb_27
1604 CG CD gb_27
1605 CD CE gb_27
1606 CE NZ gb_21
1607 NZ HZ1 gb_2
1608 NZ HZ2 gb_2
1609 NZ HZ3 gb_2
1610 C O gb_5
1611 C +N gb_10
1612 [ angles ]
1613 ; ai aj ak gromos type
1614 -C N H ga_32
1615 -C N CA ga_31
1616 H N CA ga_18
1617 N CA CB ga_13
1618 N CA C ga_13
1619 CB CA C ga_13
1620 CA CB CG ga_15
1621 CB CG CD ga_15
1622 CG CD CE ga_15
1623 CD CE NZ ga_15
1624 CE NZ HZ1 ga_11
1625 CE NZ HZ2 ga_11
1626 CE NZ HZ3 ga_11
1627 HZ1 NZ HZ2 ga_10
1628 HZ1 NZ HZ3 ga_10
1629 HZ2 NZ HZ3 ga_10
1630 CA C O ga_30
1631 CA C +N ga_19
1632 O C +N ga_33
1633 [ impropers ]
1634 ; ai aj ak al gromos type
1635 N -C CA H gi_1
1636 CA N C CB gi_2
1637 C CA +N O gi_1
1638 [ dihedrals ]
1639 ; ai aj ak al gromos type
1640 -CA -C N CA gd_14
1641 -C N CA C gd_44
1642 -C N CA C gd_43
1643 N CA CB CG gd_34
1644 N CA C +N gd_45
1645 N CA C +N gd_42
1646 CA CB CG CD gd_34
1647 CB CG CD CE gd_34
1648 CG CD CE NZ gd_34
1649 CD CE NZ HZ1 gd_29
1651 [ MET ]
1652 [ atoms ]
1653 N N -0.31000 0
1654 H H 0.31000 0
1655 CA CH1 0.00000 1
1656 CB CH2 0.00000 1
1657 CG CH2 0.24100 2
1658 SD S -0.48200 2
1659 CE CH3 0.24100 2
1660 C C 0.450 3
1661 O O -0.450 3
1662 [ bonds ]
1663 N H gb_2
1664 N CA gb_21
1665 CA CB gb_27
1666 CA C gb_27
1667 CB CG gb_27
1668 CG SD gb_32
1669 SD CE gb_31
1670 C O gb_5
1671 C +N gb_10
1672 [ angles ]
1673 ; ai aj ak gromos type
1674 -C N H ga_32
1675 -C N CA ga_31
1676 H N CA ga_18
1677 N CA CB ga_13
1678 N CA C ga_13
1679 CB CA C ga_13
1680 CA CB CG ga_15
1681 CB CG SD ga_16
1682 CG SD CE ga_4
1683 CA C O ga_30
1684 CA C +N ga_19
1685 O C +N ga_33
1686 [ impropers ]
1687 ; ai aj ak al gromos type
1688 N -C CA H gi_1
1689 CA N C CB gi_2
1690 C CA +N O gi_1
1691 [ dihedrals ]
1692 ; ai aj ak al gromos type
1693 -CA -C N CA gd_14
1694 -C N CA C gd_44
1695 -C N CA C gd_43
1696 N CA CB CG gd_34
1697 N CA C +N gd_45
1698 N CA C +N gd_42
1699 CA CB CG SD gd_34
1700 CB CG SD CE gd_26
1702 [ PHE ]
1703 [ atoms ]
1704 N N -0.31000 0
1705 H H 0.31000 0
1706 CA CH1 0.00000 1
1707 CB CH2 0.00000 1
1708 CG C 0.00000 1
1709 CD1 C -0.14000 2
1710 HD1 HC 0.14000 2
1711 CD2 C -0.14000 3
1712 HD2 HC 0.14000 3
1713 CE1 C -0.14000 4
1714 HE1 HC 0.14000 4
1715 CE2 C -0.14000 5
1716 HE2 HC 0.14000 5
1717 CZ C -0.14000 6
1718 HZ HC 0.14000 6
1719 C C 0.450 7
1720 O O -0.450 7
1721 [ bonds ]
1722 N H gb_2
1723 N CA gb_21
1724 CA CB gb_27
1725 CA C gb_27
1726 CB CG gb_27
1727 CG CD1 gb_16
1728 CG CD2 gb_16
1729 CD1 HD1 gb_3
1730 CD1 CE1 gb_16
1731 CD2 HD2 gb_3
1732 CD2 CE2 gb_16
1733 CE1 HE1 gb_3
1734 CE1 CZ gb_16
1735 CE2 HE2 gb_3
1736 CE2 CZ gb_16
1737 CZ HZ gb_3
1738 C O gb_5
1739 C +N gb_10
1740 [ exclusions ]
1741 ; ai aj
1742 CB HD1
1743 CB HD2
1744 CB CE1
1745 CB CE2
1746 CG HE1
1747 CG HE2
1748 CG CZ
1749 CD1 HD2
1750 CD1 CE2
1751 CD1 HZ
1752 HD1 CD2
1753 HD1 HE1
1754 HD1 CZ
1755 CD2 CE1
1756 CD2 HZ
1757 HD2 HE2
1758 HD2 CZ
1759 CE1 HE2
1760 HE1 CE2
1761 HE1 HZ
1762 HE2 HZ
1763 [ angles ]
1764 ; ai aj ak gromos type
1765 -C N H ga_32
1766 -C N CA ga_31
1767 H N CA ga_18
1768 N CA CB ga_13
1769 N CA C ga_13
1770 CB CA C ga_13
1771 CA CB CG ga_15
1772 CB CG CD1 ga_27
1773 CB CG CD2 ga_27
1774 CD1 CG CD2 ga_27
1775 CG CD1 HD1 ga_25
1776 CG CD1 CE1 ga_27
1777 HD1 CD1 CE1 ga_25
1778 CG CD2 HD2 ga_25
1779 CG CD2 CE2 ga_27
1780 HD2 CD2 CE2 ga_25
1781 CD1 CE1 HE1 ga_25
1782 CD1 CE1 CZ ga_27
1783 HE1 CE1 CZ ga_25
1784 CD2 CE2 HE2 ga_25
1785 CD2 CE2 CZ ga_27
1786 HE2 CE2 CZ ga_25
1787 CE1 CZ CE2 ga_27
1788 CE1 CZ HZ ga_25
1789 CE2 CZ HZ ga_25
1790 CA C O ga_30
1791 CA C +N ga_19
1792 O C +N ga_33
1793 [ impropers ]
1794 ; ai aj ak al gromos type
1795 N -C CA H gi_1
1796 CA N C CB gi_2
1797 CG CD1 CD2 CB gi_1
1798 CG CD1 CE1 CZ gi_1
1799 CG CD2 CE2 CZ gi_1
1800 CD1 CG CD2 CE2 gi_1
1801 CD1 CG CE1 HD1 gi_1
1802 CD1 CE1 CZ CE2 gi_1
1803 CD2 CG CD1 CE1 gi_1
1804 CD2 CG CE2 HD2 gi_1
1805 CD2 CE2 CZ CE1 gi_1
1806 HE1 CD1 CZ CE1 gi_1
1807 HE2 CD2 CZ CE2 gi_1
1808 CZ CE1 CE2 HZ gi_1
1809 C CA +N O gi_1
1810 [ dihedrals ]
1811 ; ai aj ak al gromos type
1812 -CA -C N CA gd_14
1813 -C N CA C gd_44
1814 -C N CA C gd_43
1815 N CA CB CG gd_34
1816 N CA C +N gd_45
1817 N CA C +N gd_42
1818 CA CB CG CD1 gd_40
1820 [ PRO ]
1821 [ atoms ]
1822 N N 0.00000 0
1823 CA CH1 0.00000 1
1824 CB CH2r 0.00000 1
1825 CG CH2r 0.00000 2
1826 CD CH2r 0.00000 2
1827 C C 0.450 3
1828 O O -0.450 3
1829 [ bonds ]
1830 N CA gb_21
1831 N CD gb_21
1832 CA CB gb_27
1833 CA C gb_27
1834 CB CG gb_27
1835 CG CD gb_27
1836 C O gb_5
1837 C +N gb_10
1838 [ angles ]
1839 ; ai aj ak gromos type
1840 -C N CA ga_31
1841 -C N CD ga_31
1842 CA N CD ga_21
1843 N CA CB ga_13
1844 N CA C ga_13
1845 CB CA C ga_13
1846 CA CB CG ga_13
1847 CB CG CD ga_13
1848 N CD CG ga_13
1849 CA C O ga_30
1850 CA C +N ga_19
1851 O C +N ga_33
1852 [ impropers ]
1853 ; ai aj ak al gromos type
1854 N -C CA CD gi_1
1855 CA N C CB gi_2
1856 C CA +N O gi_1
1857 [ dihedrals ]
1858 ; ai aj ak al gromos type
1859 -CA -C N CA gd_14
1860 -C N CA C gd_44
1861 -C N CA C gd_43
1862 CA N CD CG gd_39
1863 N CA CB CG gd_34
1864 N CA C +N gd_45
1865 N CA C +N gd_42
1866 CA CB CG CD gd_34
1867 CB CG CD N gd_34
1869 [ SER ]
1870 [ atoms ]
1871 N N -0.31000 0
1872 H H 0.31000 0
1873 CA CH1 0.00000 1
1874 CB CH2 0.26600 2
1875 OG OA -0.67400 2
1876 HG H 0.40800 2
1877 C C 0.450 3
1878 O O -0.450 3
1879 [ bonds ]
1880 N H gb_2
1881 N CA gb_21
1882 CA CB gb_27
1883 CA C gb_27
1884 CB OG gb_18
1885 OG HG gb_1
1886 C O gb_5
1887 C +N gb_10
1888 [ angles ]
1889 ; ai aj ak gromos type
1890 -C N H ga_32
1891 -C N CA ga_31
1892 H N CA ga_18
1893 N CA CB ga_13
1894 N CA C ga_13
1895 CB CA C ga_13
1896 CA CB OG ga_13
1897 CB OG HG ga_12
1898 CA C O ga_30
1899 CA C +N ga_19
1900 O C +N ga_33
1901 [ impropers ]
1902 ; ai aj ak al gromos type
1903 N -C CA H gi_1
1904 CA N C CB gi_2
1905 C CA +N O gi_1
1906 [ dihedrals ]
1907 ; ai aj ak al gromos type
1908 -CA -C N CA gd_14
1909 -C N CA C gd_44
1910 -C N CA C gd_43
1911 N CA CB OG gd_34
1912 N CA C +N gd_45
1913 N CA C +N gd_42
1914 CA CB OG HG gd_23
1916 [ THR ]
1917 [ atoms ]
1918 N N -0.31000 0
1919 H H 0.31000 0
1920 CA CH1 0.00000 1
1921 CB CH1 0.26600 2
1922 OG1 OA -0.67400 2
1923 HG1 H 0.40800 2
1924 CG2 CH3 0.00000 3
1925 C C 0.450 4
1926 O O -0.450 4
1927 [ bonds ]
1928 N H gb_2
1929 N CA gb_21
1930 CA CB gb_27
1931 CA C gb_27
1932 CB OG1 gb_18
1933 CB CG2 gb_27
1934 OG1 HG1 gb_1
1935 C O gb_5
1936 C +N gb_10
1937 [ angles ]
1938 ; ai aj ak gromos type
1939 -C N H ga_32
1940 -C N CA ga_31
1941 H N CA ga_18
1942 N CA CB ga_13
1943 N CA C ga_13
1944 CB CA C ga_13
1945 CA CB OG1 ga_13
1946 CA CB CG2 ga_15
1947 OG1 CB CG2 ga_15
1948 CB OG1 HG1 ga_12
1949 CA C O ga_30
1950 CA C +N ga_19
1951 O C +N ga_33
1952 [ impropers ]
1953 ; ai aj ak al gromos type
1954 N -C CA H gi_1
1955 CA N C CB gi_2
1956 CB OG1 CG2 CA gi_2
1957 C CA +N O gi_1
1958 [ dihedrals ]
1959 ; ai aj ak al gromos type
1960 -CA -C N CA gd_14
1961 -C N CA C gd_44
1962 -C N CA C gd_43
1963 N CA CB OG1 gd_34
1964 N CA C +N gd_45
1965 N CA C +N gd_42
1966 CA CB OG1 HG1 gd_23
1968 [ TRP ]
1969 [ atoms ]
1970 N N -0.31000 0
1971 H H 0.31000 0
1972 CA CH1 0.00000 1
1973 CB CH2 0.00000 1
1974 CG C -0.21000 2
1975 CD1 C -0.14000 2
1976 HD1 HC 0.14000 2
1977 CD2 C 0.00000 2
1978 NE1 NR -0.10000 2
1979 HE1 H 0.31000 2
1980 CE2 C 0.00000 2
1981 CE3 C -0.14000 3
1982 HE3 HC 0.14000 3
1983 CZ2 C -0.14000 4
1984 HZ2 HC 0.14000 4
1985 CZ3 C -0.14000 5
1986 HZ3 HC 0.14000 5
1987 CH2 C -0.14000 6
1988 HH2 HC 0.14000 6
1989 C C 0.450 7
1990 O O -0.450 7
1991 [ bonds ]
1992 N H gb_2
1993 N CA gb_21
1994 CA CB gb_27
1995 CA C gb_27
1996 CB CG gb_27
1997 CG CD1 gb_10
1998 CG CD2 gb_16
1999 CD1 HD1 gb_3
2000 CD1 NE1 gb_10
2001 CD2 CE2 gb_16
2002 CD2 CE3 gb_16
2003 NE1 HE1 gb_2
2004 NE1 CE2 gb_10
2005 CE2 CZ2 gb_16
2006 CE3 HE3 gb_3
2007 CE3 CZ3 gb_16
2008 CZ2 HZ2 gb_3
2009 CZ2 CH2 gb_16
2010 CZ3 HZ3 gb_3
2011 CZ3 CH2 gb_16
2012 CH2 HH2 gb_3
2013 C O gb_5
2014 C +N gb_10
2015 [ exclusions ]
2016 ; ai aj
2017 CB HD1
2018 CB NE1
2019 CB CE2
2020 CB CE3
2021 CG HE1
2022 CG HE3
2023 CG CZ2
2024 CG CZ3
2025 CD1 CE3
2026 CD1 CZ2
2027 HD1 CD2
2028 HD1 HE1
2029 HD1 CE2
2030 CD2 HE1
2031 CD2 HZ2
2032 CD2 HZ3
2033 CD2 CH2
2034 NE1 CE3
2035 NE1 HZ2
2036 NE1 CH2
2037 HE1 CZ2
2038 CE2 HE3
2039 CE2 CZ3
2040 CE2 HH2
2041 CE3 CZ2
2042 CE3 HH2
2043 HE3 HZ3
2044 HE3 CH2
2045 CZ2 HZ3
2046 HZ2 CZ3
2047 HZ2 HH2
2048 HZ3 HH2
2049 [ angles ]
2050 ; ai aj ak gromos type
2051 -C N H ga_32
2052 -C N CA ga_31
2053 H N CA ga_18
2054 N CA CB ga_13
2055 N CA C ga_13
2056 CB CA C ga_13
2057 CA CB CG ga_15
2058 CB CG CD1 ga_37
2059 CB CG CD2 ga_37
2060 CD1 CG CD2 ga_7
2061 CG CD1 HD1 ga_36
2062 CG CD1 NE1 ga_7
2063 HD1 CD1 NE1 ga_36
2064 CG CD2 CE2 ga_7
2065 CG CD2 CE3 ga_39
2066 CE2 CD2 CE3 ga_27
2067 CD1 NE1 HE1 ga_36
2068 CD1 NE1 CE2 ga_7
2069 HE1 NE1 CE2 ga_36
2070 CD2 CE2 NE1 ga_7
2071 CD2 CE2 CZ2 ga_27
2072 NE1 CE2 CZ2 ga_39
2073 CD2 CE3 HE3 ga_25
2074 CD2 CE3 CZ3 ga_27
2075 HE3 CE3 CZ3 ga_25
2076 CE2 CZ2 HZ2 ga_25
2077 CE2 CZ2 CH2 ga_27
2078 HZ2 CZ2 CH2 ga_25
2079 CE3 CZ3 HZ3 ga_25
2080 CE3 CZ3 CH2 ga_27
2081 HZ3 CZ3 CH2 ga_25
2082 CZ2 CH2 CZ3 ga_27
2083 CZ2 CH2 HH2 ga_25
2084 CZ3 CH2 HH2 ga_25
2085 CA C O ga_30
2086 CA C +N ga_19
2087 O C +N ga_33
2088 [ impropers ]
2089 ; ai aj ak al gromos type
2090 N -C CA H gi_1
2091 CA N C CB gi_2
2092 CG CD1 CD2 CB gi_1
2093 CG CD1 NE1 CE2 gi_1
2094 CG CD2 CE2 NE1 gi_1
2095 CD1 CG CD2 CE2 gi_1
2096 CD1 CG NE1 HD1 gi_1
2097 CD1 NE1 CE2 CD2 gi_1
2098 CD2 CG CD1 NE1 gi_1
2099 CD2 CE2 CE3 CG gi_1
2100 CD2 CE2 CZ2 CH2 gi_1
2101 CD2 CE3 CZ3 CH2 gi_1
2102 NE1 CD1 CE2 HE1 gi_1
2103 CE2 CD2 CE3 CZ3 gi_1
2104 CE2 CD2 CZ2 NE1 gi_1
2105 CE2 CZ2 CH2 CZ3 gi_1
2106 CE3 CD2 CE2 CZ2 gi_1
2107 CE3 CD2 CZ3 HE3 gi_1
2108 CE3 CZ3 CH2 CZ2 gi_1
2109 CZ2 CE2 CH2 HZ2 gi_1
2110 CZ3 CE3 CH2 HZ3 gi_1
2111 CH2 CZ2 CZ3 HH2 gi_1
2112 C CA +N O gi_1
2113 [ dihedrals ]
2114 ; ai aj ak al gromos type
2115 -CA -C N CA gd_14
2116 -C N CA C gd_44
2117 -C N CA C gd_43
2118 N CA CB CG gd_34
2119 N CA C +N gd_45
2120 N CA C +N gd_42
2121 CA CB CG CD2 gd_40
2123 [ TYR ]
2124 [ atoms ]
2125 N N -0.31000 0
2126 H H 0.31000 0
2127 CA CH1 0.00000 1
2128 CB CH2 0.00000 1
2129 CG C 0.00000 1
2130 CD1 C -0.14000 2
2131 HD1 HC 0.14000 2
2132 CD2 C -0.14000 3
2133 HD2 HC 0.14000 3
2134 CE1 C -0.14000 4
2135 HE1 HC 0.14000 4
2136 CE2 C -0.14000 5
2137 HE2 HC 0.14000 5
2138 CZ C 0.20300 6
2139 OH OA -0.61100 6
2140 HH H 0.40800 6
2141 C C 0.450 7
2142 O O -0.450 7
2143 [ bonds ]
2144 N H gb_2
2145 N CA gb_21
2146 CA CB gb_27
2147 CA C gb_27
2148 CB CG gb_27
2149 CG CD1 gb_16
2150 CG CD2 gb_16
2151 CD1 HD1 gb_3
2152 CD1 CE1 gb_16
2153 CD2 HD2 gb_3
2154 CD2 CE2 gb_16
2155 CE1 HE1 gb_3
2156 CE1 CZ gb_16
2157 CE2 HE2 gb_3
2158 CE2 CZ gb_16
2159 CZ OH gb_13
2160 OH HH gb_1
2161 C O gb_5
2162 C +N gb_10
2163 [ exclusions ]
2164 ; ai aj
2165 CB HD1
2166 CB HD2
2167 CB CE1
2168 CB CE2
2169 CG HE1
2170 CG HE2
2171 CG CZ
2172 CD1 HD2
2173 CD1 CE2
2174 CD1 OH
2175 HD1 CD2
2176 HD1 HE1
2177 HD1 CZ
2178 CD2 CE1
2179 CD2 OH
2180 HD2 HE2
2181 HD2 CZ
2182 CE1 HE2
2183 HE1 CE2
2184 HE1 OH
2185 HE2 OH
2186 [ angles ]
2187 ; ai aj ak gromos type
2188 -C N H ga_32
2189 -C N CA ga_31
2190 H N CA ga_18
2191 N CA CB ga_13
2192 N CA C ga_13
2193 CB CA C ga_13
2194 CA CB CG ga_15
2195 CB CG CD1 ga_27
2196 CB CG CD2 ga_27
2197 CD1 CG CD2 ga_27
2198 CG CD1 HD1 ga_25
2199 CG CD1 CE1 ga_27
2200 HD1 CD1 CE1 ga_25
2201 CG CD2 HD2 ga_25
2202 CG CD2 CE2 ga_27
2203 HD2 CD2 CE2 ga_25
2204 CD1 CE1 HE1 ga_25
2205 CD1 CE1 CZ ga_27
2206 HE1 CE1 CZ ga_25
2207 CD2 CE2 HE2 ga_25
2208 CD2 CE2 CZ ga_27
2209 HE2 CE2 CZ ga_25
2210 CE1 CZ CE2 ga_27
2211 CE1 CZ OH ga_27
2212 CE2 CZ OH ga_27
2213 CZ OH HH ga_12
2214 CA C O ga_30
2215 CA C +N ga_19
2216 O C +N ga_33
2217 [ impropers ]
2218 ; ai aj ak al gromos type
2219 N -C CA H gi_1
2220 CA N C CB gi_2
2221 CG CD1 CD2 CB gi_1
2222 CG CD1 CE1 CZ gi_1
2223 CG CD2 CE2 CZ gi_1
2224 CD1 CG CD2 CE2 gi_1
2225 CD1 CG CE1 HD1 gi_1
2226 CD1 CE1 CZ CE2 gi_1
2227 CD2 CG CD1 CE1 gi_1
2228 CD2 CG CE2 HD2 gi_1
2229 CD2 CE2 CZ CE1 gi_1
2230 HE1 CD1 CZ CE1 gi_1
2231 HE2 CD2 CZ CE2 gi_1
2232 CZ CE1 CE2 OH gi_1
2233 C CA +N O gi_1
2234 [ dihedrals ]
2235 ; ai aj ak al gromos type
2236 -CA -C N CA gd_14
2237 -C N CA C gd_44
2238 -C N CA C gd_43
2239 N CA CB CG gd_34
2240 N CA C +N gd_45
2241 N CA C +N gd_42
2242 CA CB CG CD1 gd_40
2243 CE1 CZ OH HH gd_11
2245 [ VAL ]
2246 [ atoms ]
2247 N N -0.31000 0
2248 H H 0.31000 0
2249 CA CH1 0.00000 1
2250 CB CH1 0.00000 1
2251 CG1 CH3 0.00000 1
2252 CG2 CH3 0.00000 1
2253 C C 0.450 2
2254 O O -0.450 2
2255 [ bonds ]
2256 N H gb_2
2257 N CA gb_21
2258 CA CB gb_27
2259 CA C gb_27
2260 CB CG1 gb_27
2261 CB CG2 gb_27
2262 C O gb_5
2263 C +N gb_10
2264 [ angles ]
2265 ; ai aj ak gromos type
2266 -C N H ga_32
2267 -C N CA ga_31
2268 H N CA ga_18
2269 N CA CB ga_13
2270 N CA C ga_13
2271 CB CA C ga_13
2272 CA CB CG1 ga_15
2273 CA CB CG2 ga_15
2274 CG1 CB CG2 ga_15
2275 CA C O ga_30
2276 CA C +N ga_19
2277 O C +N ga_33
2278 [ impropers ]
2279 ; ai aj ak al gromos type
2280 N -C CA H gi_1
2281 CA N C CB gi_2
2282 CA CG1 CG2 CB gi_2
2283 C CA +N O gi_1
2284 [ dihedrals ]
2285 ; ai aj ak al gromos type
2286 -CA -C N CA gd_14
2287 -C N CA C gd_44
2288 -C N CA C gd_43
2289 N CA CB CG1 gd_34
2290 N CA C +N gd_45
2291 N CA C +N gd_42
2293 [ DALA ]
2294 [ atoms ]
2295 N N -0.31000 0
2296 H H 0.31000 0
2297 CA CH1 0.00000 1
2298 CB CH3 0.00000 1
2299 C C 0.450 2
2300 O O -0.450 2
2301 [ bonds ]
2302 N H gb_2
2303 N CA gb_21
2304 CA CB gb_27
2305 CA C gb_27
2306 C O gb_5
2307 C +N gb_10
2308 [ angles ]
2309 ; ai aj ak gromos type
2310 -C N H ga_32
2311 -C N CA ga_31
2312 H N CA ga_18
2313 N CA CB ga_13
2314 N CA C ga_13
2315 CB CA C ga_13
2316 CA C O ga_30
2317 CA C +N ga_19
2318 O C +N ga_33
2319 [ impropers ]
2320 ; ai aj ak al gromos type
2321 N -C CA H gi_1
2322 CB N C CA gi_2
2323 C CA +N O gi_1
2324 [ dihedrals ]
2325 ; ai aj ak al gromos type
2326 -CA -C N CA gd_14
2327 -C N CA C gd_44
2328 -C N CA C gd_43
2329 N CA C +N gd_45
2330 N CA C +N gd_42
2332 [ ABU ]
2333 [ atoms ]
2334 N N -0.31000 0
2335 H H 0.31000 0
2336 CA CH1 0.00000 1
2337 CB CH2 0.00000 1
2338 CG CH3 0.00000 1
2339 C C 0.450 2
2340 O O -0.450 2
2341 [ bonds ]
2342 N H gb_2
2343 N CA gb_21
2344 CA CB gb_27
2345 CA C gb_27
2346 CB CG gb_27
2347 C O gb_5
2348 C +N gb_10
2349 [ angles ]
2350 ; ai aj ak gromos type
2351 -C N H ga_32
2352 -C N CA ga_31
2353 H N CA ga_18
2354 N CA CB ga_13
2355 N CA C ga_13
2356 CB CA C ga_13
2357 CA CB CG ga_15
2358 CA C O ga_30
2359 CA C +N ga_19
2360 O C +N ga_33
2361 [ impropers ]
2362 ; ai aj ak al gromos type
2363 N -C CA H gi_1
2364 CA N C CB gi_2
2365 C CA +N O gi_1
2366 [ dihedrals ]
2367 ; ai aj ak al gromos type
2368 -CA -C N CA gd_14
2369 -C N CA C gd_44
2370 -C N CA C gd_43
2371 N CA CB CG gd_34
2372 N CA C +N gd_45
2373 N CA C +N gd_42
2375 [ MEBMT ]
2376 [ atoms ]
2377 N N 0.00000 0
2378 CN CH3 0.00000 0
2379 CA CH1 0.00000 1
2380 CB CH1 0.26600 2
2381 OG1 OA -0.67400 2
2382 HG1 H 0.40800 2
2383 CG2 CH1 0.00000 3
2384 CD1 CH3 0.00000 3
2385 CD2 CH2 0.00000 3
2386 CE CR1 0.00000 4
2387 CZ CR1 0.00000 4
2388 CH CH3 0.00000 4
2389 C C 0.450 5
2390 O O -0.450 5
2391 [ bonds ]
2392 N CN gb_21
2393 N CA gb_21
2394 CA CB gb_27
2395 CA C gb_27
2396 CB OG1 gb_18
2397 CB CG2 gb_27
2398 OG1 HG1 gb_1
2399 CG2 CD1 gb_27
2400 CG2 CD2 gb_27
2401 CD2 CE gb_27
2402 CE CZ gb_10
2403 CZ CH gb_27
2404 C O gb_5
2405 C +N gb_10
2406 [ angles ]
2407 ; ai aj ak gromos type
2408 -C N CN ga_22
2409 -C N CA ga_31
2410 CN N CA ga_30
2411 N CA CB ga_13
2412 N CA C ga_13
2413 CB CA C ga_13
2414 CA CB OG1 ga_13
2415 CA CB CG2 ga_15
2416 OG1 CB CG2 ga_15
2417 CB OG1 HG1 ga_12
2418 CB CG2 CD1 ga_15
2419 CB CG2 CD2 ga_15
2420 CD1 CG2 CD2 ga_15
2421 CG2 CD2 CE ga_15
2422 CD2 CE CZ ga_27
2423 CE CZ CH ga_27
2424 CA C O ga_30
2425 CA C +N ga_19
2426 O C +N ga_33
2427 [ impropers ]
2428 ; ai aj ak al gromos type
2429 N -C CA CN gi_1
2430 CA N C CB gi_2
2431 CB OG1 CG2 CA gi_2
2432 CG2 CD1 CD2 CB gi_2
2433 C CA +N O gi_1
2434 [ dihedrals ]
2435 ; ai aj ak al gromos type
2436 -CA -C N CA gd_14
2437 -C N CA C gd_44
2438 -C N CA C gd_43
2439 N CA CB CG2 gd_34
2440 N CA C +N gd_45
2441 N CA C +N gd_42
2442 CA CB OG1 HG1 gd_23
2443 CA CB CG2 CD2 gd_34
2444 CB CG2 CD2 CE gd_34
2445 CG2 CD2 CE CZ gd_40
2446 CD2 CE CZ CH gd_14
2448 [ MELEU ]
2449 [ atoms ]
2450 N N 0.00000 0
2451 CN CH3 0.00000 0
2452 CA CH1 0.00000 1
2453 CB CH2 0.00000 1
2454 CG CH1 0.00000 2
2455 CD1 CH3 0.00000 2
2456 CD2 CH3 0.00000 2
2457 C C 0.450 3
2458 O O -0.450 3
2459 [ bonds ]
2460 N CN gb_21
2461 N CA gb_21
2462 CA CB gb_27
2463 CA C gb_27
2464 CB CG gb_27
2465 CG CD1 gb_27
2466 CG CD2 gb_27
2467 C O gb_5
2468 C +N gb_10
2469 [ angles ]
2470 ; ai aj ak gromos type
2471 -C N CN ga_22
2472 -C N CA ga_31
2473 CN N CA ga_30
2474 N CA CB ga_13
2475 N CA C ga_13
2476 CB CA C ga_13
2477 CA CB CG ga_15
2478 CB CG CD1 ga_15
2479 CB CG CD2 ga_15
2480 CD1 CG CD2 ga_15
2481 CA C O ga_30
2482 CA C +N ga_19
2483 O C +N ga_33
2484 [ impropers ]
2485 ; ai aj ak al gromos type
2486 N -C CA CN gi_1
2487 CA N C CB gi_2
2488 CB CD1 CD2 CG gi_2
2489 C CA +N O gi_1
2490 [ dihedrals ]
2491 ; ai aj ak al gromos type
2492 -CA -C N CA gd_14
2493 -C N CA C gd_44
2494 -C N CA C gd_43
2495 N CA CB CG gd_34
2496 N CA C +N gd_45
2497 N CA C +N gd_42
2498 CA CB CG CD1 gd_34
2500 [ MEVAL ]
2501 [ atoms ]
2502 N N 0.00000 0
2503 CN CH3 0.00000 0
2504 CA CH1 0.00000 1
2505 CB CH1 0.00000 1
2506 CG1 CH3 0.00000 1
2507 CG2 CH3 0.00000 1
2508 C C 0.450 2
2509 O O -0.450 2
2510 [ bonds ]
2511 N CN gb_21
2512 N CA gb_21
2513 CA CB gb_27
2514 CA C gb_27
2515 CB CG1 gb_27
2516 CB CG2 gb_27
2517 C O gb_5
2518 C +N gb_10
2519 [ angles ]
2520 ; ai aj ak gromos type
2521 -C N CN ga_22
2522 -C N CA ga_31
2523 CN N CA ga_30
2524 N CA CB ga_13
2525 N CA C ga_13
2526 CB CA C ga_13
2527 CA CB CG1 ga_15
2528 CA CB CG2 ga_15
2529 CG1 CB CG2 ga_15
2530 CA C O ga_30
2531 CA C +N ga_19
2532 O C +N ga_33
2533 [ impropers ]
2534 ; ai aj ak al gromos type
2535 N -C CA CN gi_1
2536 CA N C CB gi_2
2537 CA CG1 CG2 CB gi_2
2538 C CA +N O gi_1
2539 [ dihedrals ]
2540 ; ai aj ak al gromos type
2541 -CA -C N CA gd_14
2542 -C N CA C gd_44
2543 -C N CA C gd_43
2544 N CA CB CG1 gd_34
2545 N CA C +N gd_45
2546 N CA C +N gd_42
2548 [ SAR ]
2549 [ atoms ]
2550 N N 0.00000 0
2551 CN CH3 0.00000 0
2552 CA CH2 0.00000 1
2553 C C 0.450 2
2554 O O -0.450 2
2555 [ bonds ]
2556 N CN gb_21
2557 N CA gb_21
2558 CA C gb_27
2559 C O gb_5
2560 C +N gb_10
2561 [ angles ]
2562 ; ai aj ak gromos type
2563 -C N CN ga_22
2564 -C N CA ga_31
2565 CN N CA ga_30
2566 N CA C ga_13
2567 CA C O ga_30
2568 CA C +N ga_19
2569 O C +N ga_33
2570 [ impropers ]
2571 ; ai aj ak al gromos type
2572 N -C CA CN gi_1
2573 C CA +N O gi_1
2574 [ dihedrals ]
2575 ; ai aj ak al gromos type
2576 -CA -C N CA gd_14
2577 -C N CA C gd_44
2578 -C N CA C gd_43
2579 N CA C +N gd_45
2580 N CA C +N gd_42
2582 [ DADE ]
2583 [ atoms ]
2584 P P 0.99000 0
2585 O1P OM -0.63500 0
2586 O2P OM -0.63500 0
2587 O5* OA -0.36000 0
2588 C5* CH2 0.00000 1
2589 C4* CH1 0.16000 2
2590 O4* OA -0.36000 2
2591 C1* CH1 0.20000 2
2592 N9 NR -0.20000 3
2593 C4 C 0.20000 3
2594 N3 NR -0.54000 4
2595 C2 C 0.44000 4
2596 H2 HC 0.10000 4
2597 N1 NR -0.54000 5
2598 C6 C 0.54000 5
2599 N6 NT -0.83000 6
2600 H61 H 0.41500 6
2601 H62 H 0.41500 6
2602 C5 C 0.00000 7
2603 N7 NR -0.54000 7
2604 C8 C 0.44000 7
2605 H8 HC 0.10000 7
2606 C2* CH2r 0.00000 8
2607 C3* CH1 0.000 8
2608 O3* OA -0.360 9
2609 [ bonds ]
2610 P O1P gb_24
2611 P O2P gb_24
2612 P O5* gb_28
2613 O5* C5* gb_20
2614 C5* C4* gb_26
2615 C4* O4* gb_20
2616 C4* C3* gb_26
2617 O4* C1* gb_20
2618 C1* N9 gb_22
2619 C1* C2* gb_26
2620 N9 C4 gb_10
2621 N9 C8 gb_10
2622 C4 N3 gb_12
2623 C4 C5 gb_16
2624 N3 C2 gb_7
2625 C2 H2 gb_3
2626 C2 N1 gb_7
2627 N1 C6 gb_12
2628 C6 N6 gb_9
2629 C6 C5 gb_16
2630 N6 H61 gb_2
2631 N6 H62 gb_2
2632 C5 N7 gb_10
2633 N7 C8 gb_10
2634 C8 H8 gb_3
2635 C2* C3* gb_26
2636 C3* O3* gb_20
2637 O3* +P gb_28
2638 [ exclusions ]
2639 ; ai aj
2640 C1* N3
2641 C1* C5
2642 C1* N7
2643 C1* H8
2644 N9 C2
2645 N9 C6
2646 C4 H2
2647 C4 N1
2648 C4 N6
2649 C4 H8
2650 N3 C6
2651 N3 N7
2652 N3 C8
2653 C2 N6
2654 C2 C5
2655 H2 C6
2656 N1 N7
2657 C6 C8
2658 N6 N7
2659 H61 N7
2660 H62 N7
2661 C5 H8
2662 [ angles ]
2663 ; ai aj ak gromos type
2664 -O3* P O1P ga_14
2665 -O3* P O2P ga_14
2666 -O3* P O5* ga_5
2667 O1P P O2P ga_29
2668 O1P P O5* ga_14
2669 O2P P O5* ga_14
2670 P O5* C5* ga_26
2671 O5* C5* C4* ga_9
2672 C5* C4* O4* ga_9
2673 C5* C4* C3* ga_8
2674 O4* C4* C3* ga_9
2675 C4* O4* C1* ga_10
2676 O4* C1* N9 ga_9
2677 O4* C1* C2* ga_9
2678 N9 C1* C2* ga_9
2679 C1* N9 C4 ga_37
2680 C1* N9 C8 ga_37
2681 C4 N9 C8 ga_7
2682 N9 C4 N3 ga_39
2683 N9 C4 C5 ga_7
2684 N3 C4 C5 ga_27
2685 C4 N3 C2 ga_27
2686 N3 C2 H2 ga_25
2687 N3 C2 N1 ga_27
2688 H2 C2 N1 ga_25
2689 C2 N1 C6 ga_27
2690 N1 C6 N6 ga_27
2691 N1 C6 C5 ga_27
2692 N6 C6 C5 ga_27
2693 C6 N6 H61 ga_23
2694 C6 N6 H62 ga_23
2695 H61 N6 H62 ga_24
2696 C4 C5 C6 ga_27
2697 C4 C5 N7 ga_7
2698 C6 C5 N7 ga_39
2699 C5 N7 C8 ga_7
2700 N9 C8 N7 ga_7
2701 N9 C8 H8 ga_36
2702 N7 C8 H8 ga_36
2703 C1* C2* C3* ga_8
2704 C4* C3* C2* ga_8
2705 C4* C3* O3* ga_9
2706 C2* C3* O3* ga_9
2707 C3* O3* +P ga_26
2708 [ impropers ]
2709 ; ai aj ak al gromos type
2710 C1* C4 C8 N9 gi_1
2711 N9 C4 C5 N7 gi_1
2712 C4 N9 N3 C5 gi_1
2713 C4 N9 C8 N7 gi_1
2714 C4 N3 C2 N1 gi_1
2715 C4 C5 N7 C8 gi_1
2716 N3 C4 C5 C6 gi_1
2717 N3 C2 N1 C6 gi_1
2718 C2 N3 H2 N1 gi_1
2719 C2 N1 C6 C5 gi_1
2720 N1 C6 C5 C4 gi_1
2721 N6 N1 C5 C6 gi_1
2722 N6 H61 H62 C6 gi_1
2723 C5 C4 N3 C2 gi_1
2724 C5 C6 N7 C4 gi_1
2725 C5 N7 C8 N9 gi_1
2726 C8 N9 C4 C5 gi_1
2727 C8 N9 N7 H8 gi_1
2728 C2* O4* N9 C1* gi_2
2729 C3* C5* O4* C4* gi_2
2730 C3* C2* O3* C4* gi_2
2731 [ dihedrals ]
2732 ; ai aj ak al gromos type
2733 -C3* -O3* P O5* gd_20
2734 -C3* -O3* P O5* gd_27
2735 -O3* P O5* C5* gd_20
2736 -O3* P O5* C5* gd_27
2737 P O5* C5* C4* gd_7
2738 O5* C5* C4* O4* gd_8
2739 O5* C5* C4* O4* gd_25
2740 O5* C5* C4* C3* gd_17
2741 O5* C5* C4* C3* gd_34
2742 C3* C4* O4* C1* gd_29
2743 C5* C4* C3* C2* gd_34
2744 C5* C4* C3* O3* gd_17
2745 O4* C4* C3* C2* gd_17
2746 O4* C4* C3* O3* gd_18
2747 C4* O4* C1* C2* gd_29
2748 O4* C1* N9 C4 gd_16
2749 O4* C1* C2* C3* gd_17
2750 O4* C1* C2* C3* gd_34
2751 C5 C6 N6 H61 gd_14
2752 C1* C2* C3* C4* gd_34
2753 C1* C2* C3* O3* gd_17
2754 C4* C3* O3* +P gd_29
2756 [ DGUA ]
2757 [ atoms ]
2758 P P 0.99000 0
2759 O1P OM -0.63500 0
2760 O2P OM -0.63500 0
2761 O5* OA -0.36000 0
2762 C5* CH2 0.00000 1
2763 C4* CH1 0.16000 2
2764 O4* OA -0.36000 2
2765 C1* CH1 0.20000 2
2766 N9 NR -0.20000 3
2767 C4 C 0.20000 3
2768 N3 NR -0.54000 4
2769 C2 C 0.54000 4
2770 N2 NT -0.83000 5
2771 H21 H 0.41500 5
2772 H22 H 0.41500 5
2773 N1 NR -0.31000 6
2774 H1 H 0.31000 6
2775 C6 C 0.45000 7
2776 O6 O -0.45000 7
2777 C5 C 0.00000 8
2778 N7 NR -0.54000 8
2779 C8 C 0.44000 8
2780 H8 HC 0.10000 8
2781 C2* CH2r 0.00000 9
2782 C3* CH1 0.000 9
2783 O3* OA -0.360 10
2784 [ bonds ]
2785 P O1P gb_24
2786 P O2P gb_24
2787 P O5* gb_28
2788 O5* C5* gb_20
2789 C5* C4* gb_26
2790 C4* O4* gb_20
2791 C4* C3* gb_26
2792 O4* C1* gb_20
2793 C1* N9 gb_22
2794 C1* C2* gb_26
2795 N9 C4 gb_10
2796 N9 C8 gb_10
2797 C4 N3 gb_12
2798 C4 C5 gb_16
2799 N3 C2 gb_12
2800 C2 N2 gb_9
2801 C2 N1 gb_17
2802 N2 H21 gb_2
2803 N2 H22 gb_2
2804 N1 H1 gb_2
2805 N1 C6 gb_17
2806 C6 O6 gb_5
2807 C6 C5 gb_16
2808 C5 N7 gb_10
2809 N7 C8 gb_10
2810 C8 H8 gb_3
2811 C2* C3* gb_26
2812 C3* O3* gb_20
2813 O3* +P gb_28
2814 [ exclusions ]
2815 ; ai aj
2816 C1* N3
2817 C1* C5
2818 C1* N7
2819 C1* H8
2820 N9 C2
2821 N9 C6
2822 C4 N2
2823 C4 N1
2824 C4 O6
2825 C4 H8
2826 N3 H1
2827 N3 C6
2828 N3 N7
2829 N3 C8
2830 C2 O6
2831 C2 C5
2832 N2 H1
2833 N2 C6
2834 N1 N7
2835 H1 O6
2836 H1 C5
2837 C6 C8
2838 O6 N7
2839 C5 H8
2840 [ angles ]
2841 ; ai aj ak gromos type
2842 -O3* P O1P ga_14
2843 -O3* P O2P ga_14
2844 -O3* P O5* ga_5
2845 O1P P O2P ga_29
2846 O1P P O5* ga_14
2847 O2P P O5* ga_14
2848 P O5* C5* ga_26
2849 O5* C5* C4* ga_9
2850 C5* C4* O4* ga_9
2851 C5* C4* C3* ga_8
2852 O4* C4* C3* ga_9
2853 C4* O4* C1* ga_10
2854 O4* C1* N9 ga_9
2855 O4* C1* C2* ga_9
2856 N9 C1* C2* ga_9
2857 C1* N9 C4 ga_37
2858 C1* N9 C8 ga_37
2859 C4 N9 C8 ga_7
2860 N9 C4 N3 ga_39
2861 N9 C4 C5 ga_7
2862 N3 C4 C5 ga_27
2863 C4 N3 C2 ga_27
2864 N3 C2 N2 ga_27
2865 N3 C2 N1 ga_27
2866 N2 C2 N1 ga_27
2867 C2 N2 H21 ga_23
2868 C2 N2 H22 ga_23
2869 H21 N2 H22 ga_24
2870 C2 N1 H1 ga_25
2871 C2 N1 C6 ga_27
2872 H1 N1 C6 ga_25
2873 N1 C6 O6 ga_27
2874 N1 C6 C5 ga_27
2875 O6 C6 C5 ga_27
2876 C4 C5 C6 ga_27
2877 C4 C5 N7 ga_7
2878 C6 C5 N7 ga_39
2879 C5 N7 C8 ga_7
2880 N9 C8 N7 ga_7
2881 N9 C8 H8 ga_36
2882 N7 C8 H8 ga_36
2883 C1* C2* C3* ga_8
2884 C4* C3* C2* ga_8
2885 C4* C3* O3* ga_9
2886 C2* C3* O3* ga_9
2887 C3* O3* +P ga_26
2888 [ impropers ]
2889 ; ai aj ak al gromos type
2890 C1* C4 C8 N9 gi_1
2891 N9 C4 C5 N7 gi_1
2892 C4 N9 N3 C5 gi_1
2893 C4 N9 C8 N7 gi_1
2894 C4 N3 C2 N1 gi_1
2895 C4 C5 N7 C8 gi_1
2896 N3 C4 C5 C6 gi_1
2897 N3 C2 N1 C6 gi_1
2898 C2 N1 C6 C5 gi_1
2899 N2 N3 N1 C2 gi_1
2900 N2 H21 H22 C2 gi_1
2901 N1 C6 C5 C4 gi_1
2902 H1 C2 C6 N1 gi_1
2903 O6 N1 C5 C6 gi_1
2904 C5 C4 N3 C2 gi_1
2905 C5 C6 N7 C4 gi_1
2906 C5 N7 C8 N9 gi_1
2907 C8 N9 C4 C5 gi_1
2908 C8 N9 N7 H8 gi_1
2909 C2* O4* N9 C1* gi_2
2910 C3* C5* O4* C4* gi_2
2911 C3* C2* O3* C4* gi_2
2912 [ dihedrals ]
2913 ; ai aj ak al gromos type
2914 -C3* -O3* P O5* gd_20
2915 -C3* -O3* P O5* gd_27
2916 -O3* P O5* C5* gd_20
2917 -O3* P O5* C5* gd_27
2918 P O5* C5* C4* gd_7
2919 O5* C5* C4* O4* gd_8
2920 O5* C5* C4* O4* gd_25
2921 O5* C5* C4* C3* gd_17
2922 O5* C5* C4* C3* gd_34
2923 C3* C4* O4* C1* gd_29
2924 C5* C4* C3* C2* gd_34
2925 C5* C4* C3* O3* gd_17
2926 O4* C4* C3* C2* gd_17
2927 O4* C4* C3* O3* gd_18
2928 C4* O4* C1* C2* gd_29
2929 O4* C1* N9 C4 gd_16
2930 O4* C1* C2* C3* gd_17
2931 O4* C1* C2* C3* gd_34
2932 N3 C2 N2 H21 gd_14
2933 C1* C2* C3* C4* gd_34
2934 C1* C2* C3* O3* gd_17
2935 C4* C3* O3* +P gd_29
2937 [ DCYT ]
2938 [ atoms ]
2939 P P 0.99000 0
2940 O1P OM -0.63500 0
2941 O2P OM -0.63500 0
2942 O5* OA -0.36000 0
2943 C5* CH2 0.00000 1
2944 C4* CH1 0.16000 2
2945 O4* OA -0.36000 2
2946 C1* CH1 0.20000 2
2947 N1 NR -0.20000 3
2948 C6 C 0.10000 3
2949 H6 HC 0.10000 3
2950 C2 C 0.45000 4
2951 O2 O -0.45000 4
2952 N3 NR -0.54000 5
2953 C4 C 0.54000 5
2954 N4 NT -0.83000 6
2955 H41 H 0.41500 6
2956 H42 H 0.41500 6
2957 C5 C -0.10000 7
2958 H5 HC 0.10000 7
2959 C2* CH2r 0.00000 8
2960 C3* CH1 0.000 8
2961 O3* OA -0.360 9
2962 [ bonds ]
2963 P O1P gb_24
2964 P O2P gb_24
2965 P O5* gb_28
2966 O5* C5* gb_20
2967 C5* C4* gb_26
2968 C4* O4* gb_20
2969 C4* C3* gb_26
2970 O4* C1* gb_20
2971 C1* N1 gb_23
2972 C1* C2* gb_26
2973 N1 C6 gb_17
2974 N1 C2 gb_17
2975 C6 H6 gb_3
2976 C6 C5 gb_16
2977 C2 O2 gb_5
2978 C2 N3 gb_12
2979 N3 C4 gb_12
2980 C4 N4 gb_9
2981 C4 C5 gb_16
2982 N4 H41 gb_2
2983 N4 H42 gb_2
2984 C5 H5 gb_3
2985 C2* C3* gb_26
2986 C3* O3* gb_20
2987 O3* +P gb_28
2988 [ exclusions ]
2989 ; ai aj
2990 C1* H6
2991 C1* O2
2992 C1* N3
2993 C1* C5
2994 N1 C4
2995 N1 H5
2996 C6 O2
2997 C6 N3
2998 C6 N4
2999 H6 C2
3000 H6 C4
3001 H6 H5
3002 C2 N4
3003 C2 C5
3004 O2 C4
3005 N3 H5
3006 N4 H5
3007 [ angles ]
3008 ; ai aj ak gromos type
3009 -O3* P O1P ga_14
3010 -O3* P O2P ga_14
3011 -O3* P O5* ga_5
3012 O1P P O2P ga_29
3013 O1P P O5* ga_14
3014 O2P P O5* ga_14
3015 P O5* C5* ga_26
3016 O5* C5* C4* ga_9
3017 C5* C4* O4* ga_9
3018 C5* C4* C3* ga_8
3019 O4* C4* C3* ga_9
3020 C4* O4* C1* ga_10
3021 O4* C1* N1 ga_9
3022 O4* C1* C2* ga_9
3023 N1 C1* C2* ga_8
3024 C1* N1 C6 ga_27
3025 C1* N1 C2 ga_27
3026 C6 N1 C2 ga_27
3027 N1 C6 H6 ga_25
3028 N1 C6 C5 ga_27
3029 H6 C6 C5 ga_25
3030 N1 C2 O2 ga_27
3031 N1 C2 N3 ga_27
3032 O2 C2 N3 ga_27
3033 C2 N3 C4 ga_27
3034 N3 C4 N4 ga_27
3035 N3 C4 C5 ga_27
3036 N4 C4 C5 ga_27
3037 C4 N4 H41 ga_23
3038 C4 N4 H42 ga_23
3039 H41 N4 H42 ga_24
3040 C6 C5 C4 ga_27
3041 C6 C5 H5 ga_25
3042 C4 C5 H5 ga_25
3043 C1* C2* C3* ga_8
3044 C4* C3* C2* ga_8
3045 C4* C3* O3* ga_9
3046 C2* C3* O3* ga_9
3047 C3* O3* +P ga_26
3048 [ impropers ]
3049 ; ai aj ak al gromos type
3050 N1 C6 C2 C1* gi_1
3051 N1 C6 C5 C4 gi_1
3052 N1 C2 N3 C4 gi_1
3053 C6 N1 C2 N3 gi_1
3054 C6 N1 C5 H6 gi_1
3055 C2 N1 C6 C5 gi_1
3056 C2 N3 C4 C5 gi_1
3057 O2 N1 N3 C2 gi_1
3058 N3 C4 C5 C6 gi_1
3059 N4 N3 C5 C4 gi_1
3060 N4 H41 H42 C4 gi_1
3061 C5 C6 C4 H5 gi_1
3062 C2* O4* N1 C1* gi_2
3063 C3* C5* O4* C4* gi_2
3064 C3* C2* O3* C4* gi_2
3065 [ dihedrals ]
3066 ; ai aj ak al gromos type
3067 -C3* -O3* P O5* gd_20
3068 -C3* -O3* P O5* gd_27
3069 -O3* P O5* C5* gd_20
3070 -O3* P O5* C5* gd_27
3071 P O5* C5* C4* gd_7
3072 O5* C5* C4* O4* gd_8
3073 O5* C5* C4* O4* gd_25
3074 O5* C5* C4* C3* gd_17
3075 O5* C5* C4* C3* gd_34
3076 C3* C4* O4* C1* gd_29
3077 C5* C4* C3* C2* gd_34
3078 C5* C4* C3* O3* gd_17
3079 O4* C4* C3* C2* gd_17
3080 O4* C4* C3* O3* gd_18
3081 C4* O4* C1* C2* gd_29
3082 O4* C1* N1 C2 gd_16
3083 O4* C1* C2* C3* gd_17
3084 O4* C1* C2* C3* gd_34
3085 N3 C4 N4 H41 gd_14
3086 C1* C2* C3* C4* gd_34
3087 C1* C2* C3* O3* gd_17
3088 C4* C3* O3* +P gd_29
3090 [ DTHY ]
3091 [ atoms ]
3092 P P 0.99000 0
3093 O1P OM -0.63500 0
3094 O2P OM -0.63500 0
3095 O5* OA -0.36000 0
3096 C5* CH2 0.00000 1
3097 C4* CH1 0.16000 2
3098 O4* OA -0.36000 2
3099 C1* CH1 0.20000 2
3100 N1 NR -0.20000 3
3101 C6 C 0.10000 3
3102 H6 HC 0.10000 3
3103 C2 C 0.45000 4
3104 O2 O -0.45000 4
3105 N3 NR -0.31000 5
3106 H3 H 0.31000 5
3107 C4 C 0.45000 6
3108 O4 O -0.45000 6
3109 C5 C 0.00000 7
3110 C5M CH3 0.00000 7
3111 C2* CH2r 0.00000 8
3112 C3* CH1 0.000 8
3113 O3* OA -0.360 9
3114 [ bonds ]
3115 P O1P gb_24
3116 P O2P gb_24
3117 P O5* gb_28
3118 O5* C5* gb_20
3119 C5* C4* gb_26
3120 C4* O4* gb_20
3121 C4* C3* gb_26
3122 O4* C1* gb_20
3123 C1* N1 gb_23
3124 C1* C2* gb_26
3125 N1 C6 gb_17
3126 N1 C2 gb_17
3127 C6 H6 gb_3
3128 C6 C5 gb_16
3129 C2 O2 gb_5
3130 C2 N3 gb_17
3131 N3 H3 gb_2
3132 N3 C4 gb_17
3133 C4 O4 gb_5
3134 C4 C5 gb_16
3135 C5 C5M gb_27
3136 C2* C3* gb_26
3137 C3* O3* gb_20
3138 O3* +P gb_28
3139 [ exclusions ]
3140 ; ai aj
3141 C1* H6
3142 C1* O2
3143 C1* N3
3144 C1* C5
3145 N1 H3
3146 N1 C4
3147 N1 C5M
3148 C6 O2
3149 C6 N3
3150 C6 O4
3151 H6 C2
3152 H6 C4
3153 H6 C5M
3154 C2 O4
3155 C2 C5
3156 O2 H3
3157 O2 C4
3158 N3 C5M
3159 H3 O4
3160 H3 C5
3161 O4 C5M
3162 [ angles ]
3163 ; ai aj ak gromos type
3164 -O3* P O1P ga_14
3165 -O3* P O2P ga_14
3166 -O3* P O5* ga_5
3167 O1P P O2P ga_29
3168 O1P P O5* ga_14
3169 O2P P O5* ga_14
3170 P O5* C5* ga_26
3171 O5* C5* C4* ga_9
3172 C5* C4* O4* ga_9
3173 C5* C4* C3* ga_8
3174 O4* C4* C3* ga_9
3175 C4* O4* C1* ga_10
3176 O4* C1* N1 ga_9
3177 O4* C1* C2* ga_9
3178 N1 C1* C2* ga_8
3179 C1* N1 C6 ga_27
3180 C1* N1 C2 ga_27
3181 C6 N1 C2 ga_27
3182 N1 C6 H6 ga_25
3183 N1 C6 C5 ga_27
3184 H6 C6 C5 ga_25
3185 N1 C2 O2 ga_27
3186 N1 C2 N3 ga_27
3187 O2 C2 N3 ga_27
3188 C2 N3 H3 ga_25
3189 C2 N3 C4 ga_27
3190 H3 N3 C4 ga_25
3191 N3 C4 O4 ga_27
3192 N3 C4 C5 ga_27
3193 O4 C4 C5 ga_27
3194 C6 C5 C4 ga_27
3195 C6 C5 C5M ga_27
3196 C4 C5 C5M ga_27
3197 C1* C2* C3* ga_8
3198 C4* C3* C2* ga_8
3199 C4* C3* O3* ga_9
3200 C2* C3* O3* ga_9
3201 C3* O3* +P ga_26
3202 [ impropers ]
3203 ; ai aj ak al gromos type
3204 N1 C6 C2 C1* gi_1
3205 N1 C6 C5 C4 gi_1
3206 N1 C2 N3 C4 gi_1
3207 C6 N1 C2 N3 gi_1
3208 C6 N1 C5 H6 gi_1
3209 C2 N1 C6 C5 gi_1
3210 C2 N3 C4 C5 gi_1
3211 O2 N1 N3 C2 gi_1
3212 N3 C4 C5 C6 gi_1
3213 H3 C2 C4 N3 gi_1
3214 O4 N3 C5 C4 gi_1
3215 C5 C6 C4 C5M gi_1
3216 C2* O4* N1 C1* gi_2
3217 C3* C5* O4* C4* gi_2
3218 C3* C2* O3* C4* gi_2
3219 [ dihedrals ]
3220 ; ai aj ak al gromos type
3221 -C3* -O3* P O5* gd_20
3222 -C3* -O3* P O5* gd_27
3223 -O3* P O5* C5* gd_20
3224 -O3* P O5* C5* gd_27
3225 P O5* C5* C4* gd_7
3226 O5* C5* C4* O4* gd_8
3227 O5* C5* C4* O4* gd_25
3228 O5* C5* C4* C3* gd_17
3229 O5* C5* C4* C3* gd_34
3230 C3* C4* O4* C1* gd_29
3231 C5* C4* C3* C2* gd_34
3232 C5* C4* C3* O3* gd_17
3233 O4* C4* C3* C2* gd_17
3234 O4* C4* C3* O3* gd_18
3235 C4* O4* C1* C2* gd_29
3236 O4* C1* N1 C2 gd_16
3237 O4* C1* C2* C3* gd_17
3238 O4* C1* C2* C3* gd_34
3239 C1* C2* C3* C4* gd_34
3240 C1* C2* C3* O3* gd_17
3241 C4* C3* O3* +P gd_29
3243 [ ADE ]
3244 [ atoms ]
3245 P P 0.99000 0
3246 O1P OM -0.63500 0
3247 O2P OM -0.63500 0
3248 O5* OA -0.36000 0
3249 C5* CH2 0.00000 1
3250 C4* CH1 0.16000 2
3251 O4* OA -0.36000 2
3252 C1* CH1 0.20000 2
3253 N9 NR -0.20000 3
3254 C4 C 0.20000 3
3255 N3 NR -0.54000 4
3256 C2 C 0.44000 4
3257 H2 HC 0.10000 4
3258 N1 NR -0.54000 5
3259 C6 C 0.54000 5
3260 N6 NT -0.83000 6
3261 H61 H 0.41500 6
3262 H62 H 0.41500 6
3263 C5 C 0.00000 7
3264 N7 NR -0.54000 7
3265 C8 C 0.44000 7
3266 H8 HC 0.10000 7
3267 C2* CH1 0.15000 8
3268 O2* OA -0.54800 8
3269 H2* H 0.39800 8
3270 C3* CH1 0.000 9
3271 O3* OA -0.360 10
3272 [ bonds ]
3273 P O1P gb_24
3274 P O2P gb_24
3275 P O5* gb_28
3276 O5* C5* gb_20
3277 C5* C4* gb_26
3278 C4* O4* gb_20
3279 C4* C3* gb_26
3280 O4* C1* gb_20
3281 C1* N9 gb_22
3282 C1* C2* gb_26
3283 N9 C4 gb_10
3284 N9 C8 gb_10
3285 C4 N3 gb_12
3286 C4 C5 gb_16
3287 N3 C2 gb_7
3288 C2 H2 gb_3
3289 C2 N1 gb_7
3290 N1 C6 gb_12
3291 C6 N6 gb_9
3292 C6 C5 gb_16
3293 N6 H61 gb_2
3294 N6 H62 gb_2
3295 C5 N7 gb_10
3296 N7 C8 gb_10
3297 C8 H8 gb_3
3298 C2* O2* gb_20
3299 C2* C3* gb_26
3300 O2* H2* gb_1
3301 C3* O3* gb_20
3302 O3* +P gb_28
3303 [ exclusions ]
3304 ; ai aj
3305 C1* N3
3306 C1* C5
3307 C1* N7
3308 C1* H8
3309 N9 C2
3310 N9 C6
3311 C4 H2
3312 C4 N1
3313 C4 N6
3314 C4 H8
3315 N3 C6
3316 N3 N7
3317 N3 C8
3318 C2 N6
3319 C2 C5
3320 H2 C6
3321 N1 N7
3322 C6 C8
3323 N6 N7
3324 H61 N7
3325 H62 N7
3326 C5 H8
3327 [ angles ]
3328 ; ai aj ak gromos type
3329 -O3* P O1P ga_14
3330 -O3* P O2P ga_14
3331 -O3* P O5* ga_5
3332 O1P P O2P ga_29
3333 O1P P O5* ga_14
3334 O2P P O5* ga_14
3335 P O5* C5* ga_26
3336 O5* C5* C4* ga_9
3337 C5* C4* O4* ga_9
3338 C5* C4* C3* ga_8
3339 O4* C4* C3* ga_9
3340 C4* O4* C1* ga_10
3341 O4* C1* N9 ga_9
3342 O4* C1* C2* ga_9
3343 N9 C1* C2* ga_9
3344 C1* N9 C4 ga_37
3345 C1* N9 C8 ga_37
3346 C4 N9 C8 ga_7
3347 N9 C4 N3 ga_39
3348 N9 C4 C5 ga_7
3349 N3 C4 C5 ga_27
3350 C4 N3 C2 ga_27
3351 N3 C2 H2 ga_25
3352 N3 C2 N1 ga_27
3353 H2 C2 N1 ga_25
3354 C2 N1 C6 ga_27
3355 N1 C6 N6 ga_27
3356 N1 C6 C5 ga_27
3357 N6 C6 C5 ga_27
3358 C6 N6 H61 ga_23
3359 C6 N6 H62 ga_23
3360 H61 N6 H62 ga_24
3361 C4 C5 C6 ga_27
3362 C4 C5 N7 ga_7
3363 C6 C5 N7 ga_39
3364 C5 N7 C8 ga_7
3365 N9 C8 N7 ga_7
3366 N9 C8 H8 ga_36
3367 N7 C8 H8 ga_36
3368 C1* C2* O2* ga_9
3369 C1* C2* C3* ga_8
3370 O2* C2* C3* ga_9
3371 C2* O2* H2* ga_12
3372 C4* C3* C2* ga_8
3373 C4* C3* O3* ga_9
3374 C2* C3* O3* ga_9
3375 C3* O3* +P ga_26
3376 [ impropers ]
3377 ; ai aj ak al gromos type
3378 C1* C4 C8 N9 gi_1
3379 N9 C4 C5 N7 gi_1
3380 C4 N9 N3 C5 gi_1
3381 C4 N9 C8 N7 gi_1
3382 C4 N3 C2 N1 gi_1
3383 C4 C5 N7 C8 gi_1
3384 N3 C4 C5 C6 gi_1
3385 N3 C2 N1 C6 gi_1
3386 C2 N3 H2 N1 gi_1
3387 C2 N1 C6 C5 gi_1
3388 N1 C6 C5 C4 gi_1
3389 N6 N1 C5 C6 gi_1
3390 N6 H61 H62 C6 gi_1
3391 C5 C4 N3 C2 gi_1
3392 C5 C6 N7 C4 gi_1
3393 C5 N7 C8 N9 gi_1
3394 C8 N9 C4 C5 gi_1
3395 C8 N9 N7 H8 gi_1
3396 C2* O4* N9 C1* gi_2
3397 C2* O2* C3* C1* gi_2
3398 C3* C5* O4* C4* gi_2
3399 C3* C2* O3* C4* gi_2
3400 [ dihedrals ]
3401 ; ai aj ak al gromos type
3402 -C3* -O3* P O5* gd_20
3403 -C3* -O3* P O5* gd_27
3404 -O3* P O5* C5* gd_20
3405 -O3* P O5* C5* gd_27
3406 P O5* C5* C4* gd_7
3407 O5* C5* C4* O4* gd_8
3408 O5* C5* C4* O4* gd_25
3409 O5* C5* C4* C3* gd_17
3410 O5* C5* C4* C3* gd_34
3411 C3* C4* O4* C1* gd_29
3412 C5* C4* C3* C2* gd_34
3413 C5* C4* C3* O3* gd_17
3414 O4* C4* C3* C2* gd_17
3415 O4* C4* C3* O3* gd_18
3416 C4* O4* C1* C2* gd_29
3417 O4* C1* N9 C4 gd_16
3418 O4* C1* C2* O2* gd_18
3419 O4* C1* C2* C3* gd_17
3420 O4* C1* C2* C3* gd_34
3421 N9 C1* C2* O2* gd_17
3422 C5 C6 N6 H61 gd_14
3423 C1* C2* O2* H2* gd_23
3424 C1* C2* C3* C4* gd_34
3425 C1* C2* C3* O3* gd_17
3426 O2* C2* C3* C4* gd_17
3427 O2* C2* C3* O3* gd_18
3428 C4* C3* O3* +P gd_29
3430 [ GUA ]
3431 [ atoms ]
3432 P P 0.99000 0
3433 O1P OM -0.63500 0
3434 O2P OM -0.63500 0
3435 O5* OA -0.36000 0
3436 C5* CH2 0.00000 1
3437 C4* CH1 0.16000 2
3438 O4* OA -0.36000 2
3439 C1* CH1 0.20000 2
3440 N9 NR -0.20000 3
3441 C4 C 0.20000 3
3442 N3 NR -0.54000 4
3443 C2 C 0.54000 4
3444 N2 NT -0.83000 5
3445 H21 H 0.41500 5
3446 H22 H 0.41500 5
3447 N1 NR -0.31000 6
3448 H1 H 0.31000 6
3449 C6 C 0.45000 7
3450 O6 O -0.45000 7
3451 C5 C 0.00000 8
3452 N7 NR -0.54000 8
3453 C8 C 0.44000 8
3454 H8 HC 0.10000 8
3455 C2* CH1 0.15000 9
3456 O2* OA -0.54800 9
3457 H2* H 0.39800 9
3458 C3* CH1 0.000 10
3459 O3* OA -0.360 11
3460 [ bonds ]
3461 P O1P gb_24
3462 P O2P gb_24
3463 P O5* gb_28
3464 O5* C5* gb_20
3465 C5* C4* gb_26
3466 C4* O4* gb_20
3467 C4* C3* gb_26
3468 O4* C1* gb_20
3469 C1* N9 gb_22
3470 C1* C2* gb_26
3471 N9 C4 gb_10
3472 N9 C8 gb_10
3473 C4 N3 gb_12
3474 C4 C5 gb_16
3475 N3 C2 gb_12
3476 C2 N2 gb_9
3477 C2 N1 gb_17
3478 N2 H21 gb_2
3479 N2 H22 gb_2
3480 N1 H1 gb_2
3481 N1 C6 gb_17
3482 C6 O6 gb_5
3483 C6 C5 gb_16
3484 C5 N7 gb_10
3485 N7 C8 gb_10
3486 C8 H8 gb_3
3487 C2* O2* gb_20
3488 C2* C3* gb_26
3489 O2* H2* gb_1
3490 C3* O3* gb_20
3491 O3* +P gb_28
3492 [ exclusions ]
3493 ; ai aj
3494 C1* N3
3495 C1* C5
3496 C1* N7
3497 C1* H8
3498 N9 C2
3499 N9 C6
3500 C4 N2
3501 C4 N1
3502 C4 O6
3503 C4 H8
3504 N3 H1
3505 N3 C6
3506 N3 N7
3507 N3 C8
3508 C2 O6
3509 C2 C5
3510 N2 H1
3511 N2 C6
3512 N1 N7
3513 H1 O6
3514 H1 C5
3515 C6 C8
3516 O6 N7
3517 C5 H8
3518 [ angles ]
3519 ; ai aj ak gromos type
3520 -O3* P O1P ga_14
3521 -O3* P O2P ga_14
3522 -O3* P O5* ga_5
3523 O1P P O2P ga_29
3524 O1P P O5* ga_14
3525 O2P P O5* ga_14
3526 P O5* C5* ga_26
3527 O5* C5* C4* ga_9
3528 C5* C4* O4* ga_9
3529 C5* C4* C3* ga_8
3530 O4* C4* C3* ga_9
3531 C4* O4* C1* ga_10
3532 O4* C1* N9 ga_9
3533 O4* C1* C2* ga_9
3534 N9 C1* C2* ga_9
3535 C1* N9 C4 ga_37
3536 C1* N9 C8 ga_37
3537 C4 N9 C8 ga_7
3538 N9 C4 N3 ga_39
3539 N9 C4 C5 ga_7
3540 N3 C4 C5 ga_27
3541 C4 N3 C2 ga_27
3542 N3 C2 N2 ga_27
3543 N3 C2 N1 ga_27
3544 N2 C2 N1 ga_27
3545 C2 N2 H21 ga_23
3546 C2 N2 H22 ga_23
3547 H21 N2 H22 ga_24
3548 C2 N1 H1 ga_25
3549 C2 N1 C6 ga_27
3550 H1 N1 C6 ga_25
3551 N1 C6 O6 ga_27
3552 N1 C6 C5 ga_27
3553 O6 C6 C5 ga_27
3554 C4 C5 C6 ga_27
3555 C4 C5 N7 ga_7
3556 C6 C5 N7 ga_39
3557 C5 N7 C8 ga_7
3558 N9 C8 N7 ga_7
3559 N9 C8 H8 ga_36
3560 N7 C8 H8 ga_36
3561 C1* C2* O2* ga_9
3562 C1* C2* C3* ga_8
3563 O2* C2* C3* ga_9
3564 C2* O2* H2* ga_12
3565 C4* C3* C2* ga_8
3566 C4* C3* O3* ga_9
3567 C2* C3* O3* ga_9
3568 C3* O3* +P ga_26
3569 [ impropers ]
3570 ; ai aj ak al gromos type
3571 C1* C4 C8 N9 gi_1
3572 N9 C4 C5 N7 gi_1
3573 C4 N9 N3 C5 gi_1
3574 C4 N9 C8 N7 gi_1
3575 C4 N3 C2 N1 gi_1
3576 C4 C5 N7 C8 gi_1
3577 N3 C4 C5 C6 gi_1
3578 N3 C2 N1 C6 gi_1
3579 C2 N1 C6 C5 gi_1
3580 N2 N3 N1 C2 gi_1
3581 N2 H21 H22 C2 gi_1
3582 N1 C6 C5 C4 gi_1
3583 H1 C2 C6 N1 gi_1
3584 O6 N1 C5 C6 gi_1
3585 C5 C4 N3 C2 gi_1
3586 C5 C6 N7 C4 gi_1
3587 C5 N7 C8 N9 gi_1
3588 C8 N9 C4 C5 gi_1
3589 C8 N9 N7 H8 gi_1
3590 C2* O4* N9 C1* gi_2
3591 C2* O2* C3* C1* gi_2
3592 C3* C5* O4* C4* gi_2
3593 C3* C2* O3* C4* gi_2
3594 [ dihedrals ]
3595 ; ai aj ak al gromos type
3596 -C3* -O3* P O5* gd_20
3597 -C3* -O3* P O5* gd_27
3598 -O3* P O5* C5* gd_20
3599 -O3* P O5* C5* gd_27
3600 P O5* C5* C4* gd_7
3601 O5* C5* C4* O4* gd_8
3602 O5* C5* C4* O4* gd_25
3603 O5* C5* C4* C3* gd_17
3604 O5* C5* C4* C3* gd_34
3605 C3* C4* O4* C1* gd_29
3606 C5* C4* C3* C2* gd_34
3607 C5* C4* C3* O3* gd_17
3608 O4* C4* C3* C2* gd_17
3609 O4* C4* C3* O3* gd_18
3610 C4* O4* C1* C2* gd_29
3611 O4* C1* N9 C4 gd_16
3612 O4* C1* C2* O2* gd_18
3613 O4* C1* C2* C3* gd_17
3614 O4* C1* C2* C3* gd_34
3615 N9 C1* C2* O2* gd_17
3616 N3 C2 N2 H21 gd_14
3617 C1* C2* O2* H2* gd_23
3618 C1* C2* C3* C4* gd_34
3619 C1* C2* C3* O3* gd_17
3620 O2* C2* C3* C4* gd_17
3621 O2* C2* C3* O3* gd_18
3622 C4* C3* O3* +P gd_29
3624 [ CYT ]
3625 [ atoms ]
3626 P P 0.99000 0
3627 O1P OM -0.63500 0
3628 O2P OM -0.63500 0
3629 O5* OA -0.36000 0
3630 C5* CH2 0.00000 1
3631 C4* CH1 0.16000 2
3632 O4* OA -0.36000 2
3633 C1* CH1 0.20000 2
3634 N1 NR -0.20000 3
3635 C6 C 0.10000 3
3636 H6 HC 0.10000 3
3637 C2 C 0.45000 4
3638 O2 O -0.45000 4
3639 N3 NR -0.54000 5
3640 C4 C 0.54000 5
3641 N4 NT -0.83000 6
3642 H41 H 0.41500 6
3643 H42 H 0.41500 6
3644 C5 C -0.10000 7
3645 H5 HC 0.10000 7
3646 C2* CH1 0.15000 8
3647 O2* OA -0.54800 8
3648 H2* H 0.39800 8
3649 C3* CH1 0.000 9
3650 O3* OA -0.360 10
3651 [ bonds ]
3652 P O1P gb_24
3653 P O2P gb_24
3654 P O5* gb_28
3655 O5* C5* gb_20
3656 C5* C4* gb_26
3657 C4* O4* gb_20
3658 C4* C3* gb_26
3659 O4* C1* gb_20
3660 C1* N1 gb_23
3661 C1* C2* gb_26
3662 N1 C6 gb_17
3663 N1 C2 gb_17
3664 C6 H6 gb_3
3665 C6 C5 gb_16
3666 C2 O2 gb_5
3667 C2 N3 gb_12
3668 N3 C4 gb_12
3669 C4 N4 gb_9
3670 C4 C5 gb_16
3671 N4 H41 gb_2
3672 N4 H42 gb_2
3673 C5 H5 gb_3
3674 C2* O2* gb_20
3675 C2* C3* gb_26
3676 O2* H2* gb_1
3677 C3* O3* gb_20
3678 O3* +P gb_28
3679 [ exclusions ]
3680 ; ai aj
3681 C1* H6
3682 C1* O2
3683 C1* N3
3684 C1* C5
3685 N1 C4
3686 N1 H5
3687 C6 O2
3688 C6 N3
3689 C6 N4
3690 H6 C2
3691 H6 C4
3692 H6 H5
3693 C2 N4
3694 C2 C5
3695 O2 C4
3696 N3 H5
3697 N4 H5
3698 [ angles ]
3699 ; ai aj ak gromos type
3700 -O3* P O1P ga_14
3701 -O3* P O2P ga_14
3702 -O3* P O5* ga_5
3703 O1P P O2P ga_29
3704 O1P P O5* ga_14
3705 O2P P O5* ga_14
3706 P O5* C5* ga_26
3707 O5* C5* C4* ga_9
3708 C5* C4* O4* ga_9
3709 C5* C4* C3* ga_8
3710 O4* C4* C3* ga_9
3711 C4* O4* C1* ga_10
3712 O4* C1* N1 ga_9
3713 O4* C1* C2* ga_9
3714 N1 C1* C2* ga_8
3715 C1* N1 C6 ga_27
3716 C1* N1 C2 ga_27
3717 C6 N1 C2 ga_27
3718 N1 C6 H6 ga_25
3719 N1 C6 C5 ga_27
3720 H6 C6 C5 ga_25
3721 N1 C2 O2 ga_27
3722 N1 C2 N3 ga_27
3723 O2 C2 N3 ga_27
3724 C2 N3 C4 ga_27
3725 N3 C4 N4 ga_27
3726 N3 C4 C5 ga_27
3727 N4 C4 C5 ga_27
3728 C4 N4 H41 ga_23
3729 C4 N4 H42 ga_23
3730 H41 N4 H42 ga_24
3731 C6 C5 C4 ga_27
3732 C6 C5 H5 ga_25
3733 C4 C5 H5 ga_25
3734 C1* C2* O2* ga_9
3735 C1* C2* C3* ga_8
3736 O2* C2* C3* ga_9
3737 C2* O2* H2* ga_12
3738 C4* C3* C2* ga_8
3739 C4* C3* O3* ga_9
3740 C2* C3* O3* ga_9
3741 C3* O3* +P ga_26
3742 [ impropers ]
3743 ; ai aj ak al gromos type
3744 N1 C6 C2 C1* gi_1
3745 N1 C6 C5 C4 gi_1
3746 N1 C2 N3 C4 gi_1
3747 C6 N1 C2 N3 gi_1
3748 C6 N1 C5 H6 gi_1
3749 C2 N1 C6 C5 gi_1
3750 C2 N3 C4 C5 gi_1
3751 O2 N1 N3 C2 gi_1
3752 N3 C4 C5 C6 gi_1
3753 N4 N3 C5 C4 gi_1
3754 N4 H41 H42 C4 gi_1
3755 C5 C6 C4 H5 gi_1
3756 C2* O4* N1 C1* gi_2
3757 C2* O2* C3* C1* gi_2
3758 C3* C5* O4* C4* gi_2
3759 C3* C2* O3* C4* gi_2
3760 [ dihedrals ]
3761 ; ai aj ak al gromos type
3762 -C3* -O3* P O5* gd_20
3763 -C3* -O3* P O5* gd_27
3764 -O3* P O5* C5* gd_20
3765 -O3* P O5* C5* gd_27
3766 P O5* C5* C4* gd_7
3767 O5* C5* C4* O4* gd_8
3768 O5* C5* C4* O4* gd_25
3769 O5* C5* C4* C3* gd_17
3770 O5* C5* C4* C3* gd_34
3771 C3* C4* O4* C1* gd_29
3772 C5* C4* C3* C2* gd_34
3773 C5* C4* C3* O3* gd_17
3774 O4* C4* C3* C2* gd_17
3775 O4* C4* C3* O3* gd_18
3776 C4* O4* C1* C2* gd_29
3777 O4* C1* N1 C2 gd_16
3778 O4* C1* C2* O2* gd_18
3779 O4* C1* C2* C3* gd_17
3780 O4* C1* C2* C3* gd_34
3781 N1 C1* C2* O2* gd_17
3782 N3 C4 N4 H41 gd_14
3783 C1* C2* O2* H2* gd_23
3784 C1* C2* C3* C4* gd_34
3785 C1* C2* C3* O3* gd_17
3786 O2* C2* C3* C4* gd_17
3787 O2* C2* C3* O3* gd_18
3788 C4* C3* O3* +P gd_29
3790 [ URA ]
3791 [ atoms ]
3792 P P 0.99000 0
3793 O1P OM -0.63500 0
3794 O2P OM -0.63500 0
3795 O5* OA -0.36000 0
3796 C5* CH2 0.00000 1
3797 C4* CH1 0.16000 2
3798 O4* OA -0.36000 2
3799 C1* CH1 0.20000 2
3800 N1 NR -0.20000 3
3801 C6 C 0.10000 3
3802 H6 HC 0.10000 3
3803 C2 C 0.45000 4
3804 O2 O -0.45000 4
3805 N3 NR -0.31000 5
3806 H3 H 0.31000 5
3807 C4 C 0.45000 6
3808 O4 O -0.45000 6
3809 C5 C -0.10000 7
3810 H5 HC 0.10000 7
3811 C2* CH1 0.15000 8
3812 O2* OA -0.54800 8
3813 H2* H 0.39800 8
3814 C3* CH1 0.000 9
3815 O3* OA -0.360 10
3816 [ bonds ]
3817 P O1P gb_24
3818 P O2P gb_24
3819 P O5* gb_28
3820 O5* C5* gb_20
3821 C5* C4* gb_26
3822 C4* O4* gb_20
3823 C4* C3* gb_26
3824 O4* C1* gb_20
3825 C1* N1 gb_23
3826 C1* C2* gb_26
3827 N1 C6 gb_17
3828 N1 C2 gb_17
3829 C6 H6 gb_3
3830 C6 C5 gb_16
3831 C2 O2 gb_5
3832 C2 N3 gb_17
3833 N3 H3 gb_2
3834 N3 C4 gb_17
3835 C4 O4 gb_5
3836 C4 C5 gb_16
3837 C5 H5 gb_3
3838 C2* O2* gb_20
3839 C2* C3* gb_26
3840 O2* H2* gb_1
3841 C3* O3* gb_20
3842 O3* +P gb_28
3843 [ exclusions ]
3844 ; ai aj
3845 C1* H6
3846 C1* O2
3847 C1* N3
3848 C1* C5
3849 N1 H3
3850 N1 C4
3851 N1 H5
3852 C6 O2
3853 C6 N3
3854 C6 O4
3855 H6 C2
3856 H6 C4
3857 H6 H5
3858 C2 O4
3859 C2 C5
3860 O2 H3
3861 O2 C4
3862 N3 H5
3863 H3 O4
3864 H3 C5
3865 O4 H5
3866 H5 -O3*
3867 O2* O3*
3868 [ angles ]
3869 ; ai aj ak gromos type
3870 -O3* P O1P ga_14
3871 -O3* P O2P ga_14
3872 -O3* P O5* ga_5
3873 O1P P O2P ga_29
3874 O1P P O5* ga_14
3875 O2P P O5* ga_14
3876 P O5* C5* ga_26
3877 O5* C5* C4* ga_9
3878 C5* C4* O4* ga_9
3879 C5* C4* C3* ga_8
3880 O4* C4* C3* ga_9
3881 C4* O4* C1* ga_10
3882 O4* C1* N1 ga_9
3883 O4* C1* C2* ga_9
3884 N1 C1* C2* ga_8
3885 C1* N1 C6 ga_27
3886 C1* N1 C2 ga_27
3887 C6 N1 C2 ga_27
3888 N1 C6 H6 ga_25
3889 N1 C6 C5 ga_27
3890 H6 C6 C5 ga_25
3891 N1 C2 O2 ga_27
3892 N1 C2 N3 ga_27
3893 O2 C2 N3 ga_27
3894 C2 N3 H3 ga_25
3895 C2 N3 C4 ga_27
3896 H3 N3 C4 ga_25
3897 N3 C4 O4 ga_27
3898 N3 C4 C5 ga_27
3899 O4 C4 C5 ga_27
3900 C6 C5 C4 ga_27
3901 C6 C5 H5 ga_25
3902 C4 C5 H5 ga_25
3903 C1* C2* O2* ga_9
3904 C1* C2* C3* ga_8
3905 O2* C2* C3* ga_9
3906 C2* O2* H2* ga_12
3907 C4* C3* C2* ga_8
3908 C4* C3* O3* ga_9
3909 C2* C3* O3* ga_9
3910 C3* O3* +P ga_26
3911 [ impropers ]
3912 ; ai aj ak al gromos type
3913 N1 C6 C2 C1* gi_1
3914 N1 C6 C5 C4 gi_1
3915 N1 C2 N3 C4 gi_1
3916 C6 N1 C2 N3 gi_1
3917 C6 N1 C5 H6 gi_1
3918 C2 N1 C6 C5 gi_1
3919 C2 N3 C4 C5 gi_1
3920 O2 N1 N3 C2 gi_1
3921 N3 C4 C5 C6 gi_1
3922 H3 C2 C4 N3 gi_1
3923 O4 N3 C5 C4 gi_1
3924 C5 C6 C4 H5 gi_1
3925 C2* O4* N1 C1* gi_2
3926 C2* O2* C3* C1* gi_2
3927 C3* C5* O4* C4* gi_2
3928 C3* C2* O3* C4* gi_2
3929 [ dihedrals ]
3930 ; ai aj ak al gromos type
3931 -C3* -O3* P O5* gd_20
3932 -C3* -O3* P O5* gd_27
3933 -O3* P O5* C5* gd_20
3934 -O3* P O5* C5* gd_27
3935 P O5* C5* C4* gd_7
3936 O5* C5* C4* O4* gd_8
3937 O5* C5* C4* O4* gd_25
3938 O5* C5* C4* C3* gd_17
3939 O5* C5* C4* C3* gd_34
3940 C3* C4* O4* C1* gd_29
3941 C5* C4* C3* C2* gd_34
3942 C5* C4* C3* O3* gd_17
3943 O4* C4* C3* C2* gd_17
3944 O4* C4* C3* O3* gd_18
3945 C4* O4* C1* C2* gd_29
3946 O4* C1* N1 C2 gd_16
3947 O4* C1* C2* O2* gd_18
3948 O4* C1* C2* C3* gd_17
3949 O4* C1* C2* C3* gd_34
3950 N1 C1* C2* O2* gd_17
3951 C1* C2* O2* H2* gd_23
3952 C1* C2* C3* C4* gd_34
3953 C1* C2* C3* O3* gd_17
3954 O2* C2* C3* C4* gd_17
3955 O2* C2* C3* O3* gd_18
3956 C4* C3* O3* +P gd_29
3958 [ FMNO ]
3959 [ atoms ]
3960 FC9A C 0.20000 0
3961 FN10 NR -0.20000 0
3962 FC10A C 0.36000 1
3963 FN1 NR -0.36000 1
3964 FC2 C 0.38000 2
3965 FO2 O -0.38000 2
3966 FN3 NR -0.28000 3
3967 FH3 H 0.28000 3
3968 FC4 C 0.38000 4
3969 FO4 O -0.38000 4
3970 FC4A C 0.18000 5
3971 FN5 NR -0.28000 5
3972 FC5A C 0.10000 5
3973 FC6 CR1 0.00000 6
3974 FC7 C 0.00000 7
3975 FCM7 CH3 0.00000 7
3976 FC8 C 0.00000 8
3977 FCM8 CH3 0.00000 8
3978 FC9 CR1 0.00000 9
3979 FCA CH2 0.00000 10
3980 FCB CH1 0.15000 11
3981 FOB OA -0.54800 11
3982 FHB H 0.39800 11
3983 FCG CH1 0.15000 12
3984 FOG OA -0.54800 12
3985 FHG H 0.39800 12
3986 FCD CH1 0.15000 13
3987 FOD OA -0.54800 13
3988 FHD H 0.39800 13
3989 FCE CH2 0.15000 14
3990 FOZ OA -0.36000 14
3991 FPH P 0.63000 14
3992 FOH OA -0.54800 14
3993 FHH H 0.39800 14
3994 FOT1 OM -0.63500 14
3995 FOT2 OM -0.63500 14
3996 [ bonds ]
3997 FC9A FN10 gb_17
3998 FC9A FC5A gb_16
3999 FC9A FC9 gb_16
4000 FN10 FC10A gb_17
4001 FN10 FCA gb_23
4002 FC10A FN1 gb_12
4003 FC10A FC4A gb_16
4004 FN1 FC2 gb_12
4005 FC2 FO2 gb_5
4006 FC2 FN3 gb_17
4007 FN3 FH3 gb_2
4008 FN3 FC4 gb_17
4009 FC4 FO4 gb_5
4010 FC4 FC4A gb_16
4011 FC4A FN5 gb_12
4012 FN5 FC5A gb_12
4013 FC5A FC6 gb_16
4014 FC6 FC7 gb_16
4015 FC7 FCM7 gb_27
4016 FC7 FC8 gb_16
4017 FC8 FCM8 gb_27
4018 FC8 FC9 gb_16
4019 FCA FCB gb_27
4020 FCB FOB gb_18
4021 FCB FCG gb_27
4022 FOB FHB gb_1
4023 FCG FOG gb_18
4024 FCG FCD gb_27
4025 FOG FHG gb_1
4026 FCD FOD gb_18
4027 FCD FCE gb_27
4028 FOD FHD gb_1
4029 FCE FOZ gb_18
4030 FOZ FPH gb_28
4031 FPH FOH gb_28
4032 FPH FOT1 gb_24
4033 FPH FOT2 gb_24
4034 FOH FHH gb_1
4035 [ exclusions ]
4036 ; ai aj
4037 FC9A FN1
4038 FC9A FC4A
4039 FC9A FC7
4040 FC9A FCM8
4041 FN10 FC2
4042 FN10 FC4
4043 FN10 FN5
4044 FN10 FC6
4045 FN10 FC8
4046 FC10A FO2
4047 FC10A FN3
4048 FC10A FO4
4049 FC10A FC5A
4050 FC10A FC9
4051 FN1 FH3
4052 FN1 FC4
4053 FN1 FN5
4054 FN1 FCA
4055 FC2 FO4
4056 FC2 FC4A
4057 FO2 FH3
4058 FO2 FC4
4059 FN3 FN5
4060 FH3 FO4
4061 FH3 FC4A
4062 FC4 FC5A
4063 FO4 FN5
4064 FC4A FC6
4065 FC4A FCA
4066 FN5 FC7
4067 FN5 FC9
4068 FC5A FCM7
4069 FC5A FC8
4070 FC5A FCA
4071 FC6 FCM8
4072 FC6 FC9
4073 FCM7 FCM8
4074 FCM7 FC9
4075 FC9 FCA
4076 FOZ FHH
4077 FHH FOT1
4078 FHH FOT2
4079 [ angles ]
4080 ; ai aj ak gromos type
4081 FN10 FC9A FC5A ga_27
4082 FN10 FC9A FC9 ga_27
4083 FC5A FC9A FC9 ga_27
4084 FC9A FN10 FC10A ga_27
4085 FC9A FN10 FCA ga_27
4086 FC10A FN10 FCA ga_27
4087 FN10 FC10A FN1 ga_27
4088 FN10 FC10A FC4A ga_27
4089 FN1 FC10A FC4A ga_27
4090 FC10A FN1 FC2 ga_27
4091 FN1 FC2 FO2 ga_27
4092 FN1 FC2 FN3 ga_27
4093 FO2 FC2 FN3 ga_27
4094 FC2 FN3 FH3 ga_25
4095 FC2 FN3 FC4 ga_27
4096 FH3 FN3 FC4 ga_25
4097 FN3 FC4 FO4 ga_27
4098 FN3 FC4 FC4A ga_27
4099 FO4 FC4 FC4A ga_27
4100 FC10A FC4A FC4 ga_27
4101 FC10A FC4A FN5 ga_27
4102 FC4 FC4A FN5 ga_27
4103 FC4A FN5 FC5A ga_27
4104 FC9A FC5A FN5 ga_27
4105 FC9A FC5A FC6 ga_27
4106 FN5 FC5A FC6 ga_27
4107 FC5A FC6 FC7 ga_27
4108 FC6 FC7 FCM7 ga_27
4109 FC6 FC7 FC8 ga_27
4110 FCM7 FC7 FC8 ga_27
4111 FC7 FC8 FCM8 ga_27
4112 FC7 FC8 FC9 ga_27
4113 FCM8 FC8 FC9 ga_27
4114 FC9A FC9 FC8 ga_27
4115 FN10 FCA FCB ga_15
4116 FCA FCB FOB ga_15
4117 FCA FCB FCG ga_15
4118 FOB FCB FCG ga_13
4119 FCB FOB FHB ga_12
4120 FCB FCG FOG ga_13
4121 FCB FCG FCD ga_15
4122 FOG FCG FCD ga_13
4123 FCG FOG FHG ga_12
4124 FCG FCD FOD ga_13
4125 FCG FCD FCE ga_15
4126 FOD FCD FCE ga_15
4127 FCD FOD FHD ga_12
4128 FCD FCE FOZ ga_15
4129 FCE FOZ FPH ga_26
4130 FOZ FPH FOH ga_5
4131 FOZ FPH FOT1 ga_14
4132 FOZ FPH FOT2 ga_14
4133 FOH FPH FOT1 ga_14
4134 FOH FPH FOT2 ga_14
4135 FOT1 FPH FOT2 ga_29
4136 FPH FOH FHH ga_12
4137 [ impropers ]
4138 ; ai aj ak al gromos type
4139 FC9A FN10 FC9 FC5A gi_1
4140 FC9A FC5A FC6 FC7 gi_1
4141 FN10 FC9A FC5A FN5 gi_1
4142 FN10 FC10A FC4A FN5 gi_1
4143 FC10A FN1 FC2 FN3 gi_1
4144 FN1 FC10A FC4A FC4 gi_1
4145 FN1 FC2 FN3 FC4 gi_1
4146 FC2 FN1 FN3 FO2 gi_1
4147 FC2 FN3 FC4 FC4A gi_1
4148 FN3 FC2 FC4 FH3 gi_1
4149 FN3 FC4 FC4A FC10A gi_1
4150 FC4 FN3 FC4A FO4 gi_1
4151 FC4A FN10 FN1 FC10A gi_1
4152 FC4A FC10A FN1 FC2 gi_1
4153 FC4A FC4 FN5 FC10A gi_1
4154 FC5A FC9A FC9 FC8 gi_1
4155 FC5A FN5 FC6 FC9A gi_1
4156 FC5A FC6 FC7 FC8 gi_1
4157 FC6 FC7 FC8 FC9 gi_1
4158 FC7 FC6 FC8 FCM7 gi_1
4159 FC7 FC8 FC9 FC9A gi_1
4160 FC8 FC7 FC9 FCM8 gi_1
4161 FC9 FC9A FC5A FC6 gi_1
4162 FCB FOB FCG FCA gi_2
4163 FCG FOG FCD FCB gi_2
4164 FCD FOD FCE FCG gi_2
4165 [ dihedrals ]
4166 ; ai aj ak al gromos type
4167 FC5A FC9A FN10 FC10A gd_14
4168 FC9A FN10 FC10A FC4A gd_14
4169 FC9A FN10 FCA FCB gd_40
4170 FC10A FC4A FN5 FC5A gd_14
4171 FC4A FN5 FC5A FC9A gd_14
4172 FN10 FCA FCB FCG gd_34
4173 FCA FCB FOB FHB gd_23
4174 FCA FCB FCG FCD gd_34
4175 FCB FCG FOG FHG gd_23
4176 FCB FCG FCD FCE gd_34
4177 FCG FCD FOD FHD gd_23
4178 FCG FCD FCE FOZ gd_34
4179 FCD FCE FOZ FPH gd_29
4180 FCE FOZ FPH FOH gd_19
4181 FCE FOZ FPH FOH gd_22
4182 FOZ FPH FOH FHH gd_19
4183 FOZ FPH FOH FHH gd_22
4185 [ FMNS ]
4186 [ atoms ]
4187 FC9A C 0.20000 0
4188 FN10 NR -0.20000 0
4189 FC10A C 0.36000 1
4190 FN1 NR -0.36000 1
4191 FC2 C 0.38000 2
4192 FO2 O -0.38000 2
4193 FN3 NR -0.28000 3
4194 FH3 H 0.28000 3
4195 FC4 C 0.38000 4
4196 FO4 O -0.38000 4
4197 FC4A C 0.00000 5
4198 FN5 NR -0.28000 6
4199 FH5 H 0.28000 6
4200 FC5A C 0.00000 7
4201 FC6 CR1 0.00000 8
4202 FC7 C 0.00000 9
4203 FCM7 CH3 0.00000 9
4204 FC8 C 0.00000 10
4205 FCM8 CH3 0.00000 10
4206 FC9 CR1 0.00000 11
4207 FCA CH2 0.00000 12
4208 FCB CH1 0.15000 13
4209 FOB OA -0.54800 13
4210 FHB H 0.39800 13
4211 FCG CH1 0.15000 14
4212 FOG OA -0.54800 14
4213 FHG H 0.39800 14
4214 FCD CH1 0.15000 15
4215 FOD OA -0.54800 15
4216 FHD H 0.39800 15
4217 FCE CH2 0.15000 16
4218 FOZ OA -0.36000 16
4219 FPH P 0.63000 16
4220 FOH OA -0.54800 16
4221 FHH H 0.39800 16
4222 FOT1 OM -0.63500 16
4223 FOT2 OM -0.63500 16
4224 [ bonds ]
4225 FC9A FN10 gb_17
4226 FC9A FC5A gb_16
4227 FC9A FC9 gb_16
4228 FN10 FC10A gb_17
4229 FN10 FCA gb_23
4230 FC10A FN1 gb_12
4231 FC10A FC4A gb_16
4232 FN1 FC2 gb_12
4233 FC2 FO2 gb_5
4234 FC2 FN3 gb_17
4235 FN3 FH3 gb_2
4236 FN3 FC4 gb_17
4237 FC4 FO4 gb_5
4238 FC4 FC4A gb_16
4239 FC4A FN5 gb_17
4240 FN5 FH5 gb_2
4241 FN5 FC5A gb_17
4242 FC5A FC6 gb_16
4243 FC6 FC7 gb_16
4244 FC7 FCM7 gb_27
4245 FC7 FC8 gb_16
4246 FC8 FCM8 gb_27
4247 FC8 FC9 gb_16
4248 FCA FCB gb_27
4249 FCB FOB gb_18
4250 FCB FCG gb_27
4251 FOB FHB gb_1
4252 FCG FOG gb_18
4253 FCG FCD gb_27
4254 FOG FHG gb_1
4255 FCD FOD gb_18
4256 FCD FCE gb_27
4257 FOD FHD gb_1
4258 FCE FOZ gb_18
4259 FOZ FPH gb_28
4260 FPH FOH gb_28
4261 FPH FOT1 gb_24
4262 FPH FOT2 gb_24
4263 FOH FHH gb_1
4264 [ exclusions ]
4265 ; ai aj
4266 FC9A FN1
4267 FC9A FC4A
4268 FC9A FH5
4269 FC9A FC7
4270 FC9A FCM8
4271 FN10 FC2
4272 FN10 FC4
4273 FN10 FN5
4274 FN10 FC6
4275 FN10 FC8
4276 FC10A FO2
4277 FC10A FN3
4278 FC10A FO4
4279 FC10A FH5
4280 FC10A FC5A
4281 FC10A FC9
4282 FN1 FH3
4283 FN1 FC4
4284 FN1 FN5
4285 FN1 FCA
4286 FC2 FO4
4287 FC2 FC4A
4288 FO2 FH3
4289 FO2 FC4
4290 FN3 FN5
4291 FH3 FO4
4292 FH3 FC4A
4293 FC4 FH5
4294 FC4 FC5A
4295 FO4 FN5
4296 FC4A FC6
4297 FC4A FCA
4298 FN5 FC7
4299 FN5 FC9
4300 FH5 FC6
4301 FC5A FCM7
4302 FC5A FC8
4303 FC5A FCA
4304 FC6 FCM8
4305 FC6 FC9
4306 FCM7 FCM8
4307 FCM7 FC9
4308 FC9 FCA
4309 FOZ FHH
4310 FHH FOT1
4311 FHH FOT2
4312 [ angles ]
4313 ; ai aj ak gromos type
4314 FN10 FC9A FC5A ga_27
4315 FN10 FC9A FC9 ga_27
4316 FC5A FC9A FC9 ga_27
4317 FC9A FN10 FC10A ga_27
4318 FC9A FN10 FCA ga_27
4319 FC10A FN10 FCA ga_27
4320 FN10 FC10A FN1 ga_27
4321 FN10 FC10A FC4A ga_27
4322 FN1 FC10A FC4A ga_27
4323 FC10A FN1 FC2 ga_27
4324 FN1 FC2 FO2 ga_27
4325 FN1 FC2 FN3 ga_27
4326 FO2 FC2 FN3 ga_27
4327 FC2 FN3 FH3 ga_25
4328 FC2 FN3 FC4 ga_27
4329 FH3 FN3 FC4 ga_25
4330 FN3 FC4 FO4 ga_27
4331 FN3 FC4 FC4A ga_27
4332 FO4 FC4 FC4A ga_27
4333 FC10A FC4A FC4 ga_27
4334 FC10A FC4A FN5 ga_27
4335 FC4 FC4A FN5 ga_27
4336 FC4A FN5 FH5 ga_25
4337 FC4A FN5 FC5A ga_27
4338 FH5 FN5 FC5A ga_25
4339 FC9A FC5A FN5 ga_27
4340 FC9A FC5A FC6 ga_27
4341 FN5 FC5A FC6 ga_27
4342 FC5A FC6 FC7 ga_27
4343 FC6 FC7 FCM7 ga_27
4344 FC6 FC7 FC8 ga_27
4345 FCM7 FC7 FC8 ga_27
4346 FC7 FC8 FCM8 ga_27
4347 FC7 FC8 FC9 ga_27
4348 FCM8 FC8 FC9 ga_27
4349 FC9A FC9 FC8 ga_27
4350 FN10 FCA FCB ga_15
4351 FCA FCB FOB ga_15
4352 FCA FCB FCG ga_15
4353 FOB FCB FCG ga_13
4354 FCB FOB FHB ga_12
4355 FCB FCG FOG ga_13
4356 FCB FCG FCD ga_15
4357 FOG FCG FCD ga_13
4358 FCG FOG FHG ga_12
4359 FCG FCD FOD ga_13
4360 FCG FCD FCE ga_15
4361 FOD FCD FCE ga_15
4362 FCD FOD FHD ga_12
4363 FCD FCE FOZ ga_15
4364 FCE FOZ FPH ga_26
4365 FOZ FPH FOH ga_5
4366 FOZ FPH FOT1 ga_14
4367 FOZ FPH FOT2 ga_14
4368 FOH FPH FOT1 ga_14
4369 FOH FPH FOT2 ga_14
4370 FOT1 FPH FOT2 ga_29
4371 FPH FOH FHH ga_12
4372 [ impropers ]
4373 ; ai aj ak al gromos type
4374 FC9A FN10 FC9 FC5A gi_1
4375 FC9A FC5A FC6 FC7 gi_1
4376 FN10 FC9A FC5A FN5 gi_1
4377 FN10 FC10A FC4A FN5 gi_1
4378 FC10A FN1 FC2 FN3 gi_1
4379 FN1 FC10A FC4A FC4 gi_1
4380 FN1 FC2 FN3 FC4 gi_1
4381 FC2 FN1 FN3 FO2 gi_1
4382 FC2 FN3 FC4 FC4A gi_1
4383 FN3 FC2 FC4 FH3 gi_1
4384 FN3 FC4 FC4A FC10A gi_1
4385 FC4 FN3 FC4A FO4 gi_1
4386 FC4A FN10 FN1 FC10A gi_1
4387 FC4A FC10A FN1 FC2 gi_1
4388 FC4A FC4 FN5 FC10A gi_1
4389 FC5A FC9A FC9 FC8 gi_1
4390 FC5A FN5 FC6 FC9A gi_1
4391 FC5A FC6 FC7 FC8 gi_1
4392 FC6 FC7 FC8 FC9 gi_1
4393 FC7 FC6 FC8 FCM7 gi_1
4394 FC7 FC8 FC9 FC9A gi_1
4395 FC8 FC7 FC9 FCM8 gi_1
4396 FC9 FC9A FC5A FC6 gi_1
4397 FCB FOB FCG FCA gi_2
4398 FCG FOG FCD FCB gi_2
4399 FCD FOD FCE FCG gi_2
4400 [ dihedrals ]
4401 ; ai aj ak al gromos type
4402 FC5A FC9A FN10 FC10A gd_14
4403 FC9A FN10 FC10A FC4A gd_14
4404 FC9A FN10 FCA FCB gd_40
4405 FC10A FC4A FN5 FC5A gd_14
4406 FC4A FN5 FC5A FC9A gd_14
4407 FN10 FCA FCB FCG gd_34
4408 FCA FCB FOB FHB gd_23
4409 FCA FCB FCG FCD gd_34
4410 FCB FCG FOG FHG gd_23
4411 FCB FCG FCD FCE gd_34
4412 FCG FCD FOD FHD gd_23
4413 FCG FCD FCE FOZ gd_34
4414 FCD FCE FOZ FPH gd_29
4415 FCE FOZ FPH FOH gd_19
4416 FCE FOZ FPH FOH gd_22
4417 FOZ FPH FOH FHH gd_19
4418 FOZ FPH FOH FHH gd_22
4420 [ FMNR ]
4421 [ atoms ]
4422 FC9A C 0.10000 0
4423 FN10 NR -0.20000 0
4424 FC10A C 0.10000 0
4425 FN1 NR -0.28000 1
4426 FH1 H 0.28000 1
4427 FC2 C 0.38000 2
4428 FO2 O -0.38000 2
4429 FN3 NR -0.28000 3
4430 FH3 H 0.28000 3
4431 FC4 C 0.38000 4
4432 FO4 O -0.38000 4
4433 FC4A C 0.00000 5
4434 FN5 NR -0.28000 6
4435 FH5 H 0.28000 6
4436 FC5A C 0.00000 7
4437 FC6 CR1 0.00000 8
4438 FC7 C 0.00000 9
4439 FCM7 CH3 0.00000 9
4440 FC8 C 0.00000 10
4441 FCM8 CH3 0.00000 10
4442 FC9 CR1 0.00000 11
4443 FCA CH2 0.00000 12
4444 FCB CH1 0.15000 13
4445 FOB OA -0.54800 13
4446 FHB H 0.39800 13
4447 FCG CH1 0.15000 14
4448 FOG OA -0.54800 14
4449 FHG H 0.39800 14
4450 FCD CH1 0.15000 15
4451 FOD OA -0.54800 15
4452 FHD H 0.39800 15
4453 FCE CH2 0.15000 16
4454 FOZ OA -0.36000 16
4455 FPH P 0.63000 16
4456 FOH OA -0.54800 16
4457 FHH H 0.39800 16
4458 FOT1 OM -0.63500 16
4459 FOT2 OM -0.63500 16
4460 [ bonds ]
4461 FC9A FN10 gb_17
4462 FC9A FC5A gb_16
4463 FC9A FC9 gb_16
4464 FN10 FC10A gb_17
4465 FN10 FCA gb_23
4466 FC10A FN1 gb_17
4467 FC10A FC4A gb_16
4468 FN1 FH1 gb_2
4469 FN1 FC2 gb_17
4470 FC2 FO2 gb_15
4471 FC2 FN3 gb_17
4472 FN3 FH3 gb_2
4473 FN3 FC4 gb_17
4474 FC4 FO4 gb_5
4475 FC4 FC4A gb_16
4476 FC4A FN5 gb_17
4477 FN5 FH5 gb_2
4478 FN5 FC5A gb_17
4479 FC5A FC6 gb_16
4480 FC6 FC7 gb_16
4481 FC7 FCM7 gb_27
4482 FC7 FC8 gb_16
4483 FC8 FCM8 gb_27
4484 FC8 FC9 gb_16
4485 FCA FCB gb_27
4486 FCB FOB gb_18
4487 FCB FCG gb_27
4488 FOB FHB gb_1
4489 FCG FOG gb_18
4490 FCG FCD gb_27
4491 FOG FHG gb_1
4492 FCD FOD gb_18
4493 FCD FCE gb_27
4494 FOD FHD gb_1
4495 FCE FOZ gb_18
4496 FOZ FPH gb_28
4497 FPH FOH gb_28
4498 FPH FOT1 gb_24
4499 FPH FOT2 gb_24
4500 FOH FHH gb_1
4501 [ exclusions ]
4502 ; ai aj
4503 FC9A FN1
4504 FC9A FC4A
4505 FC9A FH5
4506 FC9A FC7
4507 FC9A FCM8
4508 FN10 FH1
4509 FN10 FC2
4510 FN10 FC4
4511 FN10 FN5
4512 FN10 FC6
4513 FN10 FC8
4514 FC10A FO2
4515 FC10A FN3
4516 FC10A FO4
4517 FC10A FH5
4518 FC10A FC5A
4519 FC10A FC9
4520 FN1 FH3
4521 FN1 FC4
4522 FN1 FN5
4523 FN1 FCA
4524 FH1 FO2
4525 FH1 FN3
4526 FH1 FC4A
4527 FC2 FO4
4528 FC2 FC4A
4529 FO2 FH3
4530 FO2 FC4
4531 FN3 FN5
4532 FH3 FO4
4533 FH3 FC4A
4534 FC4 FH5
4535 FC4 FC5A
4536 FO4 FN5
4537 FC4A FC6
4538 FC4A FCA
4539 FN5 FC7
4540 FN5 FC9
4541 FH5 FC6
4542 FC5A FCM7
4543 FC5A FC8
4544 FC5A FCA
4545 FC6 FCM8
4546 FC6 FC9
4547 FCM7 FCM8
4548 FCM7 FC9
4549 FC9 FCA
4550 FOZ FHH
4551 FHH FOT1
4552 FHH FOT2
4553 FOT1 +N
4554 [ angles ]
4555 ; ai aj ak gromos type
4556 FN10 FC9A FC5A ga_27
4557 FN10 FC9A FC9 ga_27
4558 FC5A FC9A FC9 ga_27
4559 FC9A FN10 FC10A ga_27
4560 FC9A FN10 FCA ga_27
4561 FC10A FN10 FCA ga_27
4562 FN10 FC10A FN1 ga_27
4563 FN10 FC10A FC4A ga_27
4564 FN1 FC10A FC4A ga_27
4565 FC10A FN1 FH1 ga_25
4566 FC10A FN1 FC2 ga_27
4567 FH1 FN1 FC2 ga_25
4568 FN1 FC2 FO2 ga_27
4569 FN1 FC2 FN3 ga_27
4570 FO2 FC2 FN3 ga_27
4571 FC2 FN3 FH3 ga_25
4572 FC2 FN3 FC4 ga_27
4573 FH3 FN3 FC4 ga_25
4574 FN3 FC4 FO4 ga_27
4575 FN3 FC4 FC4A ga_27
4576 FO4 FC4 FC4A ga_27
4577 FC10A FC4A FC4 ga_27
4578 FC10A FC4A FN5 ga_27
4579 FC4 FC4A FN5 ga_27
4580 FC4A FN5 FH5 ga_25
4581 FC4A FN5 FC5A ga_27
4582 FH5 FN5 FC5A ga_25
4583 FC9A FC5A FN5 ga_27
4584 FC9A FC5A FC6 ga_27
4585 FN5 FC5A FC6 ga_27
4586 FC5A FC6 FC7 ga_27
4587 FC6 FC7 FCM7 ga_27
4588 FC6 FC7 FC8 ga_27
4589 FCM7 FC7 FC8 ga_27
4590 FC7 FC8 FCM8 ga_27
4591 FC7 FC8 FC9 ga_27
4592 FCM8 FC8 FC9 ga_27
4593 FC9A FC9 FC8 ga_27
4594 FN10 FCA FCB ga_15
4595 FCA FCB FOB ga_15
4596 FCA FCB FCG ga_15
4597 FOB FCB FCG ga_13
4598 FCB FOB FHB ga_12
4599 FCB FCG FOG ga_13
4600 FCB FCG FCD ga_15
4601 FOG FCG FCD ga_13
4602 FCG FOG FHG ga_12
4603 FCG FCD FOD ga_13
4604 FCG FCD FCE ga_15
4605 FOD FCD FCE ga_15
4606 FCD FOD FHD ga_12
4607 FCD FCE FOZ ga_15
4608 FCE FOZ FPH ga_26
4609 FOZ FPH FOH ga_5
4610 FOZ FPH FOT1 ga_14
4611 FOZ FPH FOT2 ga_14
4612 FOH FPH FOT1 ga_14
4613 FOH FPH FOT2 ga_14
4614 FOT1 FPH FOT2 ga_29
4615 FPH FOH FHH ga_12
4616 [ impropers ]
4617 ; ai aj ak al gromos type
4618 FC9A FN10 FC9 FC5A gi_1
4619 FC9A FC5A FC6 FC7 gi_1
4620 FN10 FC9A FC5A FN5 gi_1
4621 FN10 FC10A FC4A FN5 gi_1
4622 FC10A FN1 FC2 FN3 gi_1
4623 FN1 FC10A FC2 FH1 gi_1
4624 FN1 FC10A FC4A FC4 gi_1
4625 FN1 FC2 FN3 FC4 gi_1
4626 FC2 FN1 FN3 FO2 gi_1
4627 FC2 FN3 FC4 FC4A gi_1
4628 FN3 FC2 FC4 FH3 gi_1
4629 FN3 FC4 FC4A FC10A gi_1
4630 FC4 FN3 FC4A FO4 gi_1
4631 FC4A FN10 FN1 FC10A gi_1
4632 FC4A FC10A FN1 FC2 gi_1
4633 FC4A FC4 FN5 FC10A gi_1
4634 FC5A FC9A FC9 FC8 gi_1
4635 FC5A FN5 FC6 FC9A gi_1
4636 FC5A FC6 FC7 FC8 gi_1
4637 FC6 FC7 FC8 FC9 gi_1
4638 FC7 FC6 FC8 FCM7 gi_1
4639 FC7 FC8 FC9 FC9A gi_1
4640 FC8 FC7 FC9 FCM8 gi_1
4641 FC9 FC9A FC5A FC6 gi_1
4642 FCB FOB FCG FCA gi_2
4643 FCG FOG FCD FCB gi_2
4644 FCD FOD FCE FCG gi_2
4645 [ dihedrals ]
4646 ; ai aj ak al gromos type
4647 FC5A FC9A FN10 FC10A gd_14
4648 FC9A FN10 FC10A FC4A gd_14
4649 FC9A FN10 FCA FCB gd_40
4650 FC10A FC4A FN5 FC5A gd_14
4651 FC4A FN5 FC5A FC9A gd_14
4652 FN10 FCA FCB FCG gd_34
4653 FCA FCB FOB FHB gd_23
4654 FCA FCB FCG FCD gd_34
4655 FCB FCG FOG FHG gd_23
4656 FCB FCG FCD FCE gd_34
4657 FCG FCD FOD FHD gd_23
4658 FCG FCD FCE FOZ gd_34
4659 FCD FCE FOZ FPH gd_29
4660 FCE FOZ FPH FOH gd_19
4661 FCE FOZ FPH FOH gd_22
4662 FOZ FPH FOH FHH gd_19
4663 FOZ FPH FOH FHH gd_22
4665 [ PFN ]
4666 [ atoms ]
4667 FC9A C 0.00000 0
4668 FC10 CR1 0.00000 0
4669 FC10A C 0.00000 0
4670 FC1 CR1 0.00000 1
4671 FC2 CR1 0.00000 1
4672 FC3 C 0.00000 2
4673 FN3 NT -0.83000 3
4674 FH31 H 0.41500 3
4675 FH32 H 0.41500 3
4676 FC4 CR1 0.00000 4
4677 FC4A C 0.15000 5
4678 FN5 NR 0.28500 5
4679 FH5 H 0.41500 5
4680 FC5A C 0.15000 5
4681 FC6 CR1 0.00000 6
4682 FC7 C 0.00000 7
4683 FN7 NT -0.83000 8
4684 FH71 H 0.41500 8
4685 FH72 H 0.41500 8
4686 FC8 CR1 0.00000 9
4687 FC9 CR1 0.00000 9
4688 [ bonds ]
4689 FC9A FC10 gb_16
4690 FC9A FC5A gb_16
4691 FC9A FC9 gb_16
4692 FC10 FC10A gb_16
4693 FC10A FC1 gb_16
4694 FC10A FC4A gb_16
4695 FC1 FC2 gb_16
4696 FC2 FC3 gb_16
4697 FC3 FN3 gb_9
4698 FC3 FC4 gb_16
4699 FN3 FH31 gb_2
4700 FN3 FH32 gb_2
4701 FC4 FC4A gb_16
4702 FC4A FN5 gb_17
4703 FN5 FH5 gb_2
4704 FN5 FC5A gb_17
4705 FC5A FC6 gb_16
4706 FC6 FC7 gb_16
4707 FC7 FN7 gb_9
4708 FC7 FC8 gb_16
4709 FN7 FH71 gb_2
4710 FN7 FH72 gb_2
4711 FC8 FC9 gb_16
4712 [ exclusions ]
4713 ; ai aj
4714 FC9A FC1
4715 FC9A FC4A
4716 FC9A FH5
4717 FC9A FC7
4718 FC10 FC2
4719 FC10 FC4
4720 FC10 FN5
4721 FC10 FC6
4722 FC10 FC8
4723 FC10A FC3
4724 FC10A FH5
4725 FC10A FC5A
4726 FC10A FC9
4727 FC1 FN3
4728 FC1 FC4
4729 FC1 FN5
4730 FC2 FC4A
4731 FC3 FN5
4732 FN3 FC4A
4733 FC4 FH5
4734 FC4 FC5A
4735 FC4A FC6
4736 FN5 FC7
4737 FN5 FC9
4738 FH5 FC6
4739 FC5A FN7
4740 FC5A FC8
4741 FC6 FC9
4742 FN7 FC9
4743 [ angles ]
4744 ; ai aj ak gromos type
4745 FC10 FC9A FC5A ga_27
4746 FC10 FC9A FC9 ga_27
4747 FC5A FC9A FC9 ga_27
4748 FC9A FC10 FC10A ga_27
4749 FC10 FC10A FC1 ga_27
4750 FC10 FC10A FC4A ga_27
4751 FC1 FC10A FC4A ga_27
4752 FC10A FC1 FC2 ga_27
4753 FC1 FC2 FC3 ga_27
4754 FC2 FC3 FN3 ga_27
4755 FC2 FC3 FC4 ga_27
4756 FN3 FC3 FC4 ga_27
4757 FC3 FN3 FH31 ga_23
4758 FC3 FN3 FH32 ga_23
4759 FH31 FN3 FH32 ga_24
4760 FC3 FC4 FC4A ga_27
4761 FC10A FC4A FC4 ga_27
4762 FC10A FC4A FN5 ga_27
4763 FC4 FC4A FN5 ga_27
4764 FC4A FN5 FH5 ga_25
4765 FC4A FN5 FC5A ga_27
4766 FH5 FN5 FC5A ga_25
4767 FC9A FC5A FN5 ga_27
4768 FC9A FC5A FC6 ga_27
4769 FN5 FC5A FC6 ga_27
4770 FC5A FC6 FC7 ga_27
4771 FC6 FC7 FN7 ga_27
4772 FC6 FC7 FC8 ga_27
4773 FN7 FC7 FC8 ga_27
4774 FC7 FN7 FH71 ga_23
4775 FC7 FN7 FH72 ga_23
4776 FH71 FN7 FH72 ga_24
4777 FC7 FC8 FC9 ga_27
4778 FC9A FC9 FC8 ga_27
4779 [ impropers ]
4780 ; ai aj ak al gromos type
4781 FC9A FC10 FC10A FC4A gi_1
4782 FC9A FC10 FC9 FC5A gi_1
4783 FC9A FC5A FC6 FC7 gi_1
4784 FC10 FC9A FC5A FN5 gi_1
4785 FC10 FC10A FC4A FN5 gi_1
4786 FC10A FC1 FC2 FC3 gi_1
4787 FC10A FC4A FN5 FC5A gi_1
4788 FC1 FC10A FC4A FC4 gi_1
4789 FC1 FC2 FC3 FC4 gi_1
4790 FC2 FC3 FC4 FC4A gi_1
4791 FC3 FC2 FC4 FN3 gi_1
4792 FC3 FC4 FC4A FC10A gi_1
4793 FN3 FH31 FH32 FC3 gi_1
4794 FC4A FC10 FC1 FC10A gi_1
4795 FC4A FC10A FC1 FC2 gi_1
4796 FC4A FC4 FN5 FC10A gi_1
4797 FC4A FN5 FC5A FC9A gi_1
4798 FN5 FC4A FC5A FH5 gi_1
4799 FC5A FC9A FC10 FC10A gi_1
4800 FC5A FC9A FC9 FC8 gi_1
4801 FC5A FN5 FC6 FC9A gi_1
4802 FC5A FC6 FC7 FC8 gi_1
4803 FC6 FC7 FC8 FC9 gi_1
4804 FC7 FC8 FC9 FC9A gi_1
4805 FN7 FC6 FC8 FC7 gi_1
4806 FN7 FH71 FH72 FC7 gi_1
4807 FC9 FC9A FC5A FC6 gi_1
4808 [ dihedrals ]
4809 ; ai aj ak al gromos type
4810 FC2 FC3 FN3 FH31 gd_14
4811 FC8 FC7 FN7 FH71 gd_14
4813 [ NADP ]
4814 [ atoms ]
4815 AP P 0.76000 0
4816 AO1P OM -0.63500 0
4817 AO2P OM -0.63500 0
4818 AO5* OA -0.36000 0
4819 O3P OA -0.26000 1
4820 NP P 0.76000 1
4821 NO1P OM -0.63500 1
4822 NO2P OM -0.63500 1
4823 NO5* OA -0.36000 1
4824 AC5* CH2 0.00000 2
4825 AC4* CH1 0.16000 3
4826 AO4* OA -0.36000 3
4827 AC1* CH1 0.20000 3
4828 AN9 NR -0.20000 4
4829 AC4 C 0.20000 4
4830 AN3 NR -0.36000 5
4831 AC2 CR1 0.36000 5
4832 AN1 NR -0.36000 6
4833 AC6 C 0.36000 6
4834 AN6 NT -0.83000 7
4835 AH61 H 0.41500 7
4836 AH62 H 0.41500 7
4837 AC5 C 0.00000 8
4838 AN7 NR -0.36000 8
4839 AC8 CR1 0.36000 8
4840 AC2* CH1 0.15000 9
4841 AO2* OA -0.54800 9
4842 AH2* H 0.39800 9
4843 AC3* CH1 0.15000 10
4844 AO3* OA -0.54800 10
4845 AH3* H 0.39800 10
4846 NC5* CH2 0.00000 11
4847 NC4* CH1 0.16000 12
4848 NO4* OA -0.36000 12
4849 NC1* CH1 0.20000 12
4850 NN1 NR 0.10000 13
4851 NC6 CR1 0.30000 13
4852 NC2 CR1 0.25000 13
4853 NC3 C 0.00000 13
4854 NC4 CR1 0.25000 13
4855 NC5 CR1 0.10000 13
4856 NC7 C 0.38000 14
4857 NO7 O -0.38000 14
4858 NN7 NT -0.83000 15
4859 NH71 H 0.41500 15
4860 NH72 H 0.41500 15
4861 NC2* CH1 0.15000 16
4862 NO2* OA -0.54800 16
4863 NH2* H 0.39800 16
4864 NC3* CH1 0.15000 17
4865 NO3* OA -0.54800 17
4866 NH3* H 0.39800 17
4867 [ bonds ]
4868 AP AO1P gb_24
4869 AP AO2P gb_24
4870 AP AO5* gb_28
4871 AP O3P gb_28
4872 AO5* AC5* gb_20
4873 O3P NP gb_28
4874 NP NO1P gb_24
4875 NP NO2P gb_24
4876 NP NO5* gb_28
4877 NO5* NC5* gb_20
4878 AC5* AC4* gb_26
4879 AC4* AO4* gb_20
4880 AC4* AC3* gb_26
4881 AO4* AC1* gb_20
4882 AC1* AN9 gb_22
4883 AC1* AC2* gb_26
4884 AN9 AC4 gb_10
4885 AN9 AC8 gb_10
4886 AC4 AN3 gb_12
4887 AC4 AC5 gb_16
4888 AN3 AC2 gb_7
4889 AC2 AN1 gb_7
4890 AN1 AC6 gb_12
4891 AC6 AN6 gb_9
4892 AC6 AC5 gb_16
4893 AN6 AH61 gb_2
4894 AN6 AH62 gb_2
4895 AC5 AN7 gb_10
4896 AN7 AC8 gb_10
4897 AC2* AO2* gb_20
4898 AC2* AC3* gb_26
4899 AO2* AH2* gb_1
4900 AC3* AO3* gb_20
4901 AO3* AH3* gb_1
4902 NC5* NC4* gb_26
4903 NC4* NO4* gb_20
4904 NC4* NC3* gb_26
4905 NO4* NC1* gb_20
4906 NC1* NN1 gb_23
4907 NC1* NC2* gb_26
4908 NN1 NC6 gb_17
4909 NN1 NC2 gb_17
4910 NC6 NC5 gb_16
4911 NC2 NC3 gb_16
4912 NC3 NC4 gb_16
4913 NC3 NC7 gb_27
4914 NC4 NC5 gb_16
4915 NC7 NO7 gb_5
4916 NC7 NN7 gb_9
4917 NN7 NH71 gb_2
4918 NN7 NH72 gb_2
4919 NC2* NO2* gb_20
4920 NC2* NC3* gb_26
4921 NO2* NH2* gb_1
4922 NC3* NO3* gb_20
4923 NO3* NH3* gb_1
4924 [ exclusions ]
4925 ; ai aj
4926 AC1* AN3
4927 AC1* AC5
4928 AC1* AN7
4929 AN9 AC2
4930 AN9 AC6
4931 AC4 AN1
4932 AC4 AN6
4933 AN3 AC6
4934 AN3 AN7
4935 AN3 AC8
4936 AC2 AN6
4937 AC2 AC5
4938 AN1 AN7
4939 AC6 AC8
4940 AN6 AN7
4941 NC1* NC3
4942 NC1* NC5
4943 NN1 NC4
4944 NN1 NC7
4945 NC6 NC3
4946 NC2 NC5
4947 NC5 NC7
4948 [ angles ]
4949 ; ai aj ak gromos type
4950 AO1P AP AO2P ga_29
4951 AO1P AP AO5* ga_14
4952 AO1P AP O3P ga_14
4953 AO2P AP AO5* ga_14
4954 AO2P AP O3P ga_14
4955 AO5* AP O3P ga_5
4956 AP AO5* AC5* ga_26
4957 AP O3P NP ga_26
4958 O3P NP NO1P ga_14
4959 O3P NP NO2P ga_14
4960 O3P NP NO5* ga_5
4961 NO1P NP NO2P ga_29
4962 NO1P NP NO5* ga_14
4963 NO2P NP NO5* ga_14
4964 NP NO5* NC5* ga_26
4965 AO5* AC5* AC4* ga_9
4966 AC5* AC4* AO4* ga_9
4967 AC5* AC4* AC3* ga_8
4968 AO4* AC4* AC3* ga_9
4969 AC4* AO4* AC1* ga_10
4970 AO4* AC1* AN9 ga_9
4971 AO4* AC1* AC2* ga_9
4972 AN9 AC1* AC2* ga_9
4973 AC1* AN9 AC4 ga_37
4974 AC1* AN9 AC8 ga_37
4975 AC4 AN9 AC8 ga_7
4976 AN9 AC4 AN3 ga_39
4977 AN9 AC4 AC5 ga_7
4978 AN3 AC4 AC5 ga_27
4979 AC4 AN3 AC2 ga_27
4980 AN3 AC2 AN1 ga_27
4981 AC2 AN1 AC6 ga_27
4982 AN1 AC6 AN6 ga_27
4983 AN1 AC6 AC5 ga_27
4984 AN6 AC6 AC5 ga_27
4985 AC6 AN6 AH61 ga_23
4986 AC6 AN6 AH62 ga_23
4987 AH61 AN6 AH62 ga_24
4988 AC4 AC5 AC6 ga_27
4989 AC4 AC5 AN7 ga_7
4990 AC6 AC5 AN7 ga_39
4991 AC5 AN7 AC8 ga_7
4992 AN9 AC8 AN7 ga_7
4993 AC1* AC2* AO2* ga_9
4994 AC1* AC2* AC3* ga_8
4995 AO2* AC2* AC3* ga_9
4996 AC2* AO2* AH2* ga_12
4997 AC4* AC3* AC2* ga_8
4998 AC4* AC3* AO3* ga_9
4999 AC2* AC3* AO3* ga_9
5000 AC3* AO3* AH3* ga_12
5001 NO5* NC5* NC4* ga_9
5002 NC5* NC4* NO4* ga_9
5003 NC5* NC4* NC3* ga_8
5004 NO4* NC4* NC3* ga_9
5005 NC4* NO4* NC1* ga_10
5006 NO4* NC1* NN1 ga_9
5007 NO4* NC1* NC2* ga_9
5008 NN1 NC1* NC2* ga_8
5009 NC1* NN1 NC6 ga_27
5010 NC1* NN1 NC2 ga_27
5011 NC6 NN1 NC2 ga_27
5012 NN1 NC6 NC5 ga_27
5013 NN1 NC2 NC3 ga_27
5014 NC2 NC3 NC4 ga_27
5015 NC2 NC3 NC7 ga_27
5016 NC4 NC3 NC7 ga_27
5017 NC3 NC4 NC5 ga_27
5018 NC6 NC5 NC4 ga_27
5019 NC3 NC7 NO7 ga_30
5020 NC3 NC7 NN7 ga_19
5021 NO7 NC7 NN7 ga_33
5022 NC7 NN7 NH71 ga_23
5023 NC7 NN7 NH72 ga_23
5024 NH71 NN7 NH72 ga_24
5025 NC1* NC2* NO2* ga_9
5026 NC1* NC2* NC3* ga_8
5027 NO2* NC2* NC3* ga_9
5028 NC2* NO2* NH2* ga_12
5029 NC4* NC3* NC2* ga_8
5030 NC4* NC3* NO3* ga_9
5031 NC2* NC3* NO3* ga_9
5032 NC3* NO3* NH3* ga_12
5033 [ impropers ]
5034 ; ai aj ak al gromos type
5035 AC1* AC4 AC8 AN9 gi_1
5036 AN9 AC4 AC5 AN7 gi_1
5037 AC4 AN9 AN3 AC5 gi_1
5038 AC4 AN9 AC8 AN7 gi_1
5039 AC4 AN3 AC2 AN1 gi_1
5040 AC4 AC5 AN7 AC8 gi_1
5041 AN3 AC4 AC5 AC6 gi_1
5042 AN3 AC2 AN1 AC6 gi_1
5043 AC2 AN1 AC6 AC5 gi_1
5044 AN1 AC6 AC5 AC4 gi_1
5045 AN6 AN1 AC5 AC6 gi_1
5046 AN6 AH61 AH62 AC6 gi_1
5047 AC5 AC4 AN3 AC2 gi_1
5048 AC5 AC6 AN7 AC4 gi_1
5049 AC5 AN7 AC8 AN9 gi_1
5050 AC8 AN9 AC4 AC5 gi_1
5051 AC2* AO4* AN9 AC1* gi_2
5052 AC2* AO2* AC3* AC1* gi_2
5053 AC3* AC5* AO4* AC4* gi_2
5054 AC3* AC2* AO3* AC4* gi_2
5055 NN1 NC6 NC2 NC1* gi_1
5056 NN1 NC6 NC5 NC4 gi_1
5057 NN1 NC2 NC3 NC4 gi_1
5058 NC6 NN1 NC2 NC3 gi_1
5059 NC2 NN1 NC6 NC5 gi_1
5060 NC2 NC3 NC4 NC5 gi_1
5061 NC3 NC4 NC5 NC6 gi_1
5062 NC7 NC2 NC4 NC3 gi_1
5063 NC7 NO7 NN7 NC3 gi_1
5064 NN7 NH71 NH72 NC7 gi_1
5065 NC2* NO4* NN1 NC1* gi_2
5066 NC2* NO2* NC3* NC1* gi_2
5067 NC3* NC5* NO4* NC4* gi_2
5068 NC3* NC2* NO3* NC4* gi_2
5069 [ dihedrals ]
5070 ; ai aj ak al gromos type
5071 O3P AP AO5* AC5* gd_19
5072 O3P AP AO5* AC5* gd_22
5073 AO5* AP O3P NP gd_19
5074 AO5* AP O3P NP gd_22
5075 AP AO5* AC5* AC4* gd_29
5076 AP O3P NP NO5* gd_19
5077 AP O3P NP NO5* gd_22
5078 O3P NP NO5* NC5* gd_19
5079 O3P NP NO5* NC5* gd_22
5080 NP NO5* NC5* NC4* gd_29
5081 AO5* AC5* AC4* AO4* gd_18
5082 AO5* AC5* AC4* AC3* gd_17
5083 AO5* AC5* AC4* AC3* gd_34
5084 AC3* AC4* AO4* AC1* gd_29
5085 AC5* AC4* AC3* AC2* gd_34
5086 AC5* AC4* AC3* AO3* gd_17
5087 AO4* AC4* AC3* AC2* gd_17
5088 AO4* AC4* AC3* AO3* gd_18
5089 AC4* AO4* AC1* AC2* gd_29
5090 AO4* AC1* AN9 AC4 gd_16
5091 AO4* AC1* AC2* AO2* gd_18
5092 AO4* AC1* AC2* AC3* gd_17
5093 AO4* AC1* AC2* AC3* gd_34
5094 AN9 AC1* AC2* AO2* gd_17
5095 AC5 AC6 AN6 AH61 gd_14
5096 AC1* AC2* AO2* AH2* gd_23
5097 AC1* AC2* AC3* AC4* gd_34
5098 AC1* AC2* AC3* AO3* gd_17
5099 AO2* AC2* AC3* AC4* gd_17
5100 AO2* AC2* AC3* AO3* gd_18
5101 AC4* AC3* AO3* AH3* gd_23
5102 NO5* NC5* NC4* NO4* gd_18
5103 NO5* NC5* NC4* NC3* gd_17
5104 NO5* NC5* NC4* NC3* gd_34
5105 NC3* NC4* NO4* NC1* gd_29
5106 NC5* NC4* NC3* NC2* gd_34
5107 NC5* NC4* NC3* NO3* gd_17
5108 NO4* NC4* NC3* NC2* gd_17
5109 NO4* NC4* NC3* NO3* gd_18
5110 NC4* NO4* NC1* NC2* gd_29
5111 NO4* NC1* NN1 NC2 gd_16
5112 NO4* NC1* NC2* NO2* gd_18
5113 NO4* NC1* NC2* NC3* gd_17
5114 NO4* NC1* NC2* NC3* gd_34
5115 NN1 NC1* NC2* NO2* gd_17
5116 NC2 NC3 NC7 NN7 gd_10
5117 NC3 NC7 NN7 NH71 gd_14
5118 NC1* NC2* NO2* NH2* gd_23
5119 NC1* NC2* NC3* NC4* gd_34
5120 NC1* NC2* NC3* NO3* gd_17
5121 NO2* NC2* NC3* NC4* gd_17
5122 NO2* NC2* NC3* NO3* gd_18
5123 NC4* NC3* NO3* NH3* gd_23
5125 [ NADH ]
5126 [ atoms ]
5127 AP P 0.76000 0
5128 AO1P OM -0.63500 0
5129 AO2P OM -0.63500 0
5130 AO5* OA -0.36000 0
5131 O3P OA -0.26000 1
5132 NP P 0.76000 1
5133 NO1P OM -0.63500 1
5134 NO2P OM -0.63500 1
5135 NO5* OA -0.36000 1
5136 AC5* CH2 0.00000 2
5137 AC4* CH1 0.16000 3
5138 AO4* OA -0.36000 3
5139 AC1* CH1 0.20000 3
5140 AN9 NR -0.20000 4
5141 AC4 C 0.20000 4
5142 AN3 NR -0.36000 5
5143 AC2 CR1 0.36000 5
5144 AN1 NR -0.36000 6
5145 AC6 C 0.36000 6
5146 AN6 NT -0.83000 7
5147 AH61 H 0.41500 7
5148 AH62 H 0.41500 7
5149 AC5 C 0.00000 8
5150 AN7 NR -0.36000 8
5151 AC8 CR1 0.36000 8
5152 AC2* CH1 0.15000 9
5153 AO2* OA -0.54800 9
5154 AH2* H 0.39800 9
5155 AC3* CH1 0.15000 10
5156 AO3* OA -0.54800 10
5157 AH3* H 0.39800 10
5158 NC5* CH2 0.00000 11
5159 NC4* CH1 0.16000 12
5160 NO4* OA -0.36000 12
5161 NC1* CH1 0.20000 12
5162 NN1 NR -0.20000 13
5163 NC6 CR1 0.20000 13
5164 NC2 CR1 0.00000 13
5165 NC3 C 0.00000 13
5166 NC4 CH2 0.00000 13
5167 NC5 CR1 0.00000 13
5168 NC7 C 0.38000 14
5169 NO7 O -0.38000 14
5170 NN7 NT -0.83000 15
5171 NH71 H 0.41500 15
5172 NH72 H 0.41500 15
5173 NC2* CH1 0.15000 16
5174 NO2* OA -0.54800 16
5175 NH2* H 0.39800 16
5176 NC3* CH1 0.15000 17
5177 NO3* OA -0.54800 17
5178 NH3* H 0.39800 17
5179 [ bonds ]
5180 AP AO1P gb_24
5181 AP AO2P gb_24
5182 AP AO5* gb_28
5183 AP O3P gb_28
5184 AO5* AC5* gb_20
5185 O3P NP gb_28
5186 NP NO1P gb_24
5187 NP NO2P gb_24
5188 NP NO5* gb_28
5189 NO5* NC5* gb_20
5190 AC5* AC4* gb_26
5191 AC4* AO4* gb_20
5192 AC4* AC3* gb_26
5193 AO4* AC1* gb_20
5194 AC1* AN9 gb_22
5195 AC1* AC2* gb_26
5196 AN9 AC4 gb_10
5197 AN9 AC8 gb_10
5198 AC4 AN3 gb_12
5199 AC4 AC5 gb_16
5200 AN3 AC2 gb_7
5201 AC2 AN1 gb_7
5202 AN1 AC6 gb_12
5203 AC6 AN6 gb_9
5204 AC6 AC5 gb_16
5205 AN6 AH61 gb_2
5206 AN6 AH62 gb_2
5207 AC5 AN7 gb_10
5208 AN7 AC8 gb_10
5209 AC2* AO2* gb_20
5210 AC2* AC3* gb_26
5211 AO2* AH2* gb_1
5212 AC3* AO3* gb_20
5213 AO3* AH3* gb_1
5214 NC5* NC4* gb_26
5215 NC4* NO4* gb_20
5216 NC4* NC3* gb_26
5217 NO4* NC1* gb_20
5218 NC1* NN1 gb_23
5219 NC1* NC2* gb_26
5220 NN1 NC6 gb_17
5221 NN1 NC2 gb_17
5222 NC6 NC5 gb_16
5223 NC2 NC3 gb_16
5224 NC3 NC4 gb_15
5225 NC3 NC7 gb_27
5226 NC4 NC5 gb_15
5227 NC7 NO7 gb_5
5228 NC7 NN7 gb_9
5229 NN7 NH71 gb_2
5230 NN7 NH72 gb_2
5231 NC2* NO2* gb_20
5232 NC2* NC3* gb_26
5233 NO2* NH2* gb_1
5234 NC3* NO3* gb_20
5235 NO3* NH3* gb_1
5236 [ exclusions ]
5237 ; ai aj
5238 AC1* AN3
5239 AC1* AC5
5240 AC1* AN7
5241 AN9 AC2
5242 AN9 AC6
5243 AC4 AN1
5244 AC4 AN6
5245 AN3 AC6
5246 AN3 AN7
5247 AN3 AC8
5248 AC2 AN6
5249 AC2 AC5
5250 AN1 AN7
5251 AC6 AC8
5252 AN6 AN7
5253 NC1* NC3
5254 NC1* NC5
5255 NN1 NC4
5256 NN1 NC7
5257 NC6 NC3
5258 NC2 NC5
5259 NC5 NC7
5260 [ angles ]
5261 ; ai aj ak gromos type
5262 AO1P AP AO2P ga_29
5263 AO1P AP AO5* ga_14
5264 AO1P AP O3P ga_14
5265 AO2P AP AO5* ga_14
5266 AO2P AP O3P ga_14
5267 AO5* AP O3P ga_5
5268 AP AO5* AC5* ga_26
5269 AP O3P NP ga_26
5270 O3P NP NO1P ga_14
5271 O3P NP NO2P ga_14
5272 O3P NP NO5* ga_5
5273 NO1P NP NO2P ga_29
5274 NO1P NP NO5* ga_14
5275 NO2P NP NO5* ga_14
5276 NP NO5* NC5* ga_26
5277 AO5* AC5* AC4* ga_9
5278 AC5* AC4* AO4* ga_9
5279 AC5* AC4* AC3* ga_8
5280 AO4* AC4* AC3* ga_9
5281 AC4* AO4* AC1* ga_10
5282 AO4* AC1* AN9 ga_9
5283 AO4* AC1* AC2* ga_9
5284 AN9 AC1* AC2* ga_9
5285 AC1* AN9 AC4 ga_37
5286 AC1* AN9 AC8 ga_37
5287 AC4 AN9 AC8 ga_7
5288 AN9 AC4 AN3 ga_39
5289 AN9 AC4 AC5 ga_7
5290 AN3 AC4 AC5 ga_27
5291 AC4 AN3 AC2 ga_27
5292 AN3 AC2 AN1 ga_27
5293 AC2 AN1 AC6 ga_27
5294 AN1 AC6 AN6 ga_27
5295 AN1 AC6 AC5 ga_27
5296 AN6 AC6 AC5 ga_27
5297 AC6 AN6 AH61 ga_23
5298 AC6 AN6 AH62 ga_23
5299 AH61 AN6 AH62 ga_24
5300 AC4 AC5 AC6 ga_27
5301 AC4 AC5 AN7 ga_7
5302 AC6 AC5 AN7 ga_39
5303 AC5 AN7 AC8 ga_7
5304 AN9 AC8 AN7 ga_7
5305 AC1* AC2* AO2* ga_9
5306 AC1* AC2* AC3* ga_8
5307 AO2* AC2* AC3* ga_9
5308 AC2* AO2* AH2* ga_12
5309 AC4* AC3* AC2* ga_8
5310 AC4* AC3* AO3* ga_9
5311 AC2* AC3* AO3* ga_9
5312 AC3* AO3* AH3* ga_12
5313 NO5* NC5* NC4* ga_9
5314 NC5* NC4* NO4* ga_9
5315 NC5* NC4* NC3* ga_8
5316 NO4* NC4* NC3* ga_9
5317 NC4* NO4* NC1* ga_10
5318 NO4* NC1* NN1 ga_9
5319 NO4* NC1* NC2* ga_9
5320 NN1 NC1* NC2* ga_8
5321 NC1* NN1 NC6 ga_27
5322 NC1* NN1 NC2 ga_27
5323 NC6 NN1 NC2 ga_27
5324 NN1 NC6 NC5 ga_27
5325 NN1 NC2 NC3 ga_27
5326 NC2 NC3 NC4 ga_27
5327 NC2 NC3 NC7 ga_27
5328 NC4 NC3 NC7 ga_27
5329 NC3 NC4 NC5 ga_27
5330 NC6 NC5 NC4 ga_27
5331 NC3 NC7 NO7 ga_30
5332 NC3 NC7 NN7 ga_19
5333 NO7 NC7 NN7 ga_33
5334 NC7 NN7 NH71 ga_23
5335 NC7 NN7 NH72 ga_23
5336 NH71 NN7 NH72 ga_24
5337 NC1* NC2* NO2* ga_9
5338 NC1* NC2* NC3* ga_8
5339 NO2* NC2* NC3* ga_9
5340 NC2* NO2* NH2* ga_12
5341 NC4* NC3* NC2* ga_8
5342 NC4* NC3* NO3* ga_9
5343 NC2* NC3* NO3* ga_9
5344 NC3* NO3* NH3* ga_12
5345 [ impropers ]
5346 ; ai aj ak al gromos type
5347 AC1* AC4 AC8 AN9 gi_1
5348 AN9 AC4 AC5 AN7 gi_1
5349 AC4 AN9 AN3 AC5 gi_1
5350 AC4 AN9 AC8 AN7 gi_1
5351 AC4 AN3 AC2 AN1 gi_1
5352 AC4 AC5 AN7 AC8 gi_1
5353 AN3 AC4 AC5 AC6 gi_1
5354 AN3 AC2 AN1 AC6 gi_1
5355 AC2 AN1 AC6 AC5 gi_1
5356 AN1 AC6 AC5 AC4 gi_1
5357 AN6 AN1 AC5 AC6 gi_1
5358 AN6 AH61 AH62 AC6 gi_1
5359 AC5 AC4 AN3 AC2 gi_1
5360 AC5 AC6 AN7 AC4 gi_1
5361 AC5 AN7 AC8 AN9 gi_1
5362 AC8 AN9 AC4 AC5 gi_1
5363 AC2* AO4* AN9 AC1* gi_2
5364 AC2* AO2* AC3* AC1* gi_2
5365 AC3* AC5* AO4* AC4* gi_2
5366 AC3* AC2* AO3* AC4* gi_2
5367 NN1 NC6 NC2 NC1* gi_1
5368 NN1 NC6 NC5 NC4 gi_1
5369 NN1 NC2 NC3 NC4 gi_1
5370 NC6 NN1 NC2 NC3 gi_1
5371 NC2 NN1 NC6 NC5 gi_1
5372 NC2 NC3 NC4 NC5 gi_1
5373 NC3 NC4 NC5 NC6 gi_1
5374 NC7 NC2 NC4 NC3 gi_1
5375 NC7 NO7 NN7 NC3 gi_1
5376 NN7 NH71 NH72 NC7 gi_1
5377 NC2* NO4* NN1 NC1* gi_2
5378 NC2* NO2* NC3* NC1* gi_2
5379 NC3* NC5* NO4* NC4* gi_2
5380 NC3* NC2* NO3* NC4* gi_2
5381 [ dihedrals ]
5382 ; ai aj ak al gromos type
5383 O3P AP AO5* AC5* gd_19
5384 O3P AP AO5* AC5* gd_22
5385 AO5* AP O3P NP gd_19
5386 AO5* AP O3P NP gd_22
5387 AP AO5* AC5* AC4* gd_29
5388 AP O3P NP NO5* gd_19
5389 AP O3P NP NO5* gd_22
5390 O3P NP NO5* NC5* gd_19
5391 O3P NP NO5* NC5* gd_22
5392 NP NO5* NC5* NC4* gd_29
5393 AO5* AC5* AC4* AO4* gd_18
5394 AO5* AC5* AC4* AC3* gd_17
5395 AO5* AC5* AC4* AC3* gd_34
5396 AC3* AC4* AO4* AC1* gd_29
5397 AC5* AC4* AC3* AC2* gd_34
5398 AC5* AC4* AC3* AO3* gd_17
5399 AO4* AC4* AC3* AC2* gd_17
5400 AO4* AC4* AC3* AO3* gd_18
5401 AC4* AO4* AC1* AC2* gd_29
5402 AO4* AC1* AN9 AC4 gd_16
5403 AO4* AC1* AC2* AO2* gd_18
5404 AO4* AC1* AC2* AC3* gd_17
5405 AO4* AC1* AC2* AC3* gd_34
5406 AN9 AC1* AC2* AO2* gd_17
5407 AC5 AC6 AN6 AH61 gd_14
5408 AC1* AC2* AO2* AH2* gd_23
5409 AC1* AC2* AC3* AC4* gd_34
5410 AC1* AC2* AC3* AO3* gd_17
5411 AO2* AC2* AC3* AC4* gd_17
5412 AO2* AC2* AC3* AO3* gd_18
5413 AC4* AC3* AO3* AH3* gd_23
5414 NO5* NC5* NC4* NO4* gd_18
5415 NO5* NC5* NC4* NC3* gd_17
5416 NO5* NC5* NC4* NC3* gd_34
5417 NC3* NC4* NO4* NC1* gd_29
5418 NC5* NC4* NC3* NC2* gd_34
5419 NC5* NC4* NC3* NO3* gd_17
5420 NO4* NC4* NC3* NC2* gd_17
5421 NO4* NC4* NC3* NO3* gd_18
5422 NC4* NO4* NC1* NC2* gd_29
5423 NO4* NC1* NN1 NC2 gd_16
5424 NO4* NC1* NC2* NO2* gd_18
5425 NO4* NC1* NC2* NC3* gd_17
5426 NO4* NC1* NC2* NC3* gd_34
5427 NN1 NC1* NC2* NO2* gd_17
5428 NC2 NC3 NC7 NN7 gd_10
5429 NC3 NC7 NN7 NH71 gd_14
5430 NC1* NC2* NO2* NH2* gd_23
5431 NC1* NC2* NC3* NC4* gd_34
5432 NC1* NC2* NC3* NO3* gd_17
5433 NO2* NC2* NC3* NC4* gd_17
5434 NO2* NC2* NC3* NO3* gd_18
5435 NC4* NC3* NO3* NH3* gd_23
5437 [ NDPH ]
5438 [ atoms ]
5439 AP P 0.76000 0
5440 AO1P OM -0.63500 0
5441 AO2P OM -0.63500 0
5442 AO5* OA -0.36000 0
5443 O3P OA -0.26000 1
5444 NP P 0.76000 1
5445 NO1P OM -0.63500 1
5446 NO2P OM -0.63500 1
5447 NO5* OA -0.36000 1
5448 AC5* CH2 0.00000 2
5449 AC4* CH1 0.16000 3
5450 AO4* OA -0.36000 3
5451 AC1* CH1 0.20000 3
5452 AN9 NR -0.20000 4
5453 AC4 C 0.20000 4
5454 AN3 NR -0.36000 5
5455 AC2 CR1 0.36000 5
5456 AN1 NR -0.36000 6
5457 AC6 C 0.36000 6
5458 AN6 NT -0.83000 7
5459 AH61 H 0.41500 7
5460 AH62 H 0.41500 7
5461 AC5 C 0.00000 8
5462 AN7 NR -0.36000 8
5463 AC8 CR1 0.36000 8
5464 AC2* CH1 0.15000 9
5465 AO2* OA -0.36000 9
5466 AP2* P 0.63000 9
5467 AO6* OM -0.63500 9
5468 AO7* OM -0.63500 9
5469 AO8* OA -0.54800 9
5470 AH8* H 0.39800 9
5471 AC3* CH1 0.15000 10
5472 AO3* OA -0.54800 10
5473 AH3* H 0.39800 10
5474 NC5* CH2 0.00000 11
5475 NC4* CH1 0.16000 12
5476 NO4* OA -0.36000 12
5477 NC1* CH1 0.20000 12
5478 NN1 NR -0.20000 13
5479 NC6 CR1 0.20000 13
5480 NC2 CR1 0.00000 13
5481 NC3 C 0.00000 13
5482 NC4 CH2 0.00000 13
5483 NC5 CR1 0.00000 13
5484 NC7 C 0.38000 14
5485 NO7 O -0.38000 14
5486 NN7 NT -0.83000 15
5487 NH71 H 0.41500 15
5488 NH72 H 0.41500 15
5489 NC2* CH1 0.15000 16
5490 NO2* OA -0.54800 16
5491 NH2* H 0.39800 16
5492 NC3* CH1 0.15000 17
5493 NO3* OA -0.54800 17
5494 NH3* H 0.39800 17
5495 [ bonds ]
5496 AP AO1P gb_24
5497 AP AO2P gb_24
5498 AP AO5* gb_28
5499 AP O3P gb_28
5500 AO5* AC5* gb_20
5501 O3P NP gb_28
5502 NP NO1P gb_24
5503 NP NO2P gb_24
5504 NP NO5* gb_28
5505 NO5* NC5* gb_20
5506 AC5* AC4* gb_26
5507 AC4* AO4* gb_20
5508 AC4* AC3* gb_26
5509 AO4* AC1* gb_20
5510 AC1* AN9 gb_22
5511 AC1* AC2* gb_26
5512 AN9 AC4 gb_10
5513 AN9 AC8 gb_10
5514 AC4 AN3 gb_12
5515 AC4 AC5 gb_16
5516 AN3 AC2 gb_7
5517 AC2 AN1 gb_7
5518 AN1 AC6 gb_12
5519 AC6 AN6 gb_9
5520 AC6 AC5 gb_16
5521 AN6 AH61 gb_2
5522 AN6 AH62 gb_2
5523 AC5 AN7 gb_10
5524 AN7 AC8 gb_10
5525 AC2* AO2* gb_20
5526 AC2* AC3* gb_26
5527 AO2* AP2* gb_28
5528 AP2* AO6* gb_24
5529 AP2* AO7* gb_24
5530 AP2* AO8* gb_28
5531 AO8* AH8* gb_1
5532 AC3* AO3* gb_20
5533 AO3* AH3* gb_1
5534 NC5* NC4* gb_26
5535 NC4* NO4* gb_20
5536 NC4* NC3* gb_26
5537 NO4* NC1* gb_20
5538 NC1* NN1 gb_23
5539 NC1* NC2* gb_26
5540 NN1 NC6 gb_17
5541 NN1 NC2 gb_17
5542 NC6 NC5 gb_16
5543 NC2 NC3 gb_16
5544 NC3 NC4 gb_15
5545 NC3 NC7 gb_27
5546 NC4 NC5 gb_15
5547 NC7 NO7 gb_5
5548 NC7 NN7 gb_9
5549 NN7 NH71 gb_2
5550 NN7 NH72 gb_2
5551 NC2* NO2* gb_20
5552 NC2* NC3* gb_26
5553 NO2* NH2* gb_1
5554 NC3* NO3* gb_20
5555 NO3* NH3* gb_1
5556 [ exclusions ]
5557 ; ai aj
5558 AC1* AN3
5559 AC1* AC5
5560 AC1* AN7
5561 AN9 AC2
5562 AN9 AC6
5563 AC4 AN1
5564 AC4 AN6
5565 AN3 AC6
5566 AN3 AN7
5567 AN3 AC8
5568 AC2 AN6
5569 AC2 AC5
5570 AN1 AN7
5571 AC6 AC8
5572 AN6 AN7
5573 AO2* AH8*
5574 AO6* AH8*
5575 AO7* AH8*
5576 NC1* NC3
5577 NC1* NC5
5578 NN1 NC4
5579 NN1 NC7
5580 NC6 NC3
5581 NC2 NC5
5582 NC5 NC7
5583 [ angles ]
5584 ; ai aj ak gromos type
5585 AO1P AP AO2P ga_29
5586 AO1P AP AO5* ga_14
5587 AO1P AP O3P ga_14
5588 AO2P AP AO5* ga_14
5589 AO2P AP O3P ga_14
5590 AO5* AP O3P ga_5
5591 AP AO5* AC5* ga_26
5592 AP O3P NP ga_26
5593 O3P NP NO1P ga_14
5594 O3P NP NO2P ga_14
5595 O3P NP NO5* ga_5
5596 NO1P NP NO2P ga_29
5597 NO1P NP NO5* ga_14
5598 NO2P NP NO5* ga_14
5599 NP NO5* NC5* ga_26
5600 AO5* AC5* AC4* ga_9
5601 AC5* AC4* AO4* ga_9
5602 AC5* AC4* AC3* ga_8
5603 AO4* AC4* AC3* ga_9
5604 AC4* AO4* AC1* ga_10
5605 AO4* AC1* AN9 ga_9
5606 AO4* AC1* AC2* ga_9
5607 AN9 AC1* AC2* ga_9
5608 AC1* AN9 AC4 ga_37
5609 AC1* AN9 AC8 ga_37
5610 AC4 AN9 AC8 ga_7
5611 AN9 AC4 AN3 ga_39
5612 AN9 AC4 AC5 ga_7
5613 AN3 AC4 AC5 ga_27
5614 AC4 AN3 AC2 ga_27
5615 AN3 AC2 AN1 ga_27
5616 AC2 AN1 AC6 ga_27
5617 AN1 AC6 AN6 ga_27
5618 AN1 AC6 AC5 ga_27
5619 AN6 AC6 AC5 ga_27
5620 AC6 AN6 AH61 ga_23
5621 AC6 AN6 AH62 ga_23
5622 AH61 AN6 AH62 ga_24
5623 AC4 AC5 AC6 ga_27
5624 AC4 AC5 AN7 ga_7
5625 AC6 AC5 AN7 ga_39
5626 AC5 AN7 AC8 ga_7
5627 AN9 AC8 AN7 ga_7
5628 AC1* AC2* AO2* ga_9
5629 AC1* AC2* AC3* ga_8
5630 AO2* AC2* AC3* ga_9
5631 AC2* AO2* AP2* ga_26
5632 AO2* AP2* AO6* ga_14
5633 AO2* AP2* AO7* ga_14
5634 AO2* AP2* AO8* ga_5
5635 AO6* AP2* AO7* ga_29
5636 AO6* AP2* AO8* ga_14
5637 AO7* AP2* AO8* ga_14
5638 AP2* AO8* AH8* ga_12
5639 AC4* AC3* AC2* ga_8
5640 AC4* AC3* AO3* ga_9
5641 AC2* AC3* AO3* ga_9
5642 AC3* AO3* AH3* ga_12
5643 NO5* NC5* NC4* ga_9
5644 NC5* NC4* NO4* ga_9
5645 NC5* NC4* NC3* ga_8
5646 NO4* NC4* NC3* ga_9
5647 NC4* NO4* NC1* ga_10
5648 NO4* NC1* NN1 ga_9
5649 NO4* NC1* NC2* ga_9
5650 NN1 NC1* NC2* ga_8
5651 NC1* NN1 NC6 ga_27
5652 NC1* NN1 NC2 ga_27
5653 NC6 NN1 NC2 ga_27
5654 NN1 NC6 NC5 ga_27
5655 NN1 NC2 NC3 ga_27
5656 NC2 NC3 NC4 ga_27
5657 NC2 NC3 NC7 ga_27
5658 NC4 NC3 NC7 ga_27
5659 NC3 NC4 NC5 ga_27
5660 NC6 NC5 NC4 ga_27
5661 NC3 NC7 NO7 ga_30
5662 NC3 NC7 NN7 ga_19
5663 NO7 NC7 NN7 ga_33
5664 NC7 NN7 NH71 ga_23
5665 NC7 NN7 NH72 ga_23
5666 NH71 NN7 NH72 ga_24
5667 NC1* NC2* NO2* ga_9
5668 NC1* NC2* NC3* ga_8
5669 NO2* NC2* NC3* ga_9
5670 NC2* NO2* NH2* ga_12
5671 NC4* NC3* NC2* ga_8
5672 NC4* NC3* NO3* ga_9
5673 NC2* NC3* NO3* ga_9
5674 NC3* NO3* NH3* ga_12
5675 [ impropers ]
5676 ; ai aj ak al gromos type
5677 AC1* AC4 AC8 AN9 gi_1
5678 AN9 AC4 AC5 AN7 gi_1
5679 AC4 AN9 AN3 AC5 gi_1
5680 AC4 AN9 AC8 AN7 gi_1
5681 AC4 AN3 AC2 AN1 gi_1
5682 AC4 AC5 AN7 AC8 gi_1
5683 AN3 AC4 AC5 AC6 gi_1
5684 AN3 AC2 AN1 AC6 gi_1
5685 AC2 AN1 AC6 AC5 gi_1
5686 AN1 AC6 AC5 AC4 gi_1
5687 AN6 AN1 AC5 AC6 gi_1
5688 AN6 AH61 AH62 AC6 gi_1
5689 AC5 AC4 AN3 AC2 gi_1
5690 AC5 AC6 AN7 AC4 gi_1
5691 AC5 AN7 AC8 AN9 gi_1
5692 AC8 AN9 AC4 AC5 gi_1
5693 AC2* AO4* AN9 AC1* gi_2
5694 AC2* AO2* AC3* AC1* gi_2
5695 AC3* AC5* AO4* AC4* gi_2
5696 AC3* AC2* AO3* AC4* gi_2
5697 NN1 NC6 NC2 NC1* gi_1
5698 NN1 NC6 NC5 NC4 gi_1
5699 NN1 NC2 NC3 NC4 gi_1
5700 NC6 NN1 NC2 NC3 gi_1
5701 NC2 NN1 NC6 NC5 gi_1
5702 NC2 NC3 NC4 NC5 gi_1
5703 NC3 NC4 NC5 NC6 gi_1
5704 NC7 NC2 NC4 NC3 gi_1
5705 NC7 NO7 NN7 NC3 gi_1
5706 NN7 NH71 NH72 NC7 gi_1
5707 NC2* NO4* NN1 NC1* gi_2
5708 NC2* NO2* NC3* NC1* gi_2
5709 NC3* NC5* NO4* NC4* gi_2
5710 NC3* NC2* NO3* NC4* gi_2
5711 [ dihedrals ]
5712 ; ai aj ak al gromos type
5713 O3P AP AO5* AC5* gd_19
5714 O3P AP AO5* AC5* gd_22
5715 AO5* AP O3P NP gd_19
5716 AO5* AP O3P NP gd_22
5717 AP AO5* AC5* AC4* gd_29
5718 AP O3P NP NO5* gd_19
5719 AP O3P NP NO5* gd_22
5720 O3P NP NO5* NC5* gd_19
5721 O3P NP NO5* NC5* gd_22
5722 NP NO5* NC5* NC4* gd_29
5723 AO5* AC5* AC4* AO4* gd_18
5724 AO5* AC5* AC4* AC3* gd_17
5725 AO5* AC5* AC4* AC3* gd_34
5726 AC3* AC4* AO4* AC1* gd_29
5727 AC5* AC4* AC3* AC2* gd_34
5728 AC5* AC4* AC3* AO3* gd_17
5729 AO4* AC4* AC3* AC2* gd_17
5730 AO4* AC4* AC3* AO3* gd_18
5731 AC4* AO4* AC1* AC2* gd_29
5732 AO4* AC1* AN9 AC4 gd_16
5733 AO4* AC1* AC2* AO2* gd_18
5734 AO4* AC1* AC2* AC3* gd_17
5735 AO4* AC1* AC2* AC3* gd_34
5736 AN9 AC1* AC2* AO2* gd_17
5737 AC5 AC6 AN6 AH61 gd_14
5738 AC1* AC2* AO2* AP2* gd_23
5739 AC1* AC2* AC3* AC4* gd_34
5740 AC1* AC2* AC3* AO3* gd_17
5741 AO2* AC2* AC3* AC4* gd_17
5742 AO2* AC2* AC3* AO3* gd_18
5743 AC2* AO2* AP2* AO8* gd_19
5744 AC2* AO2* AP2* AO8* gd_22
5745 AO2* AP2* AO8* AH8* gd_19
5746 AO2* AP2* AO8* AH8* gd_22
5747 AC4* AC3* AO3* AH3* gd_23
5748 NO5* NC5* NC4* NO4* gd_18
5749 NO5* NC5* NC4* NC3* gd_17
5750 NO5* NC5* NC4* NC3* gd_34
5751 NC3* NC4* NO4* NC1* gd_29
5752 NC5* NC4* NC3* NC2* gd_34
5753 NC5* NC4* NC3* NO3* gd_17
5754 NO4* NC4* NC3* NC2* gd_17
5755 NO4* NC4* NC3* NO3* gd_18
5756 NC4* NO4* NC1* NC2* gd_29
5757 NO4* NC1* NN1 NC2 gd_16
5758 NO4* NC1* NC2* NO2* gd_18
5759 NO4* NC1* NC2* NC3* gd_17
5760 NO4* NC1* NC2* NC3* gd_34
5761 NN1 NC1* NC2* NO2* gd_17
5762 NC2 NC3 NC7 NN7 gd_10
5763 NC3 NC7 NN7 NH71 gd_14
5764 NC1* NC2* NO2* NH2* gd_23
5765 NC1* NC2* NC3* NC4* gd_34
5766 NC1* NC2* NC3* NO3* gd_17
5767 NO2* NC2* NC3* NC4* gd_17
5768 NO2* NC2* NC3* NO3* gd_18
5769 NC4* NC3* NO3* NH3* gd_23
5771 [ NDPP ]
5772 [ atoms ]
5773 AP P 0.76000 0
5774 AO1P OM -0.63500 0
5775 AO2P OM -0.63500 0
5776 AO5* OA -0.36000 0
5777 O3P OA -0.26000 1
5778 NP P 0.76000 1
5779 NO1P OM -0.63500 1
5780 NO2P OM -0.63500 1
5781 NO5* OA -0.36000 1
5782 AC5* CH2 0.00000 2
5783 AC4* CH1 0.16000 3
5784 AO4* OA -0.36000 3
5785 AC1* CH1 0.20000 3
5786 AN9 NR -0.20000 4
5787 AC4 C 0.20000 4
5788 AN3 NR -0.36000 5
5789 AC2 CR1 0.36000 5
5790 AN1 NR -0.36000 6
5791 AC6 C 0.36000 6
5792 AN6 NT -0.83000 7
5793 AH61 H 0.41500 7
5794 AH62 H 0.41500 7
5795 AC5 C 0.00000 8
5796 AN7 NR -0.36000 8
5797 AC8 CR1 0.36000 8
5798 AC2* CH1 0.15000 9
5799 AO2* OA -0.36000 9
5800 AP2* P 0.63000 9
5801 AO6* OM -0.63500 9
5802 AO7* OM -0.63500 9
5803 AO8* OA -0.54800 9
5804 AH8* H 0.39800 9
5805 AC3* CH1 0.15000 10
5806 AO3* OA -0.54800 10
5807 AH3* H 0.39800 10
5808 NC5* CH2 0.00000 11
5809 NC4* CH1 0.16000 12
5810 NO4* OA -0.36000 12
5811 NC1* CH1 0.20000 12
5812 NN1 NR 0.10000 13
5813 NC6 CR1 0.30000 13
5814 NC2 CR1 0.25000 13
5815 NC3 C 0.00000 13
5816 NC4 CR1 0.25000 13
5817 NC5 CR1 0.10000 13
5818 NC7 C 0.38000 14
5819 NO7 O -0.38000 14
5820 NN7 NT -0.83000 15
5821 NH71 H 0.41500 15
5822 NH72 H 0.41500 15
5823 NC2* CH1 0.15000 16
5824 NO2* OA -0.54800 16
5825 NH2* H 0.39800 16
5826 NC3* CH1 0.15000 17
5827 NO3* OA -0.54800 17
5828 NH3* H 0.39800 17
5829 [ bonds ]
5830 AP AO1P gb_24
5831 AP AO2P gb_24
5832 AP AO5* gb_28
5833 AP O3P gb_28
5834 AO5* AC5* gb_20
5835 O3P NP gb_28
5836 NP NO1P gb_24
5837 NP NO2P gb_24
5838 NP NO5* gb_28
5839 NO5* NC5* gb_20
5840 AC5* AC4* gb_26
5841 AC4* AO4* gb_20
5842 AC4* AC3* gb_26
5843 AO4* AC1* gb_20
5844 AC1* AN9 gb_22
5845 AC1* AC2* gb_26
5846 AN9 AC4 gb_10
5847 AN9 AC8 gb_10
5848 AC4 AN3 gb_12
5849 AC4 AC5 gb_16
5850 AN3 AC2 gb_7
5851 AC2 AN1 gb_7
5852 AN1 AC6 gb_12
5853 AC6 AN6 gb_9
5854 AC6 AC5 gb_16
5855 AN6 AH61 gb_2
5856 AN6 AH62 gb_2
5857 AC5 AN7 gb_10
5858 AN7 AC8 gb_10
5859 AC2* AO2* gb_20
5860 AC2* AC3* gb_26
5861 AO2* AP2* gb_28
5862 AP2* AO6* gb_24
5863 AP2* AO7* gb_24
5864 AP2* AO8* gb_28
5865 AO8* AH8* gb_1
5866 AC3* AO3* gb_20
5867 AO3* AH3* gb_1
5868 NC5* NC4* gb_26
5869 NC4* NO4* gb_20
5870 NC4* NC3* gb_26
5871 NO4* NC1* gb_20
5872 NC1* NN1 gb_23
5873 NC1* NC2* gb_26
5874 NN1 NC6 gb_17
5875 NN1 NC2 gb_17
5876 NC6 NC5 gb_16
5877 NC2 NC3 gb_16
5878 NC3 NC4 gb_16
5879 NC3 NC7 gb_27
5880 NC4 NC5 gb_16
5881 NC7 NO7 gb_5
5882 NC7 NN7 gb_9
5883 NN7 NH71 gb_2
5884 NN7 NH72 gb_2
5885 NC2* NO2* gb_20
5886 NC2* NC3* gb_26
5887 NO2* NH2* gb_1
5888 NC3* NO3* gb_20
5889 NO3* NH3* gb_1
5890 [ exclusions ]
5891 ; ai aj
5892 AC1* AN3
5893 AC1* AC5
5894 AC1* AN7
5895 AN9 AC2
5896 AN9 AC6
5897 AC4 AN1
5898 AC4 AN6
5899 AN3 AC6
5900 AN3 AN7
5901 AN3 AC8
5902 AC2 AN6
5903 AC2 AC5
5904 AN1 AN7
5905 AC6 AC8
5906 AN6 AN7
5907 AO2* AH8*
5908 AO6* AH8*
5909 AO7* AH8*
5910 NC1* NC3
5911 NC1* NC5
5912 NN1 NC4
5913 NN1 NC7
5914 NC6 NC3
5915 NC2 NC5
5916 NC5 NC7
5917 [ angles ]
5918 ; ai aj ak gromos type
5919 AO1P AP AO2P ga_29
5920 AO1P AP AO5* ga_14
5921 AO1P AP O3P ga_14
5922 AO2P AP AO5* ga_14
5923 AO2P AP O3P ga_14
5924 AO5* AP O3P ga_5
5925 AP AO5* AC5* ga_26
5926 AP O3P NP ga_26
5927 O3P NP NO1P ga_14
5928 O3P NP NO2P ga_14
5929 O3P NP NO5* ga_5
5930 NO1P NP NO2P ga_29
5931 NO1P NP NO5* ga_14
5932 NO2P NP NO5* ga_14
5933 NP NO5* NC5* ga_26
5934 AO5* AC5* AC4* ga_9
5935 AC5* AC4* AO4* ga_9
5936 AC5* AC4* AC3* ga_8
5937 AO4* AC4* AC3* ga_9
5938 AC4* AO4* AC1* ga_10
5939 AO4* AC1* AN9 ga_9
5940 AO4* AC1* AC2* ga_9
5941 AN9 AC1* AC2* ga_9
5942 AC1* AN9 AC4 ga_37
5943 AC1* AN9 AC8 ga_37
5944 AC4 AN9 AC8 ga_7
5945 AN9 AC4 AN3 ga_39
5946 AN9 AC4 AC5 ga_7
5947 AN3 AC4 AC5 ga_27
5948 AC4 AN3 AC2 ga_27
5949 AN3 AC2 AN1 ga_27
5950 AC2 AN1 AC6 ga_27
5951 AN1 AC6 AN6 ga_27
5952 AN1 AC6 AC5 ga_27
5953 AN6 AC6 AC5 ga_27
5954 AC6 AN6 AH61 ga_23
5955 AC6 AN6 AH62 ga_23
5956 AH61 AN6 AH62 ga_24
5957 AC4 AC5 AC6 ga_27
5958 AC4 AC5 AN7 ga_7
5959 AC6 AC5 AN7 ga_39
5960 AC5 AN7 AC8 ga_7
5961 AN9 AC8 AN7 ga_7
5962 AC1* AC2* AO2* ga_9
5963 AC1* AC2* AC3* ga_8
5964 AO2* AC2* AC3* ga_9
5965 AC2* AO2* AP2* ga_26
5966 AO2* AP2* AO6* ga_14
5967 AO2* AP2* AO7* ga_14
5968 AO2* AP2* AO8* ga_5
5969 AO6* AP2* AO7* ga_29
5970 AO6* AP2* AO8* ga_14
5971 AO7* AP2* AO8* ga_14
5972 AP2* AO8* AH8* ga_12
5973 AC4* AC3* AC2* ga_8
5974 AC4* AC3* AO3* ga_9
5975 AC2* AC3* AO3* ga_9
5976 AC3* AO3* AH3* ga_12
5977 NO5* NC5* NC4* ga_9
5978 NC5* NC4* NO4* ga_9
5979 NC5* NC4* NC3* ga_8
5980 NO4* NC4* NC3* ga_9
5981 NC4* NO4* NC1* ga_10
5982 NO4* NC1* NN1 ga_9
5983 NO4* NC1* NC2* ga_9
5984 NN1 NC1* NC2* ga_8
5985 NC1* NN1 NC6 ga_27
5986 NC1* NN1 NC2 ga_27
5987 NC6 NN1 NC2 ga_27
5988 NN1 NC6 NC5 ga_27
5989 NN1 NC2 NC3 ga_27
5990 NC2 NC3 NC4 ga_27
5991 NC2 NC3 NC7 ga_27
5992 NC4 NC3 NC7 ga_27
5993 NC3 NC4 NC5 ga_27
5994 NC6 NC5 NC4 ga_27
5995 NC3 NC7 NO7 ga_30
5996 NC3 NC7 NN7 ga_19
5997 NO7 NC7 NN7 ga_33
5998 NC7 NN7 NH71 ga_23
5999 NC7 NN7 NH72 ga_23
6000 NH71 NN7 NH72 ga_24
6001 NC1* NC2* NO2* ga_9
6002 NC1* NC2* NC3* ga_8
6003 NO2* NC2* NC3* ga_9
6004 NC2* NO2* NH2* ga_12
6005 NC4* NC3* NC2* ga_8
6006 NC4* NC3* NO3* ga_9
6007 NC2* NC3* NO3* ga_9
6008 NC3* NO3* NH3* ga_12
6009 [ impropers ]
6010 ; ai aj ak al gromos type
6011 AC1* AC4 AC8 AN9 gi_1
6012 AN9 AC4 AC5 AN7 gi_1
6013 AC4 AN9 AN3 AC5 gi_1
6014 AC4 AN9 AC8 AN7 gi_1
6015 AC4 AN3 AC2 AN1 gi_1
6016 AC4 AC5 AN7 AC8 gi_1
6017 AN3 AC4 AC5 AC6 gi_1
6018 AN3 AC2 AN1 AC6 gi_1
6019 AC2 AN1 AC6 AC5 gi_1
6020 AN1 AC6 AC5 AC4 gi_1
6021 AN6 AN1 AC5 AC6 gi_1
6022 AN6 AH61 AH62 AC6 gi_1
6023 AC5 AC4 AN3 AC2 gi_1
6024 AC5 AC6 AN7 AC4 gi_1
6025 AC5 AN7 AC8 AN9 gi_1
6026 AC8 AN9 AC4 AC5 gi_1
6027 AC2* AO4* AN9 AC1* gi_2
6028 AC2* AO2* AC3* AC1* gi_2
6029 AC3* AC5* AO4* AC4* gi_2
6030 AC3* AC2* AO3* AC4* gi_2
6031 NN1 NC6 NC2 NC1* gi_1
6032 NN1 NC6 NC5 NC4 gi_1
6033 NN1 NC2 NC3 NC4 gi_1
6034 NC6 NN1 NC2 NC3 gi_1
6035 NC2 NN1 NC6 NC5 gi_1
6036 NC2 NC3 NC4 NC5 gi_1
6037 NC3 NC4 NC5 NC6 gi_1
6038 NC7 NC2 NC4 NC3 gi_1
6039 NC7 NO7 NN7 NC3 gi_1
6040 NN7 NH71 NH72 NC7 gi_1
6041 NC2* NO4* NN1 NC1* gi_2
6042 NC2* NO2* NC3* NC1* gi_2
6043 NC3* NC5* NO4* NC4* gi_2
6044 NC3* NC2* NO3* NC4* gi_2
6045 [ dihedrals ]
6046 ; ai aj ak al gromos type
6047 O3P AP AO5* AC5* gd_19
6048 O3P AP AO5* AC5* gd_22
6049 AO5* AP O3P NP gd_19
6050 AO5* AP O3P NP gd_22
6051 AP AO5* AC5* AC4* gd_29
6052 AP O3P NP NO5* gd_19
6053 AP O3P NP NO5* gd_22
6054 O3P NP NO5* NC5* gd_19
6055 O3P NP NO5* NC5* gd_22
6056 NP NO5* NC5* NC4* gd_29
6057 AO5* AC5* AC4* AO4* gd_18
6058 AO5* AC5* AC4* AC3* gd_17
6059 AO5* AC5* AC4* AC3* gd_34
6060 AC3* AC4* AO4* AC1* gd_29
6061 AC5* AC4* AC3* AC2* gd_34
6062 AC5* AC4* AC3* AO3* gd_17
6063 AO4* AC4* AC3* AC2* gd_17
6064 AO4* AC4* AC3* AO3* gd_18
6065 AC4* AO4* AC1* AC2* gd_29
6066 AO4* AC1* AN9 AC4 gd_16
6067 AO4* AC1* AC2* AO2* gd_18
6068 AO4* AC1* AC2* AC3* gd_17
6069 AO4* AC1* AC2* AC3* gd_34
6070 AN9 AC1* AC2* AO2* gd_17
6071 AC5 AC6 AN6 AH61 gd_14
6072 AC1* AC2* AO2* AP2* gd_23
6073 AC1* AC2* AC3* AC4* gd_34
6074 AC1* AC2* AC3* AO3* gd_17
6075 AO2* AC2* AC3* AC4* gd_17
6076 AO2* AC2* AC3* AO3* gd_18
6077 AC2* AO2* AP2* AO8* gd_19
6078 AC2* AO2* AP2* AO8* gd_22
6079 AO2* AP2* AO8* AH8* gd_19
6080 AO2* AP2* AO8* AH8* gd_22
6081 AC4* AC3* AO3* AH3* gd_23
6082 NO5* NC5* NC4* NO4* gd_18
6083 NO5* NC5* NC4* NC3* gd_17
6084 NO5* NC5* NC4* NC3* gd_34
6085 NC3* NC4* NO4* NC1* gd_29
6086 NC5* NC4* NC3* NC2* gd_34
6087 NC5* NC4* NC3* NO3* gd_17
6088 NO4* NC4* NC3* NC2* gd_17
6089 NO4* NC4* NC3* NO3* gd_18
6090 NC4* NO4* NC1* NC2* gd_29
6091 NO4* NC1* NN1 NC2 gd_16
6092 NO4* NC1* NC2* NO2* gd_18
6093 NO4* NC1* NC2* NC3* gd_17
6094 NO4* NC1* NC2* NC3* gd_34
6095 NN1 NC1* NC2* NO2* gd_17
6096 NC2 NC3 NC7 NN7 gd_10
6097 NC3 NC7 NN7 NH71 gd_14
6098 NC1* NC2* NO2* NH2* gd_23
6099 NC1* NC2* NC3* NC4* gd_34
6100 NC1* NC2* NC3* NO3* gd_17
6101 NO2* NC2* NC3* NC4* gd_17
6102 NO2* NC2* NC3* NO3* gd_18
6103 NC4* NC3* NO3* NH3* gd_23
6105 [ NDPHN ]
6106 [ atoms ]
6107 AP P 1.02000 0
6108 AO1P OA -0.54800 0
6109 AH1P H 0.39800 0
6110 AO2P O -0.38000 0
6111 AO5* OA -0.36000 0
6112 O3P OA -0.26000 1
6113 NP P 1.02000 1
6114 NO1P OA -0.54800 1
6115 NH1P H 0.39800 1
6116 NO2P O -0.38000 1
6117 NO5* OA -0.36000 1
6118 AC5* CH2 0.00000 2
6119 AC4* CH1 0.16000 3
6120 AO4* OA -0.36000 3
6121 AC1* CH1 0.20000 3
6122 AN9 NR -0.20000 4
6123 AC4 C 0.20000 4
6124 AN3 NR -0.36000 5
6125 AC2 CR1 0.36000 5
6126 AN1 NR -0.36000 6
6127 AC6 C 0.36000 6
6128 AN6 NT -0.83000 7
6129 AH61 H 0.41500 7
6130 AH62 H 0.41500 7
6131 AC5 C 0.00000 8
6132 AN7 NR -0.36000 8
6133 AC8 CR1 0.36000 8
6134 AC2* CH1 0.15000 9
6135 AO2* OA -0.36000 9
6136 AP2* P 0.89000 9
6137 AO6* O -0.38000 9
6138 AO7* OA -0.54800 9
6139 AH7* H 0.39800 9
6140 AO8* OA -0.54800 9
6141 AH8* H 0.39800 9
6142 AC3* CH1 0.15000 10
6143 AO3* OA -0.54800 10
6144 AH3* H 0.39800 10
6145 NC5* CH2 0.00000 11
6146 NC4* CH1 0.16000 12
6147 NO4* OA -0.36000 12
6148 NC1* CH1 0.20000 12
6149 NN1 NR -0.20000 13
6150 NC6 CR1 0.20000 13
6151 NC2 CR1 0.00000 13
6152 NC3 C 0.00000 13
6153 NC4 CH2 0.00000 13
6154 NC5 CR1 0.00000 13
6155 NC7 C 0.38000 14
6156 NO7 O -0.38000 14
6157 NN7 NT -0.83000 15
6158 NH71 H 0.41500 15
6159 NH72 H 0.41500 15
6160 NC2* CH1 0.15000 16
6161 NO2* OA -0.54800 16
6162 NH2* H 0.39800 16
6163 NC3* CH1 0.15000 17
6164 NO3* OA -0.54800 17
6165 NH3* H 0.39800 17
6166 [ bonds ]
6167 AP AO1P gb_28
6168 AP AO2P gb_24
6169 AP AO5* gb_28
6170 AP O3P gb_28
6171 AO1P AH1P gb_1
6172 AO5* AC5* gb_20
6173 O3P NP gb_28
6174 NP NO1P gb_28
6175 NP NO2P gb_24
6176 NP NO5* gb_28
6177 NO1P NH1P gb_1
6178 NO5* NC5* gb_20
6179 AC5* AC4* gb_26
6180 AC4* AO4* gb_20
6181 AC4* AC3* gb_26
6182 AO4* AC1* gb_20
6183 AC1* AN9 gb_22
6184 AC1* AC2* gb_26
6185 AN9 AC4 gb_10
6186 AN9 AC8 gb_10
6187 AC4 AN3 gb_12
6188 AC4 AC5 gb_16
6189 AN3 AC2 gb_7
6190 AC2 AN1 gb_7
6191 AN1 AC6 gb_12
6192 AC6 AN6 gb_9
6193 AC6 AC5 gb_16
6194 AN6 AH61 gb_2
6195 AN6 AH62 gb_2
6196 AC5 AN7 gb_10
6197 AN7 AC8 gb_10
6198 AC2* AO2* gb_20
6199 AC2* AC3* gb_26
6200 AO2* AP2* gb_28
6201 AP2* AO6* gb_24
6202 AP2* AO7* gb_28
6203 AP2* AO8* gb_28
6204 AO7* AH7* gb_1
6205 AO8* AH8* gb_1
6206 AC3* AO3* gb_20
6207 AO3* AH3* gb_1
6208 NC5* NC4* gb_26
6209 NC4* NO4* gb_20
6210 NC4* NC3* gb_26
6211 NO4* NC1* gb_20
6212 NC1* NN1 gb_23
6213 NC1* NC2* gb_26
6214 NN1 NC6 gb_17
6215 NN1 NC2 gb_17
6216 NC6 NC5 gb_16
6217 NC2 NC3 gb_16
6218 NC3 NC4 gb_15
6219 NC3 NC7 gb_27
6220 NC4 NC5 gb_15
6221 NC7 NO7 gb_5
6222 NC7 NN7 gb_9
6223 NN7 NH71 gb_2
6224 NN7 NH72 gb_2
6225 NC2* NO2* gb_20
6226 NC2* NC3* gb_26
6227 NO2* NH2* gb_1
6228 NC3* NO3* gb_20
6229 NO3* NH3* gb_1
6230 [ exclusions ]
6231 ; ai aj
6232 AH1P AO2P
6233 AH1P AO5*
6234 AH1P O3P
6235 O3P NH1P
6236 NH1P NO2P
6237 NH1P NO5*
6238 AC1* AN3
6239 AC1* AC5
6240 AC1* AN7
6241 AN9 AC2
6242 AN9 AC6
6243 AC4 AN1
6244 AC4 AN6
6245 AN3 AC6
6246 AN3 AN7
6247 AN3 AC8
6248 AC2 AN6
6249 AC2 AC5
6250 AN1 AN7
6251 AC6 AC8
6252 AN6 AN7
6253 AO2* AH7*
6254 AO2* AH8*
6255 AO6* AH7*
6256 AO6* AH8*
6257 AO7* AH8*
6258 AH7* AO8*
6259 AH7* AH8*
6260 NC1* NC3
6261 NC1* NC5
6262 NN1 NC4
6263 NN1 NC7
6264 NC6 NC3
6265 NC2 NC5
6266 NC5 NC7
6267 [ angles ]
6268 ; ai aj ak gromos type
6269 AO1P AP AO2P ga_14
6270 AO1P AP AO5* ga_14
6271 AO1P AP O3P ga_14
6272 AO2P AP AO5* ga_14
6273 AO2P AP O3P ga_14
6274 AO5* AP O3P ga_14
6275 AP AO1P AH1P ga_12
6276 AP AO5* AC5* ga_26
6277 AP O3P NP ga_26
6278 O3P NP NO1P ga_14
6279 O3P NP NO2P ga_14
6280 O3P NP NO5* ga_14
6281 NO1P NP NO2P ga_14
6282 NO1P NP NO5* ga_14
6283 NO2P NP NO5* ga_14
6284 NP NO1P NH1P ga_12
6285 NP NO5* NC5* ga_26
6286 AO5* AC5* AC4* ga_9
6287 AC5* AC4* AO4* ga_9
6288 AC5* AC4* AC3* ga_8
6289 AO4* AC4* AC3* ga_9
6290 AC4* AO4* AC1* ga_10
6291 AO4* AC1* AN9 ga_9
6292 AO4* AC1* AC2* ga_9
6293 AN9 AC1* AC2* ga_9
6294 AC1* AN9 AC4 ga_37
6295 AC1* AN9 AC8 ga_37
6296 AC4 AN9 AC8 ga_7
6297 AN9 AC4 AN3 ga_39
6298 AN9 AC4 AC5 ga_7
6299 AN3 AC4 AC5 ga_27
6300 AC4 AN3 AC2 ga_27
6301 AN3 AC2 AN1 ga_27
6302 AC2 AN1 AC6 ga_27
6303 AN1 AC6 AN6 ga_27
6304 AN1 AC6 AC5 ga_27
6305 AN6 AC6 AC5 ga_27
6306 AC6 AN6 AH61 ga_23
6307 AC6 AN6 AH62 ga_23
6308 AH61 AN6 AH62 ga_24
6309 AC4 AC5 AC6 ga_27
6310 AC4 AC5 AN7 ga_7
6311 AC6 AC5 AN7 ga_39
6312 AC5 AN7 AC8 ga_7
6313 AN9 AC8 AN7 ga_7
6314 AC1* AC2* AO2* ga_9
6315 AC1* AC2* AC3* ga_8
6316 AO2* AC2* AC3* ga_9
6317 AC2* AO2* AP2* ga_26
6318 AO2* AP2* AO6* ga_14
6319 AO2* AP2* AO7* ga_14
6320 AO2* AP2* AO8* ga_14
6321 AO6* AP2* AO7* ga_14
6322 AO6* AP2* AO8* ga_14
6323 AO7* AP2* AO8* ga_14
6324 AP2* AO7* AH7* ga_12
6325 AP2* AO8* AH8* ga_12
6326 AC4* AC3* AC2* ga_8
6327 AC4* AC3* AO3* ga_9
6328 AC2* AC3* AO3* ga_9
6329 AC3* AO3* AH3* ga_12
6330 NO5* NC5* NC4* ga_9
6331 NC5* NC4* NO4* ga_9
6332 NC5* NC4* NC3* ga_8
6333 NO4* NC4* NC3* ga_9
6334 NC4* NO4* NC1* ga_10
6335 NO4* NC1* NN1 ga_9
6336 NO4* NC1* NC2* ga_9
6337 NN1 NC1* NC2* ga_8
6338 NC1* NN1 NC6 ga_27
6339 NC1* NN1 NC2 ga_27
6340 NC6 NN1 NC2 ga_27
6341 NN1 NC6 NC5 ga_27
6342 NN1 NC2 NC3 ga_27
6343 NC2 NC3 NC4 ga_27
6344 NC2 NC3 NC7 ga_27
6345 NC4 NC3 NC7 ga_27
6346 NC3 NC4 NC5 ga_27
6347 NC6 NC5 NC4 ga_27
6348 NC3 NC7 NO7 ga_30
6349 NC3 NC7 NN7 ga_19
6350 NO7 NC7 NN7 ga_33
6351 NC7 NN7 NH71 ga_23
6352 NC7 NN7 NH72 ga_23
6353 NH71 NN7 NH72 ga_24
6354 NC1* NC2* NO2* ga_9
6355 NC1* NC2* NC3* ga_8
6356 NO2* NC2* NC3* ga_9
6357 NC2* NO2* NH2* ga_12
6358 NC4* NC3* NC2* ga_8
6359 NC4* NC3* NO3* ga_9
6360 NC2* NC3* NO3* ga_9
6361 NC3* NO3* NH3* ga_12
6362 [ impropers ]
6363 ; ai aj ak al gromos type
6364 AC1* AC4 AC8 AN9 gi_1
6365 AN9 AC4 AC5 AN7 gi_1
6366 AC4 AN9 AN3 AC5 gi_1
6367 AC4 AN9 AC8 AN7 gi_1
6368 AC4 AN3 AC2 AN1 gi_1
6369 AC4 AC5 AN7 AC8 gi_1
6370 AN3 AC4 AC5 AC6 gi_1
6371 AN3 AC2 AN1 AC6 gi_1
6372 AC2 AN1 AC6 AC5 gi_1
6373 AN1 AC6 AC5 AC4 gi_1
6374 AN6 AN1 AC5 AC6 gi_1
6375 AN6 AH61 AH62 AC6 gi_1
6376 AC5 AC4 AN3 AC2 gi_1
6377 AC5 AC6 AN7 AC4 gi_1
6378 AC5 AN7 AC8 AN9 gi_1
6379 AC8 AN9 AC4 AC5 gi_1
6380 AC2* AO4* AN9 AC1* gi_2
6381 AC2* AO2* AC3* AC1* gi_2
6382 AC3* AC5* AO4* AC4* gi_2
6383 AC3* AC2* AO3* AC4* gi_2
6384 NN1 NC6 NC2 NC1* gi_1
6385 NN1 NC6 NC5 NC4 gi_1
6386 NN1 NC2 NC3 NC4 gi_1
6387 NC6 NN1 NC2 NC3 gi_1
6388 NC2 NN1 NC6 NC5 gi_1
6389 NC2 NC3 NC4 NC5 gi_1
6390 NC3 NC4 NC5 NC6 gi_1
6391 NC7 NC2 NC4 NC3 gi_1
6392 NC7 NO7 NN7 NC3 gi_1
6393 NN7 NH71 NH72 NC7 gi_1
6394 NC2* NO4* NN1 NC1* gi_2
6395 NC2* NO2* NC3* NC1* gi_2
6396 NC3* NC5* NO4* NC4* gi_2
6397 NC3* NC2* NO3* NC4* gi_2
6398 [ dihedrals ]
6399 ; ai aj ak al gromos type
6400 AO5* AP AO1P AH1P gd_19
6401 AO5* AP AO1P AH1P gd_22
6402 O3P AP AO5* AC5* gd_19
6403 O3P AP AO5* AC5* gd_22
6404 AO5* AP O3P NP gd_19
6405 AO5* AP O3P NP gd_22
6406 AP AO5* AC5* AC4* gd_29
6407 AP O3P NP NO5* gd_19
6408 AP O3P NP NO5* gd_22
6409 NO5* NP NO1P NH1P gd_19
6410 NO5* NP NO1P NH1P gd_22
6411 O3P NP NO5* NC5* gd_19
6412 O3P NP NO5* NC5* gd_22
6413 NP NO5* NC5* NC4* gd_29
6414 AO5* AC5* AC4* AO4* gd_18
6415 AO5* AC5* AC4* AC3* gd_17
6416 AO5* AC5* AC4* AC3* gd_34
6417 AC3* AC4* AO4* AC1* gd_29
6418 AC5* AC4* AC3* AC2* gd_34
6419 AC5* AC4* AC3* AO3* gd_17
6420 AO4* AC4* AC3* AC2* gd_17
6421 AO4* AC4* AC3* AO3* gd_18
6422 AC4* AO4* AC1* AC2* gd_29
6423 AO4* AC1* AN9 AC4 gd_16
6424 AO4* AC1* AC2* AO2* gd_18
6425 AO4* AC1* AC2* AC3* gd_17
6426 AO4* AC1* AC2* AC3* gd_34
6427 AN9 AC1* AC2* AO2* gd_17
6428 AC5 AC6 AN6 AH61 gd_14
6429 AC1* AC2* AO2* AP2* gd_23
6430 AC1* AC2* AC3* AC4* gd_34
6431 AC1* AC2* AC3* AO3* gd_17
6432 AO2* AC2* AC3* AC4* gd_17
6433 AO2* AC2* AC3* AO3* gd_18
6434 AC2* AO2* AP2* AO8* gd_19
6435 AC2* AO2* AP2* AO8* gd_22
6436 AO2* AP2* AO7* AH7* gd_19
6437 AO2* AP2* AO7* AH7* gd_22
6438 AO2* AP2* AO8* AH8* gd_19
6439 AO2* AP2* AO8* AH8* gd_22
6440 AC4* AC3* AO3* AH3* gd_23
6441 NO5* NC5* NC4* NO4* gd_18
6442 NO5* NC5* NC4* NC3* gd_17
6443 NO5* NC5* NC4* NC3* gd_34
6444 NC3* NC4* NO4* NC1* gd_29
6445 NC5* NC4* NC3* NC2* gd_34
6446 NC5* NC4* NC3* NO3* gd_17
6447 NO4* NC4* NC3* NC2* gd_17
6448 NO4* NC4* NC3* NO3* gd_18
6449 NC4* NO4* NC1* NC2* gd_29
6450 NO4* NC1* NN1 NC2 gd_16
6451 NO4* NC1* NC2* NO2* gd_18
6452 NO4* NC1* NC2* NC3* gd_17
6453 NO4* NC1* NC2* NC3* gd_34
6454 NN1 NC1* NC2* NO2* gd_17
6455 NC2 NC3 NC7 NN7 gd_10
6456 NC3 NC7 NN7 NH71 gd_14
6457 NC1* NC2* NO2* NH2* gd_23
6458 NC1* NC2* NC3* NC4* gd_34
6459 NC1* NC2* NC3* NO3* gd_17
6460 NO2* NC2* NC3* NC4* gd_17
6461 NO2* NC2* NC3* NO3* gd_18
6462 NC4* NC3* NO3* NH3* gd_23
6464 [ GLCA ]
6465 [ atoms ]
6466 C4 CH1 0.23200 0
6467 C3 CH1 0.23200 1
6468 O3 OA -0.64200 1
6469 HO3 H 0.41000 1
6470 C2 CH1 0.23200 2
6471 O2 OA -0.64200 2
6472 HO2 H 0.41000 2
6473 C6 CH2 0.23200 3
6474 O6 OA -0.64200 3
6475 HO6 H 0.41000 3
6476 C5 CH1 0.37600 4
6477 O5 OA -0.48000 4
6478 C1 CH1 0.232 4
6479 O1 OA -0.360 4
6480 [ bonds ]
6481 C4 C3 gb_26
6482 C4 C5 gb_26
6483 C3 O3 gb_20
6484 C3 C2 gb_26
6485 O3 HO3 gb_1
6486 C2 O2 gb_20
6487 C2 C1 gb_26
6488 O2 HO2 gb_1
6489 C6 O6 gb_20
6490 C6 C5 gb_26
6491 O6 HO6 gb_1
6492 C5 O5 gb_20
6493 O5 C1 gb_20
6494 C1 O1 gb_20
6495 O1 +C4 gb_20
6496 [ angles ]
6497 ; ai aj ak gromos type
6498 -C1 -O1 C4 ga_10
6499 -O1 C4 C3 ga_9
6500 -O1 C4 C5 ga_9
6501 C3 C4 C5 ga_8
6502 C4 C3 O3 ga_9
6503 C4 C3 C2 ga_8
6504 O3 C3 C2 ga_9
6505 C3 O3 HO3 ga_12
6506 C3 C2 O2 ga_9
6507 C3 C2 C1 ga_8
6508 O2 C2 C1 ga_9
6509 C2 O2 HO2 ga_12
6510 O6 C6 C5 ga_9
6511 C6 O6 HO6 ga_12
6512 C4 C5 C6 ga_8
6513 C4 C5 O5 ga_9
6514 C6 C5 O5 ga_9
6515 C5 O5 C1 ga_10
6516 C2 C1 O5 ga_9
6517 C2 C1 O1 ga_9
6518 O5 C1 O1 ga_9
6519 C1 O1 +C4 ga_10
6520 [ impropers ]
6521 ; ai aj ak al gromos type
6522 C4 C6 O5 C5 gi_2
6523 C3 O3 C2 C4 gi_2
6524 C5 -O1 C3 C4 gi_2
6525 C1 C3 O2 C2 gi_2
6526 C1 O5 O1 C2 gi_2
6527 [ dihedrals ]
6528 ; ai aj ak al gromos type
6529 -C1 -O1 C4 C3 gd_30
6530 -O1 C4 C3 O3 gd_18
6531 -O1 C4 C3 C2 gd_17
6532 C5 C4 C3 O3 gd_17
6533 C5 C4 C3 C2 gd_34
6534 -O1 C4 C5 C6 gd_17
6535 C3 C4 C5 C6 gd_34
6536 C3 C4 C5 O5 gd_17
6537 C2 C3 O3 HO3 gd_30
6538 C4 C3 C2 O2 gd_17
6539 C4 C3 C2 C1 gd_34
6540 O3 C3 C2 O2 gd_18
6541 O3 C3 C2 C1 gd_17
6542 C1 C2 O2 HO2 gd_30
6543 C3 C2 C1 O5 gd_17
6544 C3 C2 C1 O1 gd_17
6545 C3 C2 C1 O1 gd_34
6546 O2 C2 C1 O1 gd_18
6547 C5 C6 O6 HO6 gd_30
6548 O6 C6 C5 O5 gd_5
6549 O6 C6 C5 O5 gd_37
6550 C4 C5 O5 C1 gd_29
6551 C5 O5 C1 C2 gd_29
6552 O5 C1 O1 +C4 gd_6
6553 O5 C1 O1 +C4 gd_28
6555 [ GLCB ]
6556 [ atoms ]
6557 C4 CH1 0.23200 0
6558 C3 CH1 0.23200 1
6559 O3 OA -0.64200 1
6560 HO3 H 0.41000 1
6561 C2 CH1 0.23200 2
6562 O2 OA -0.64200 2
6563 HO2 H 0.41000 2
6564 C6 CH2 0.23200 3
6565 O6 OA -0.64200 3
6566 HO6 H 0.41000 3
6567 C5 CH1 0.37600 4
6568 O5 OA -0.48000 4
6569 C1 CH1 0.232 4
6570 O1 OA -0.360 4
6571 [ bonds ]
6572 C4 C3 gb_26
6573 C4 C5 gb_26
6574 C3 O3 gb_20
6575 C3 C2 gb_26
6576 O3 HO3 gb_1
6577 C2 O2 gb_20
6578 C2 C1 gb_26
6579 O2 HO2 gb_1
6580 C6 O6 gb_20
6581 C6 C5 gb_26
6582 O6 HO6 gb_1
6583 C5 O5 gb_20
6584 O5 C1 gb_20
6585 C1 O1 gb_20
6586 O1 +C4 gb_20
6587 [ angles ]
6588 ; ai aj ak gromos type
6589 -C1 -O1 C4 ga_10
6590 -O1 C4 C3 ga_9
6591 -O1 C4 C5 ga_9
6592 C3 C4 C5 ga_8
6593 C4 C3 O3 ga_9
6594 C4 C3 C2 ga_8
6595 O3 C3 C2 ga_9
6596 C3 O3 HO3 ga_12
6597 C3 C2 O2 ga_9
6598 C3 C2 C1 ga_8
6599 O2 C2 C1 ga_9
6600 C2 O2 HO2 ga_12
6601 O6 C6 C5 ga_9
6602 C6 O6 HO6 ga_12
6603 C4 C5 C6 ga_8
6604 C4 C5 O5 ga_9
6605 C6 C5 O5 ga_9
6606 C5 O5 C1 ga_10
6607 C2 C1 O5 ga_9
6608 C2 C1 O1 ga_9
6609 O5 C1 O1 ga_9
6610 C1 O1 +C4 ga_10
6611 [ impropers ]
6612 ; ai aj ak al gromos type
6613 C4 C6 O5 C5 gi_2
6614 C3 O3 C2 C4 gi_2
6615 C2 O5 O1 C1 gi_2
6616 C5 -O1 C3 C4 gi_2
6617 C1 C3 O2 C2 gi_2
6618 [ dihedrals ]
6619 ; ai aj ak al gromos type
6620 -C1 -O1 C4 C3 gd_30
6621 -O1 C4 C3 O3 gd_18
6622 -O1 C4 C3 C2 gd_17
6623 C5 C4 C3 O3 gd_17
6624 C5 C4 C3 C2 gd_34
6625 -O1 C4 C5 C6 gd_17
6626 C3 C4 C5 C6 gd_34
6627 C3 C4 C5 O5 gd_17
6628 C2 C3 O3 HO3 gd_30
6629 C4 C3 C2 O2 gd_17
6630 C4 C3 C2 C1 gd_34
6631 O3 C3 C2 O2 gd_18
6632 O3 C3 C2 C1 gd_17
6633 C1 C2 O2 HO2 gd_30
6634 C3 C2 C1 O5 gd_17
6635 C3 C2 C1 O1 gd_17
6636 C3 C2 C1 O1 gd_34
6637 O2 C2 C1 O1 gd_18
6638 C5 C6 O6 HO6 gd_30
6639 O6 C6 C5 O5 gd_5
6640 O6 C6 C5 O5 gd_37
6641 C4 C5 O5 C1 gd_29
6642 C5 O5 C1 C2 gd_29
6643 O5 C1 O1 +C4 gd_2
6644 O5 C1 O1 +C4 gd_32
6646 [ GALA ]
6647 [ atoms ]
6648 C4 CH1 0.23200 0
6649 C3 CH1 0.23200 1
6650 O3 OA -0.64200 1
6651 HO3 H 0.41000 1
6652 C2 CH1 0.23200 2
6653 O2 OA -0.64200 2
6654 HO2 H 0.41000 2
6655 C6 CH2 0.23200 3
6656 O6 OA -0.64200 3
6657 HO6 H 0.41000 3
6658 C5 CH1 0.37600 4
6659 O5 OA -0.48000 4
6660 C1 CH1 0.232 4
6661 O1 OA -0.360 4
6662 [ bonds ]
6663 C4 C3 gb_26
6664 C4 C5 gb_26
6665 C3 O3 gb_20
6666 C3 C2 gb_26
6667 O3 HO3 gb_1
6668 C2 O2 gb_20
6669 C2 C1 gb_26
6670 O2 HO2 gb_1
6671 C6 O6 gb_20
6672 C6 C5 gb_26
6673 O6 HO6 gb_1
6674 C5 O5 gb_20
6675 O5 C1 gb_20
6676 C1 O1 gb_20
6677 O1 +C4 gb_20
6678 [ angles ]
6679 ; ai aj ak gromos type
6680 -C1 -O1 C4 ga_10
6681 -O1 C4 C3 ga_9
6682 -O1 C4 C5 ga_9
6683 C3 C4 C5 ga_8
6684 C4 C3 O3 ga_9
6685 C4 C3 C2 ga_8
6686 O3 C3 C2 ga_9
6687 C3 O3 HO3 ga_12
6688 C3 C2 O2 ga_9
6689 C3 C2 C1 ga_8
6690 O2 C2 C1 ga_9
6691 C2 O2 HO2 ga_12
6692 O6 C6 C5 ga_9
6693 C6 O6 HO6 ga_12
6694 C4 C5 C6 ga_8
6695 C4 C5 O5 ga_9
6696 C6 C5 O5 ga_9
6697 C5 O5 C1 ga_10
6698 C2 C1 O5 ga_9
6699 C2 C1 O1 ga_9
6700 O5 C1 O1 ga_9
6701 C1 O1 +C4 ga_10
6702 [ impropers ]
6703 ; ai aj ak al gromos type
6704 C4 -O1 C3 C5 gi_2
6705 C4 C6 O5 C5 gi_2
6706 C3 O3 C2 C4 gi_2
6707 C1 C3 O2 C2 gi_2
6708 C1 O5 O1 C2 gi_2
6709 [ dihedrals ]
6710 ; ai aj ak al gromos type
6711 -C1 -O1 C4 C3 gd_30
6712 -O1 C4 C3 O3 gd_18
6713 -O1 C4 C3 C2 gd_17
6714 C5 C4 C3 O3 gd_17
6715 C5 C4 C3 C2 gd_34
6716 -O1 C4 C5 C6 gd_17
6717 C3 C4 C5 C6 gd_34
6718 C3 C4 C5 O5 gd_17
6719 C2 C3 O3 HO3 gd_30
6720 C4 C3 C2 O2 gd_17
6721 C4 C3 C2 C1 gd_34
6722 O3 C3 C2 O2 gd_18
6723 O3 C3 C2 C1 gd_17
6724 C1 C2 O2 HO2 gd_30
6725 C3 C2 C1 O5 gd_17
6726 C3 C2 C1 O1 gd_17
6727 C3 C2 C1 O1 gd_34
6728 O2 C2 C1 O1 gd_18
6729 C5 C6 O6 HO6 gd_30
6730 O6 C6 C5 C4 gd_1
6731 O6 C6 C5 O5 gd_3
6732 O6 C6 C5 O5 gd_35
6733 C4 C5 O5 C1 gd_29
6734 C5 O5 C1 C2 gd_29
6735 O5 C1 O1 +C4 gd_6
6736 O5 C1 O1 +C4 gd_28
6738 [ GALB ]
6739 [ atoms ]
6740 C4 CH1 0.23200 0
6741 C3 CH1 0.23200 1
6742 O3 OA -0.64200 1
6743 HO3 H 0.41000 1
6744 C2 CH1 0.23200 2
6745 O2 OA -0.64200 2
6746 HO2 H 0.41000 2
6747 C6 CH2 0.23200 3
6748 O6 OA -0.64200 3
6749 HO6 H 0.41000 3
6750 C5 CH1 0.37600 4
6751 O5 OA -0.48000 4
6752 C1 CH1 0.232 4
6753 O1 OA -0.360 4
6754 [ bonds ]
6755 C4 C3 gb_26
6756 C4 C5 gb_26
6757 C3 O3 gb_20
6758 C3 C2 gb_26
6759 O3 HO3 gb_1
6760 C2 O2 gb_20
6761 C2 C1 gb_26
6762 O2 HO2 gb_1
6763 C6 O6 gb_20
6764 C6 C5 gb_26
6765 O6 HO6 gb_1
6766 C5 O5 gb_20
6767 O5 C1 gb_20
6768 C1 O1 gb_20
6769 O1 +C4 gb_20
6770 [ angles ]
6771 ; ai aj ak gromos type
6772 -C1 -O1 C4 ga_10
6773 -O1 C4 C3 ga_9
6774 -O1 C4 C5 ga_9
6775 C3 C4 C5 ga_8
6776 C4 C3 O3 ga_9
6777 C4 C3 C2 ga_8
6778 O3 C3 C2 ga_9
6779 C3 O3 HO3 ga_12
6780 C3 C2 O2 ga_9
6781 C3 C2 C1 ga_8
6782 O2 C2 C1 ga_9
6783 C2 O2 HO2 ga_12
6784 O6 C6 C5 ga_9
6785 C6 O6 HO6 ga_12
6786 C4 C5 C6 ga_8
6787 C4 C5 O5 ga_9
6788 C6 C5 O5 ga_9
6789 C5 O5 C1 ga_10
6790 C2 C1 O5 ga_9
6791 C2 C1 O1 ga_9
6792 O5 C1 O1 ga_9
6793 C1 O1 +C4 ga_10
6794 [ impropers ]
6795 ; ai aj ak al gromos type
6796 C4 -O1 C3 C5 gi_2
6797 C4 C6 O5 C5 gi_2
6798 C3 O3 C2 C4 gi_2
6799 C2 O5 O1 C1 gi_2
6800 C1 C3 O2 C2 gi_2
6801 [ dihedrals ]
6802 ; ai aj ak al gromos type
6803 -C1 -O1 C4 C3 gd_30
6804 -O1 C4 C3 O3 gd_18
6805 -O1 C4 C3 C2 gd_17
6806 C5 C4 C3 O3 gd_17
6807 C5 C4 C3 C2 gd_34
6808 -O1 C4 C5 C6 gd_17
6809 C3 C4 C5 C6 gd_34
6810 C3 C4 C5 O5 gd_17
6811 C2 C3 O3 HO3 gd_30
6812 C4 C3 C2 O2 gd_17
6813 C4 C3 C2 C1 gd_34
6814 O3 C3 C2 O2 gd_18
6815 O3 C3 C2 C1 gd_17
6816 C1 C2 O2 HO2 gd_30
6817 C3 C2 C1 O5 gd_17
6818 C3 C2 C1 O1 gd_17
6819 C3 C2 C1 O1 gd_34
6820 O2 C2 C1 O1 gd_18
6821 C5 C6 O6 HO6 gd_30
6822 O6 C6 C5 C4 gd_1
6823 O6 C6 C5 O5 gd_3
6824 O6 C6 C5 O5 gd_35
6825 C4 C5 O5 C1 gd_29
6826 C5 O5 C1 C2 gd_29
6827 O5 C1 O1 +C4 gd_2
6828 O5 C1 O1 +C4 gd_32
6830 [ MANA ]
6831 [ atoms ]
6832 C4 CH1 0.23200 0
6833 C3 CH1 0.23200 1
6834 O3 OA -0.64200 1
6835 HO3 H 0.41000 1
6836 C2 CH1 0.23200 2
6837 O2 OA -0.64200 2
6838 HO2 H 0.41000 2
6839 C6 CH2 0.23200 3
6840 O6 OA -0.64200 3
6841 HO6 H 0.41000 3
6842 C5 CH1 0.37600 4
6843 O5 OA -0.48000 4
6844 C1 CH1 0.232 4
6845 O1 OA -0.360 4
6846 [ bonds ]
6847 C4 C3 gb_26
6848 C4 C5 gb_26
6849 C3 O3 gb_20
6850 C3 C2 gb_26
6851 O3 HO3 gb_1
6852 C2 O2 gb_20
6853 C2 C1 gb_26
6854 O2 HO2 gb_1
6855 C6 O6 gb_20
6856 C6 C5 gb_26
6857 O6 HO6 gb_1
6858 C5 O5 gb_20
6859 O5 C1 gb_20
6860 C1 O1 gb_20
6861 O1 +C4 gb_20
6862 [ angles ]
6863 ; ai aj ak gromos type
6864 -C1 -O1 C4 ga_10
6865 -O1 C4 C3 ga_9
6866 -O1 C4 C5 ga_9
6867 C3 C4 C5 ga_8
6868 C4 C3 O3 ga_9
6869 C4 C3 C2 ga_8
6870 O3 C3 C2 ga_9
6871 C3 O3 HO3 ga_12
6872 C3 C2 O2 ga_9
6873 C3 C2 C1 ga_8
6874 O2 C2 C1 ga_9
6875 C2 O2 HO2 ga_12
6876 O6 C6 C5 ga_9
6877 C6 O6 HO6 ga_12
6878 C4 C5 C6 ga_8
6879 C4 C5 O5 ga_9
6880 C6 C5 O5 ga_9
6881 C5 O5 C1 ga_10
6882 C2 C1 O5 ga_9
6883 C2 C1 O1 ga_9
6884 O5 C1 O1 ga_9
6885 C1 O1 +C4 ga_10
6886 [ impropers ]
6887 ; ai aj ak al gromos type
6888 C4 C6 O5 C5 gi_2
6889 C3 O3 C2 C4 gi_2
6890 C2 C3 O2 C1 gi_2
6891 C5 -O1 C3 C4 gi_2
6892 C1 O5 O1 C2 gi_2
6893 [ dihedrals ]
6894 ; ai aj ak al gromos type
6895 -C1 -O1 C4 C3 gd_30
6896 -O1 C4 C3 O3 gd_18
6897 -O1 C4 C3 C2 gd_17
6898 C5 C4 C3 O3 gd_17
6899 C5 C4 C3 C2 gd_34
6900 -O1 C4 C5 C6 gd_17
6901 C3 C4 C5 C6 gd_34
6902 C3 C4 C5 O5 gd_17
6903 C2 C3 O3 HO3 gd_30
6904 C4 C3 C2 O2 gd_17
6905 C4 C3 C2 C1 gd_34
6906 O3 C3 C2 O2 gd_18
6907 O3 C3 C2 C1 gd_17
6908 C1 C2 O2 HO2 gd_30
6909 C3 C2 C1 O5 gd_17
6910 C3 C2 C1 O1 gd_17
6911 C3 C2 C1 O1 gd_34
6912 O2 C2 C1 O1 gd_18
6913 C5 C6 O6 HO6 gd_30
6914 O6 C6 C5 O5 gd_5
6915 O6 C6 C5 O5 gd_37
6916 C4 C5 O5 C1 gd_29
6917 C5 O5 C1 C2 gd_29
6918 O5 C1 O1 +C4 gd_6
6919 O5 C1 O1 +C4 gd_28
6921 [ MANB ]
6922 [ atoms ]
6923 C4 CH1 0.23200 0
6924 C3 CH1 0.23200 1
6925 O3 OA -0.64200 1
6926 HO3 H 0.41000 1
6927 C2 CH1 0.23200 2
6928 O2 OA -0.64200 2
6929 HO2 H 0.41000 2
6930 C6 CH2 0.23200 3
6931 O6 OA -0.64200 3
6932 HO6 H 0.41000 3
6933 C5 CH1 0.37600 4
6934 O5 OA -0.48000 4
6935 C1 CH1 0.232 4
6936 O1 OA -0.360 4
6937 [ bonds ]
6938 C4 C3 gb_26
6939 C4 C5 gb_26
6940 C3 O3 gb_20
6941 C3 C2 gb_26
6942 O3 HO3 gb_1
6943 C2 O2 gb_20
6944 C2 C1 gb_26
6945 O2 HO2 gb_1
6946 C6 O6 gb_20
6947 C6 C5 gb_26
6948 O6 HO6 gb_1
6949 C5 O5 gb_20
6950 O5 C1 gb_20
6951 C1 O1 gb_20
6952 O1 +C4 gb_20
6953 [ angles ]
6954 ; ai aj ak gromos type
6955 -C1 -O1 C4 ga_10
6956 -O1 C4 C3 ga_9
6957 -O1 C4 C5 ga_9
6958 C3 C4 C5 ga_8
6959 C4 C3 O3 ga_9
6960 C4 C3 C2 ga_8
6961 O3 C3 C2 ga_9
6962 C3 O3 HO3 ga_12
6963 C3 C2 O2 ga_9
6964 C3 C2 C1 ga_8
6965 O2 C2 C1 ga_9
6966 C2 O2 HO2 ga_12
6967 O6 C6 C5 ga_9
6968 C6 O6 HO6 ga_12
6969 C4 C5 C6 ga_8
6970 C4 C5 O5 ga_9
6971 C6 C5 O5 ga_9
6972 C5 O5 C1 ga_10
6973 C2 C1 O5 ga_9
6974 C2 C1 O1 ga_9
6975 O5 C1 O1 ga_9
6976 C1 O1 +C4 ga_10
6977 [ impropers ]
6978 ; ai aj ak al gromos type
6979 C4 C6 O5 C5 gi_2
6980 C3 O3 C2 C4 gi_2
6981 C2 C3 O2 C1 gi_2
6982 C2 O5 O1 C1 gi_2
6983 C5 -O1 C3 C4 gi_2
6984 [ dihedrals ]
6985 ; ai aj ak al gromos type
6986 -C1 -O1 C4 C3 gd_30
6987 -O1 C4 C3 O3 gd_18
6988 -O1 C4 C3 C2 gd_17
6989 C5 C4 C3 O3 gd_17
6990 C5 C4 C3 C2 gd_34
6991 -O1 C4 C5 C6 gd_17
6992 C3 C4 C5 C6 gd_34
6993 C3 C4 C5 O5 gd_17
6994 C2 C3 O3 HO3 gd_30
6995 C4 C3 C2 O2 gd_17
6996 C4 C3 C2 C1 gd_34
6997 O3 C3 C2 O2 gd_18
6998 O3 C3 C2 C1 gd_17
6999 C1 C2 O2 HO2 gd_30
7000 C3 C2 C1 O5 gd_17
7001 C3 C2 C1 O1 gd_17
7002 C3 C2 C1 O1 gd_34
7003 O2 C2 C1 O1 gd_18
7004 C5 C6 O6 HO6 gd_30
7005 O6 C6 C5 O5 gd_5
7006 O6 C6 C5 O5 gd_37
7007 C4 C5 O5 C1 gd_29
7008 C5 O5 C1 C2 gd_29
7009 O5 C1 O1 +C4 gd_2
7010 O5 C1 O1 +C4 gd_32
7012 [ TRH ]
7013 [ atoms ]
7014 HO4 H 0.41000 0
7015 O4 OA -0.64200 0
7016 C4 CH1 0.23200 0
7017 C3 CH1 0.23200 1
7018 O3 OA -0.64200 1
7019 HO3 H 0.41000 1
7020 C2 CH1 0.23200 2
7021 O2 OA -0.64200 2
7022 HO2 H 0.41000 2
7023 C6 CH1 0.23200 3
7024 O6 OA -0.64200 3
7025 HO6 H 0.41000 3
7026 C5 CH1 0.37800 4
7027 O5 OA -0.45000 4
7028 C1 CH1 0.24200 4
7029 O1 OA -0.34000 4
7030 C1' CH1 0.24200 4
7031 O5' OA -0.45000 4
7032 C5' CH1 0.37800 4
7033 C4' CH1 0.27500 5
7034 O4' OA -0.60000 5
7035 HO4' H 0.47000 5
7036 C3' CH1 0.23200 6
7037 O3' OA -0.64200 6
7038 HO3' H 0.41000 6
7039 C2' CH1 0.23200 7
7040 O2' OA -0.64200 7
7041 HO2' H 0.41000 7
7042 C6' CH1 0.23200 8
7043 O6' OA -0.64200 8
7044 HO6' H 0.41000 8
7045 [ bonds ]
7046 HO4 O4 gb_1
7047 O4 C4 gb_20
7048 C4 C3 gb_26
7049 C4 C5 gb_26
7050 C3 O3 gb_20
7051 C3 C2 gb_26
7052 O3 HO3 gb_1
7053 C2 O2 gb_20
7054 C2 C1 gb_26
7055 O2 HO2 gb_1
7056 C6 O6 gb_20
7057 C6 C5 gb_26
7058 O6 HO6 gb_1
7059 C5 O5 gb_20
7060 O5 C1 gb_20
7061 C1 O1 gb_20
7062 O1 C1' gb_20
7063 C1' O5' gb_20
7064 C1' C2' gb_26
7065 O5' C5' gb_20
7066 C5' C4' gb_26
7067 C5' C6' gb_26
7068 C4' O4' gb_20
7069 C4' C3' gb_26
7070 O4' HO4' gb_1
7071 C3' O3' gb_20
7072 C3' C2' gb_26
7073 O3' HO3' gb_1
7074 C2' O2' gb_20
7075 O2' HO2' gb_1
7076 C6' O6' gb_20
7077 O6' HO6' gb_1
7078 [ angles ]
7079 ; ai aj ak gromos type
7080 HO4 O4 C4 ga_12
7081 O4 C4 C3 ga_9
7082 O4 C4 C5 ga_9
7083 C3 C4 C5 ga_8
7084 C4 C3 O3 ga_9
7085 C4 C3 C2 ga_8
7086 O3 C3 C2 ga_9
7087 C3 O3 HO3 ga_12
7088 C3 C2 O2 ga_9
7089 C3 C2 C1 ga_8
7090 O2 C2 C1 ga_9
7091 C2 O2 HO2 ga_12
7092 O6 C6 C5 ga_9
7093 C6 O6 HO6 ga_12
7094 C4 C5 C6 ga_8
7095 C4 C5 O5 ga_9
7096 C6 C5 O5 ga_9
7097 C5 O5 C1 ga_10
7098 C2 C1 O5 ga_9
7099 C2 C1 O1 ga_9
7100 O5 C1 O1 ga_9
7101 C1 O1 C1' ga_10
7102 O1 C1' O5' ga_9
7103 O1 C1' C2' ga_9
7104 O5' C1' C2' ga_9
7105 C1' O5' C5' ga_10
7106 O5' C5' C4' ga_9
7107 O5' C5' C6' ga_9
7108 C4' C5' C6' ga_8
7109 C5' C4' O4' ga_9
7110 C5' C4' C3' ga_8
7111 O4' C4' C3' ga_9
7112 C4' O4' HO4' ga_12
7113 C4' C3' O3' ga_9
7114 C4' C3' C2' ga_8
7115 O3' C3' C2' ga_9
7116 C3' O3' HO3' ga_12
7117 C1' C2' C3' ga_8
7118 C1' C2' O2' ga_9
7119 C3' C2' O2' ga_9
7120 C2' O2' HO2' ga_12
7121 C5' C6' O6' ga_9
7122 C6' O6' HO6' ga_12
7123 [ impropers ]
7124 ; ai aj ak al gromos type
7125 C4 C6 O5 C5 gi_2
7126 C3 O3 C2 C4 gi_2
7127 C5 O4 C3 C4 gi_2
7128 C1 C3 O2 C2 gi_2
7129 C1 O5 O1 C2 gi_2
7130 C1' C3' O2' C2' gi_2
7131 C5' O5' C6' C4' gi_2
7132 C5' O4' C3' C4' gi_2
7133 C3' O3' C2' C4' gi_2
7134 C2' O1 O5' C1' gi_2
7135 [ dihedrals ]
7136 ; ai aj ak al gromos type
7137 HO4 O4 C4 C3 gd_30
7138 O4 C4 C3 O3 gd_18
7139 O4 C4 C3 C2 gd_17
7140 C5 C4 C3 O3 gd_17
7141 C5 C4 C3 C2 gd_34
7142 O4 C4 C5 C6 gd_17
7143 C3 C4 C5 C6 gd_34
7144 C3 C4 C5 O5 gd_17
7145 C2 C3 O3 HO3 gd_30
7146 C4 C3 C2 O2 gd_17
7147 C4 C3 C2 C1 gd_34
7148 O3 C3 C2 O2 gd_18
7149 O3 C3 C2 C1 gd_17
7150 C1 C2 O2 HO2 gd_30
7151 C3 C2 C1 O5 gd_17
7152 C3 C2 C1 O1 gd_17
7153 C3 C2 C1 O1 gd_34
7154 O2 C2 C1 O1 gd_18
7155 C5 C6 O6 HO6 gd_30
7156 O6 C6 C5 C5 gd_5
7157 O6 C6 C5 O5 gd_37
7158 C4 C5 O5 C1 gd_29
7159 C2' C5 O3' O3' gd_30
7160 C5 O5 C1 C2 gd_29
7161 O5 C1 O1 C1' gd_6
7162 O5 C1 O1 C1' gd_28
7163 C1 O1 C1' O5' gd_6
7164 C1 O1 C1' O5' gd_28
7165 C2' C1' O5' C5' gd_29
7166 O1 C1' C2' C3' gd_17
7167 O1 C1' C2' C3' gd_34
7168 O1 C1' C2' O2' gd_18
7169 O5' C1' C2' C3' gd_17
7170 C1' O5' C5' C4' gd_29
7171 O5' C5' C4' C3' gd_17
7172 C6' C5' C4' O4' gd_17
7173 C6' C5' C4' C3' gd_34
7174 O5' C5' C6' O6' gd_5
7175 O5' C5' C6' O6' gd_37
7176 C3' C4' O4' HO4' gd_30
7177 C5' C4' C3' O3' gd_17
7178 C5' C4' C3' C2' gd_34
7179 O4' C4' C3' C2' gd_17
7180 C4' O4' C3' O3' gd_18
7181 C4' C3' C2' C1' gd_34
7182 C4' C3' C2' O2' gd_17
7183 O3' C3' C2' C1' gd_17
7184 O3' C3' C2' O2' gd_18
7185 C1' C2' O2' HO2' gd_30
7186 C5' C6' O6' HO6' gd_30
7188 [ UGLB ]
7189 [ atoms ]
7190 C4 CH1 0.23200 0
7191 C3 CH1 0.23200 1
7192 O3 OA -0.64200 1
7193 HO3 H 0.41000 1
7194 C2 CH1 0.23200 2
7195 O2 OA -0.64200 2
7196 HO2 H 0.41000 2
7197 C6 C 0.36000 3
7198 O61 OM -0.68000 3
7199 O62 OM -0.68000 3
7200 C5 CH1 0.37600 4
7201 O5 OA -0.48000 4
7202 C1 CH1 0.232 4
7203 O1 OA -0.360 4
7204 [ bonds ]
7205 C4 C3 gb_26
7206 C4 C5 gb_26
7207 C3 O3 gb_20
7208 C3 C2 gb_26
7209 O3 HO3 gb_1
7210 C2 O2 gb_20
7211 C2 C1 gb_26
7212 O2 HO2 gb_1
7213 C6 O61 gb_6
7214 C6 O62 gb_6
7215 C6 C5 gb_27
7216 C5 O5 gb_20
7217 O5 C1 gb_20
7218 C1 O1 gb_20
7219 O1 +C4 gb_20
7220 [ angles ]
7221 ; ai aj ak gromos type
7222 -C1 -O1 C4 ga_10
7223 -O1 C4 C3 ga_9
7224 -O1 C4 C5 ga_9
7225 C3 C4 C5 ga_8
7226 C4 C3 O3 ga_9
7227 C4 C3 C2 ga_8
7228 O3 C3 C2 ga_9
7229 C3 O3 HO3 ga_12
7230 C3 C2 O2 ga_9
7231 C3 C2 C1 ga_8
7232 O2 C2 C1 ga_9
7233 C2 O2 HO2 ga_12
7234 O61 C6 O62 ga_38
7235 O61 C6 C5 ga_22
7236 O62 C6 C5 ga_22
7237 C4 C5 C6 ga_8
7238 C4 C5 O5 ga_9
7239 C6 C5 O5 ga_9
7240 C5 O5 C1 ga_10
7241 C2 C1 O5 ga_9
7242 C2 C1 O1 ga_9
7243 O5 C1 O1 ga_9
7244 C1 O1 +C4 ga_10
7245 [ impropers ]
7246 ; ai aj ak al gromos type
7247 C4 C6 O5 C5 gi_2
7248 C3 O3 C2 C4 gi_2
7249 C2 O5 O1 C1 gi_2
7250 C6 O61 O62 C5 gi_1
7251 C5 -O1 C3 C4 gi_2
7252 C1 C3 O2 C2 gi_2
7253 [ dihedrals ]
7254 ; ai aj ak al gromos type
7255 -C1 -O1 C4 C3 gd_30
7256 -O1 C4 C3 O3 gd_18
7257 -O1 C4 C3 C2 gd_17
7258 C5 C4 C3 O3 gd_17
7259 C5 C4 C3 C2 gd_34
7260 -O1 C4 C5 C6 gd_17
7261 C3 C4 C5 C6 gd_34
7262 C3 C4 C5 O5 gd_17
7263 C2 C3 O3 HO3 gd_30
7264 C4 C3 C2 O2 gd_17
7265 C4 C3 C2 C1 gd_34
7266 O3 C3 C2 O2 gd_18
7267 O3 C3 C2 C1 gd_17
7268 C1 C2 O2 HO2 gd_30
7269 C3 C2 C1 O5 gd_17
7270 C3 C2 C1 O1 gd_17
7271 C3 C2 C1 O1 gd_34
7272 O2 C2 C1 O1 gd_18
7273 O61 C6 C5 O5 gd_40
7274 C4 C5 O5 C1 gd_29
7275 C5 O5 C1 C2 gd_29
7276 O5 C1 O1 +C4 gd_2
7277 O5 C1 O1 +C4 gd_32
7279 [ UMNB ]
7280 [ atoms ]
7281 C4 CH1 0.23200 0
7282 C3 CH1 0.23200 1
7283 O3 OA -0.64200 1
7284 HO3 H 0.41000 1
7285 C2 CH1 0.23200 2
7286 O2 OA -0.64200 2
7287 HO2 H 0.41000 2
7288 C6 C 0.36000 3
7289 O61 OM -0.68000 3
7290 O62 OM -0.68000 3
7291 C5 CH1 0.37600 4
7292 O5 OA -0.48000 4
7293 C1 CH1 0.232 4
7294 O1 OA -0.360 4
7295 [ bonds ]
7296 C4 C3 gb_26
7297 C4 C5 gb_26
7298 C3 O3 gb_20
7299 C3 C2 gb_26
7300 O3 HO3 gb_1
7301 C2 O2 gb_20
7302 C2 C1 gb_26
7303 O2 HO2 gb_1
7304 C6 O61 gb_6
7305 C6 O62 gb_6
7306 C6 C5 gb_27
7307 C5 O5 gb_20
7308 O5 C1 gb_20
7309 C1 O1 gb_20
7310 O1 +C4 gb_20
7311 [ angles ]
7312 ; ai aj ak gromos type
7313 -C1 -O1 C4 ga_10
7314 -O1 C4 C3 ga_9
7315 -O1 C4 C5 ga_9
7316 C3 C4 C5 ga_8
7317 C4 C3 O3 ga_9
7318 C4 C3 C2 ga_8
7319 O3 C3 C2 ga_9
7320 C3 O3 HO3 ga_12
7321 C3 C2 O2 ga_9
7322 C3 C2 C1 ga_8
7323 O2 C2 C1 ga_9
7324 C2 O2 HO2 ga_12
7325 O61 C6 O62 ga_38
7326 O61 C6 C5 ga_22
7327 O62 C6 C5 ga_22
7328 C4 C5 C6 ga_8
7329 C4 C5 O5 ga_9
7330 C6 C5 O5 ga_9
7331 C5 O5 C1 ga_10
7332 C2 C1 O5 ga_9
7333 C2 C1 O1 ga_9
7334 O5 C1 O1 ga_9
7335 C1 O1 +C4 ga_10
7336 [ impropers ]
7337 ; ai aj ak al gromos type
7338 C4 C6 O5 C5 gi_2
7339 C3 O3 C2 C4 gi_2
7340 C2 C3 O2 C1 gi_2
7341 C2 O5 O1 C1 gi_2
7342 C6 O61 O62 C5 gi_1
7343 C5 -O1 C3 C4 gi_2
7344 [ dihedrals ]
7345 ; ai aj ak al gromos type
7346 -C1 -O1 C4 C3 gd_30
7347 -O1 C4 C3 O3 gd_18
7348 -O1 C4 C3 C2 gd_17
7349 C5 C4 C3 O3 gd_17
7350 C5 C4 C3 C2 gd_34
7351 -O1 C4 C5 C6 gd_17
7352 C3 C4 C5 C6 gd_34
7353 C3 C4 C5 O5 gd_17
7354 C2 C3 O3 HO3 gd_30
7355 C4 C3 C2 O2 gd_17
7356 C4 C3 C2 C1 gd_34
7357 O3 C3 C2 O2 gd_18
7358 O3 C3 C2 C1 gd_17
7359 C1 C2 O2 HO2 gd_30
7360 C3 C2 C1 O5 gd_17
7361 C3 C2 C1 O1 gd_17
7362 C3 C2 C1 O1 gd_34
7363 O2 C2 C1 O1 gd_18
7364 O61 C6 C5 O5 gd_40
7365 C4 C5 O5 C1 gd_29
7366 C5 O5 C1 C2 gd_29
7367 O5 C1 O1 +C4 gd_2
7368 O5 C1 O1 +C4 gd_32
7370 [ UGAA ]
7371 [ atoms ]
7372 C4 CH1 0.23200 0
7373 C3 CH1 0.23200 1
7374 O3 OA -0.64200 1
7375 HO3 H 0.41000 1
7376 C2 CH1 0.23200 2
7377 O2 OA -0.64200 2
7378 HO2 H 0.41000 2
7379 C6 C 0.36000 3
7380 O61 OM -0.68000 3
7381 O62 OM -0.68000 3
7382 C5 CH1 0.37600 4
7383 O5 OA -0.48000 4
7384 C1 CH1 0.232 4
7385 O1 OA -0.360 4
7386 [ bonds ]
7387 C4 C3 gb_26
7388 C4 C5 gb_26
7389 C3 O3 gb_20
7390 C3 C2 gb_26
7391 O3 HO3 gb_1
7392 C2 O2 gb_20
7393 C2 C1 gb_26
7394 O2 HO2 gb_1
7395 C6 O61 gb_6
7396 C6 O62 gb_6
7397 C6 C5 gb_27
7398 C5 O5 gb_20
7399 O5 C1 gb_20
7400 C1 O1 gb_20
7401 O1 +C4 gb_20
7402 [ angles ]
7403 ; ai aj ak gromos type
7404 -C1 -O1 C4 ga_10
7405 -O1 C4 C3 ga_9
7406 -O1 C4 C5 ga_9
7407 C3 C4 C5 ga_8
7408 C4 C3 O3 ga_9
7409 C4 C3 C2 ga_8
7410 O3 C3 C2 ga_9
7411 C3 O3 HO3 ga_12
7412 C3 C2 O2 ga_9
7413 C3 C2 C1 ga_8
7414 O2 C2 C1 ga_9
7415 C2 O2 HO2 ga_12
7416 O61 C6 O62 ga_38
7417 O61 C6 C5 ga_22
7418 O62 C6 C5 ga_22
7419 C4 C5 C6 ga_8
7420 C4 C5 O5 ga_9
7421 C6 C5 O5 ga_9
7422 C5 O5 C1 ga_10
7423 C2 C1 O5 ga_9
7424 C2 C1 O1 ga_9
7425 O5 C1 O1 ga_9
7426 C1 O1 +C4 ga_10
7427 [ impropers ]
7428 ; ai aj ak al gromos type
7429 C4 -O1 C3 C5 gi_2
7430 C4 C6 O5 C5 gi_2
7431 C3 O3 C2 C4 gi_2
7432 C6 O61 O62 C5 gi_1
7433 C1 C3 O2 C2 gi_2
7434 C1 O5 O1 C2 gi_2
7435 [ dihedrals ]
7436 ; ai aj ak al gromos type
7437 -C1 -O1 C4 C3 gd_30
7438 -O1 C4 C3 O3 gd_18
7439 -O1 C4 C3 C2 gd_17
7440 C5 C4 C3 O3 gd_17
7441 C5 C4 C3 C2 gd_34
7442 -O1 C4 C5 C6 gd_17
7443 C3 C4 C5 C6 gd_34
7444 C3 C4 C5 O5 gd_17
7445 C2 C3 O3 HO3 gd_30
7446 C4 C3 C2 O2 gd_17
7447 C4 C3 C2 C1 gd_34
7448 O3 C3 C2 O2 gd_18
7449 O3 C3 C2 C1 gd_17
7450 C1 C2 O2 HO2 gd_30
7451 C3 C2 C1 O5 gd_17
7452 C3 C2 C1 O1 gd_17
7453 C3 C2 C1 O1 gd_34
7454 O2 C2 C1 O1 gd_18
7455 O61 C6 C5 O5 gd_40
7456 C4 C5 O5 C1 gd_29
7457 C5 O5 C1 C2 gd_29
7458 O5 C1 O1 +C4 gd_6
7459 O5 C1 O1 +C4 gd_28
7461 [ UGUA ]
7462 [ atoms ]
7463 C4 CH1 0.23200 0
7464 C3 CH1 0.23200 1
7465 O3 OA -0.64200 1
7466 HO3 H 0.41000 1
7467 C2 CH1 0.23200 2
7468 O2 OA -0.64200 2
7469 HO2 H 0.41000 2
7470 C6 C 0.36000 3
7471 O61 OM -0.68000 3
7472 O62 OM -0.68000 3
7473 C5 CH1 0.37600 4
7474 O5 OA -0.48000 4
7475 C1 CH1 0.232 4
7476 O1 OA -0.360 4
7477 [ bonds ]
7478 C4 C3 gb_26
7479 C4 C5 gb_26
7480 C3 O3 gb_20
7481 C3 C2 gb_26
7482 O3 HO3 gb_1
7483 C2 O2 gb_20
7484 C2 C1 gb_26
7485 O2 HO2 gb_1
7486 C6 O61 gb_6
7487 C6 O62 gb_6
7488 C6 C5 gb_27
7489 C5 O5 gb_20
7490 O5 C1 gb_20
7491 C1 O1 gb_20
7492 O1 +C4 gb_20
7493 [ angles ]
7494 ; ai aj ak gromos type
7495 -C1 -O1 C4 ga_10
7496 -O1 C4 C3 ga_9
7497 -O1 C4 C5 ga_9
7498 C3 C4 C5 ga_8
7499 C4 C3 O3 ga_9
7500 C4 C3 C2 ga_8
7501 O3 C3 C2 ga_9
7502 C3 O3 HO3 ga_12
7503 C3 C2 O2 ga_9
7504 C3 C2 C1 ga_8
7505 O2 C2 C1 ga_9
7506 C2 O2 HO2 ga_12
7507 O61 C6 O62 ga_38
7508 O61 C6 C5 ga_22
7509 O62 C6 C5 ga_22
7510 C4 C5 C6 ga_8
7511 C4 C5 O5 ga_9
7512 C6 C5 O5 ga_9
7513 C5 O5 C1 ga_10
7514 C2 C1 O5 ga_9
7515 C2 C1 O1 ga_9
7516 O5 C1 O1 ga_9
7517 C1 O1 +C4 ga_10
7518 [ impropers ]
7519 ; ai aj ak al gromos type
7520 C4 -O1 C3 C5 gi_2
7521 C4 O3 C2 C3 gi_2
7522 C4 C6 O5 C5 gi_2
7523 C6 O61 O62 C5 gi_1
7524 C1 C3 O2 C2 gi_2
7525 C1 O5 O1 C2 gi_2
7526 [ dihedrals ]
7527 ; ai aj ak al gromos type
7528 -C1 -O1 C4 C3 gd_30
7529 -O1 C4 C3 O3 gd_18
7530 -O1 C4 C3 C2 gd_17
7531 C5 C4 C3 O3 gd_17
7532 C5 C4 C3 C2 gd_34
7533 -O1 C4 C5 C6 gd_17
7534 C3 C4 C5 C6 gd_34
7535 C3 C4 C5 O5 gd_17
7536 C2 C3 O3 HO3 gd_30
7537 C4 C3 C2 O2 gd_17
7538 C4 C3 C2 C1 gd_34
7539 O3 C3 C2 O2 gd_18
7540 O3 C3 C2 C1 gd_17
7541 C1 C2 O2 HO2 gd_30
7542 C3 C2 C1 O5 gd_17
7543 C3 C2 C1 O1 gd_17
7544 C3 C2 C1 O1 gd_34
7545 O2 C2 C1 O1 gd_18
7546 O61 C6 C5 O5 gd_40
7547 C4 C5 O5 C1 gd_29
7548 C5 O5 C1 C2 gd_29
7549 O5 C1 O1 +C4 gd_6
7550 O5 C1 O1 +C4 gd_28
7552 [ DPPC ]
7553 [ atoms ]
7554 C33 CH3p 0.40000 0
7555 C34 CH3p 0.40000 0
7556 C35 CH3p 0.40000 0
7557 N NL -0.50000 0
7558 C32 CH2 0.30000 0
7559 C31 CH2 0.40000 1
7560 O32 OA -0.80000 1
7561 P P 1.70000 1
7562 O33 OM -0.80000 1
7563 O34 OM -0.80000 1
7564 O31 OA -0.70000 1
7565 C3 CH2 0.40000 2
7566 C2 CH1 0.30000 2
7567 O21 OE -0.70000 2
7568 C21 C 0.70000 2
7569 O22 O -0.70000 2
7570 C22 CH2 0.00000 3
7571 C23 CH2 0.00000 4
7572 C24 CH2 0.00000 5
7573 C25 CH2 0.00000 6
7574 C26 CH2 0.00000 7
7575 C27 CH2 0.00000 8
7576 C28 CH2 0.00000 9
7577 C29 CH2 0.00000 10
7578 C210 CH2 0.00000 11
7579 C211 CH2 0.00000 12
7580 C212 CH2 0.00000 13
7581 C213 CH2 0.00000 14
7582 C214 CH2 0.00000 15
7583 C215 CH2 0.00000 16
7584 C216 CH3 0.00000 17
7585 C1 CH2 0.50000 18
7586 O11 OE -0.70000 18
7587 C11 C 0.80000 18
7588 O12 O -0.60000 18
7589 C12 CH2 0.00000 19
7590 C13 CH2 0.00000 20
7591 C14 CH2 0.00000 21
7592 C15 CH2 0.00000 22
7593 C16 CH2 0.00000 23
7594 C17 CH2 0.00000 24
7595 C18 CH2 0.00000 25
7596 C19 CH2 0.00000 26
7597 C110 CH2 0.00000 27
7598 C111 CH2 0.00000 28
7599 C112 CH2 0.00000 29
7600 C113 CH2 0.00000 30
7601 C114 CH2 0.00000 31
7602 C115 CH2 0.00000 32
7603 C116 CH3 0.00000 33
7604 [ bonds ]
7605 C33 N gb_21
7606 C34 N gb_21
7607 C35 N gb_21
7608 N C32 gb_21
7609 C32 C31 gb_27
7610 C31 O32 gb_18
7611 O32 P gb_28
7612 P O33 gb_24
7613 P O34 gb_24
7614 P O31 gb_28
7615 O31 C3 gb_18
7616 C3 C2 gb_27
7617 C2 O21 gb_18
7618 C2 C1 gb_27
7619 O21 C21 gb_10
7620 C21 O22 gb_5
7621 C21 C22 gb_23
7622 C22 C23 gb_27
7623 C23 C24 gb_27
7624 C24 C25 gb_27
7625 C25 C26 gb_27
7626 C26 C27 gb_27
7627 C27 C28 gb_27
7628 C28 C29 gb_27
7629 C29 C210 gb_27
7630 C210 C211 gb_27
7631 C211 C212 gb_27
7632 C212 C213 gb_27
7633 C213 C214 gb_27
7634 C214 C215 gb_27
7635 C215 C216 gb_27
7636 C1 O11 gb_18
7637 O11 C11 gb_10
7638 C11 O12 gb_5
7639 C11 C12 gb_23
7640 C12 C13 gb_27
7641 C13 C14 gb_27
7642 C14 C15 gb_27
7643 C15 C16 gb_27
7644 C16 C17 gb_27
7645 C17 C18 gb_27
7646 C18 C19 gb_27
7647 C19 C110 gb_27
7648 C110 C111 gb_27
7649 C111 C112 gb_27
7650 C112 C113 gb_27
7651 C113 C114 gb_27
7652 C114 C115 gb_27
7653 C115 C116 gb_27
7654 [ angles ]
7655 ; ai aj ak gromos type
7656 C33 N C34 ga_13
7657 C33 N C35 ga_13
7658 C33 N C32 ga_13
7659 C34 N C35 ga_13
7660 C34 N C32 ga_13
7661 C35 N C32 ga_13
7662 N C32 C31 ga_15
7663 C32 C31 O32 ga_15
7664 C31 O32 P ga_26
7665 O32 P O33 ga_14
7666 O32 P O34 ga_14
7667 O32 P O31 ga_5
7668 O33 P O34 ga_29
7669 O33 P O31 ga_14
7670 O34 P O31 ga_14
7671 P O31 C3 ga_26
7672 O31 C3 C2 ga_15
7673 C3 C2 O21 ga_13
7674 C3 C2 C1 ga_13
7675 O21 C2 C1 ga_13
7676 C2 O21 C21 ga_22
7677 O21 C21 O22 ga_31
7678 O21 C21 C22 ga_16
7679 O22 C21 C22 ga_35
7680 C21 C22 C23 ga_15
7681 C22 C23 C24 ga_15
7682 C23 C24 C25 ga_15
7683 C24 C25 C26 ga_15
7684 C25 C26 C27 ga_15
7685 C26 C27 C28 ga_15
7686 C27 C28 C29 ga_15
7687 C28 C29 C210 ga_15
7688 C29 C210 C211 ga_15
7689 C210 C211 C212 ga_15
7690 C211 C212 C213 ga_15
7691 C212 C213 C214 ga_15
7692 C213 C214 C215 ga_15
7693 C214 C215 C216 ga_15
7694 C2 C1 O11 ga_15
7695 C1 O11 C11 ga_22
7696 O11 C11 O12 ga_31
7697 O11 C11 C12 ga_16
7698 O12 C11 C12 ga_35
7699 C11 C12 C13 ga_15
7700 C12 C13 C14 ga_15
7701 C13 C14 C15 ga_15
7702 C14 C15 C16 ga_15
7703 C15 C16 C17 ga_15
7704 C16 C17 C18 ga_15
7705 C17 C18 C19 ga_15
7706 C18 C19 C110 ga_15
7707 C19 C110 C111 ga_15
7708 C110 C111 C112 ga_15
7709 C111 C112 C113 ga_15
7710 C112 C113 C114 ga_15
7711 C113 C114 C115 ga_15
7712 C114 C115 C116 ga_15
7713 [ impropers ]
7714 ; ai aj ak al gromos type
7715 O21 C3 C1 C2 gi_2
7716 C21 O21 C22 O22 gi_1
7717 C11 O11 C12 O12 gi_1
7718 [ dihedrals ]
7719 ; ai aj ak al gromos type
7720 C33 N C32 C31 gd_29
7721 N C32 C31 O32 gd_4
7722 N C32 C31 O32 gd_36
7723 C32 C31 O32 P gd_29
7724 C31 O32 P O31 gd_20
7725 C31 O32 P O31 gd_27
7726 O32 P O31 C3 gd_20
7727 O32 P O31 C3 gd_27
7728 P O31 C3 C2 gd_29
7729 O31 C3 C2 C1 gd_34
7730 C3 C2 O21 C21 gd_29
7731 C3 C2 C1 O11 gd_34
7732 C2 O21 C21 C22 gd_13
7733 O21 C21 C22 C23 gd_40
7734 C21 C22 C23 C24 gd_34
7735 C22 C23 C24 C25 gd_34
7736 C23 C24 C25 C26 gd_34
7737 C24 C25 C26 C27 gd_34
7738 C25 C26 C27 C28 gd_34
7739 C26 C27 C28 C29 gd_34
7740 C27 C28 C29 C210 gd_34
7741 C28 C29 C210 C211 gd_34
7742 C29 C210 C211 C212 gd_34
7743 C210 C211 C212 C213 gd_34
7744 C211 C212 C213 C214 gd_34
7745 C212 C213 C214 C215 gd_34
7746 C213 C214 C215 C216 gd_34
7747 C2 C1 O11 C11 gd_29
7748 C1 O11 C11 C12 gd_13
7749 O11 C11 C12 C13 gd_40
7750 C11 C12 C13 C14 gd_34
7751 C12 C13 C14 C15 gd_34
7752 C13 C14 C15 C16 gd_34
7753 C14 C15 C16 C17 gd_34
7754 C15 C16 C17 C18 gd_34
7755 C16 C17 C18 C19 gd_34
7756 C17 C18 C19 C110 gd_34
7757 C18 C19 C110 C111 gd_34
7758 C19 C110 C111 C112 gd_34
7759 C110 C111 C112 C113 gd_34
7760 C111 C112 C113 C114 gd_34
7761 C112 C113 C114 C115 gd_34
7762 C113 C114 C115 C116 gd_34
7764 [ HEME ]
7765 [ atoms ]
7766 FE FE 0.40000 0
7767 NA NR -0.10000 0
7768 NB NR -0.10000 0
7769 NC NR -0.10000 0
7770 ND NR -0.10000 0
7771 CHA C -0.10000 1
7772 HHA HC 0.10000 1
7773 C1A C 0.00000 2
7774 C2A C 0.00000 2
7775 C3A C 0.00000 2
7776 C4A C 0.00000 2
7777 CMA CH3 0.00000 3
7778 CAA CH2 0.00000 4
7779 CBA CH2 0.00000 4
7780 CGA C 0.27000 5
7781 O1A OM -0.63500 5
7782 O2A OM -0.63500 5
7783 CHB C -0.10000 6
7784 HHB HC 0.10000 6
7785 C1B C 0.00000 7
7786 C2B C 0.00000 7
7787 C3B C 0.00000 7
7788 C4B C 0.00000 7
7789 CMB CH3 0.00000 8
7790 CAB CR1 0.00000 9
7791 CBB CH2 0.00000 9
7792 CHC C -0.10000 10
7793 HHC HC 0.10000 10
7794 C1C C 0.00000 11
7795 C2C C 0.00000 11
7796 C3C C 0.00000 11
7797 C4C C 0.00000 11
7798 CMC CH3 0.00000 12
7799 CAC CR1 0.00000 13
7800 CBC CH2 0.00000 13
7801 CHD C -0.10000 14
7802 HHD HC 0.10000 14
7803 C1D C 0.00000 15
7804 C2D C 0.00000 15
7805 C3D C 0.00000 15
7806 C4D C 0.00000 15
7807 CMD CH3 0.00000 16
7808 CAD CH2 0.00000 17
7809 CBD CH2 0.00000 17
7810 CGD C 0.27000 18
7811 O1D OM -0.63500 18
7812 O2D OM -0.63500 18
7813 [ bonds ]
7814 FE NA gb_35
7815 FE NB gb_35
7816 FE NC gb_35
7817 FE ND gb_35
7818 NA C1A gb_14
7819 NA C4A gb_14
7820 NB C1B gb_14
7821 NB C4B gb_14
7822 NC C1C gb_14
7823 NC C4C gb_14
7824 ND C1D gb_14
7825 ND C4D gb_14
7826 CHA HHA gb_3
7827 CHA C1A gb_17
7828 CHA C4D gb_17
7829 C1A C2A gb_17
7830 C2A C3A gb_17
7831 C2A CAA gb_27
7832 C3A C4A gb_17
7833 C3A CMA gb_27
7834 C4A CHB gb_17
7835 CAA CBA gb_27
7836 CBA CGA gb_27
7837 CGA O1A gb_6
7838 CGA O2A gb_6
7839 CHB HHB gb_3
7840 CHB C1B gb_17
7841 C1B C2B gb_17
7842 C2B C3B gb_17
7843 C2B CMB gb_27
7844 C3B C4B gb_17
7845 C3B CAB gb_27
7846 C4B CHC gb_17
7847 CAB CBB gb_12
7848 CHC HHC gb_3
7849 CHC C1C gb_17
7850 C1C C2C gb_17
7851 C2C C3C gb_17
7852 C2C CMC gb_27
7853 C3C C4C gb_17
7854 C3C CAC gb_27
7855 C4C CHD gb_17
7856 CAC CBC gb_12
7857 CHD HHD gb_3
7858 CHD C1D gb_17
7859 C1D C2D gb_17
7860 C2D C3D gb_17
7861 C2D CMD gb_27
7862 C3D C4D gb_17
7863 C3D CAD gb_27
7864 CAD CBD gb_27
7865 CBD CGD gb_27
7866 CGD O1D gb_6
7867 CGD O2D gb_6
7868 [ exclusions ]
7869 ; ai aj
7870 FE CHA
7871 FE C2A
7872 FE C3A
7873 FE CHB
7874 FE C2B
7875 FE C3B
7876 FE CHC
7877 FE C2C
7878 FE C3C
7879 FE CHD
7880 FE C2D
7881 FE C3D
7882 NA HHA
7883 NA CMA
7884 NA CAA
7885 NA HHB
7886 NA C1B
7887 NA C4B
7888 NA C1C
7889 NA C4C
7890 NA C1D
7891 NA C4D
7892 NB C1A
7893 NB C4A
7894 NB HHB
7895 NB CMB
7896 NB CAB
7897 NB HHC
7898 NB C1C
7899 NB C4C
7900 NB C1D
7901 NB C4D
7902 NC C1A
7903 NC C4A
7904 NC C1B
7905 NC C4B
7906 NC HHC
7907 NC CMC
7908 NC CAC
7909 NC HHD
7910 NC C1D
7911 NC C4D
7912 ND HHA
7913 ND C1A
7914 ND C4A
7915 ND C1B
7916 ND C4B
7917 ND C1C
7918 ND C4C
7919 ND HHD
7920 ND CMD
7921 ND CAD
7922 CHA C3A
7923 CHA C4A
7924 CHA CAA
7925 CHA C1D
7926 CHA C2D
7927 CHA CAD
7928 HHA C2A
7929 HHA C3D
7930 C1A CMA
7931 C1A CHB
7932 C1A C3D
7933 C2A CHB
7934 C3A HHB
7935 C3A C1B
7936 C4A CAA
7937 C4A C2B
7938 CMA CAA
7939 CMA CHB
7940 CHB C3B
7941 CHB C4B
7942 CHB CMB
7943 HHB C2B
7944 C1B CAB
7945 C1B CHC
7946 C2B CHC
7947 C3B HHC
7948 C3B C1C
7949 C4B CMB
7950 C4B C2C
7951 CMB CAB
7952 CAB CHC
7953 CHC C3C
7954 CHC C4C
7955 CHC CMC
7956 HHC C2C
7957 C1C CAC
7958 C1C CHD
7959 C2C CHD
7960 C3C HHD
7961 C3C C1D
7962 C4C CMC
7963 C4C C2D
7964 CMC CAC
7965 CAC CHD
7966 CHD C3D
7967 CHD C4D
7968 CHD CMD
7969 HHD C2D
7970 C1D CAD
7971 C4D CMD
7972 CMD CAD
7973 [ angles ]
7974 ; ai aj ak gromos type
7975 NA FE NB ga_2
7976 NA FE ND ga_2
7977 NB FE NC ga_2
7978 NC FE ND ga_2
7979 FE NA C1A ga_36
7980 FE NA C4A ga_36
7981 C1A NA C4A ga_6
7982 FE NB C1B ga_36
7983 FE NB C4B ga_36
7984 C1B NB C4B ga_6
7985 FE NC C1C ga_36
7986 FE NC C4C ga_36
7987 C1C NC C4C ga_6
7988 FE ND C1D ga_36
7989 FE ND C4D ga_36
7990 C1D ND C4D ga_6
7991 HHA CHA C1A ga_20
7992 HHA CHA C4D ga_20
7993 C1A CHA C4D ga_37
7994 NA C1A CHA ga_33
7995 NA C1A C2A ga_15
7996 CHA C1A C2A ga_38
7997 C1A C2A C3A ga_7
7998 C1A C2A CAA ga_37
7999 C3A C2A CAA ga_37
8000 C2A C3A C4A ga_7
8001 C2A C3A CMA ga_37
8002 C4A C3A CMA ga_37
8003 NA C4A C3A ga_15
8004 NA C4A CHB ga_33
8005 C3A C4A CHB ga_38
8006 C2A CAA CBA ga_15
8007 CAA CBA CGA ga_15
8008 CBA CGA O1A ga_22
8009 CBA CGA O2A ga_22
8010 O1A CGA O2A ga_38
8011 C4A CHB HHB ga_20
8012 C4A CHB C1B ga_37
8013 HHB CHB C1B ga_20
8014 NB C1B CHB ga_33
8015 NB C1B C2B ga_15
8016 CHB C1B C2B ga_38
8017 C1B C2B C3B ga_7
8018 C1B C2B CMB ga_37
8019 C3B C2B CMB ga_37
8020 C2B C3B C4B ga_7
8021 C2B C3B CAB ga_37
8022 C4B C3B CAB ga_37
8023 NB C4B C3B ga_15
8024 NB C4B CHC ga_33
8025 C3B C4B CHC ga_38
8026 C3B CAB CBB ga_37
8027 C4B CHC HHC ga_20
8028 C4B CHC C1C ga_37
8029 HHC CHC C1C ga_20
8030 NC C1C CHC ga_33
8031 NC C1C C2C ga_15
8032 CHC C1C C2C ga_38
8033 C1C C2C C3C ga_7
8034 C1C C2C CMC ga_37
8035 C3C C2C CMC ga_37
8036 C2C C3C C4C ga_7
8037 C2C C3C CAC ga_37
8038 C4C C3C CAC ga_37
8039 NC C4C C3C ga_15
8040 NC C4C CHD ga_33
8041 C3C C4C CHD ga_38
8042 C3C CAC CBC ga_37
8043 C4C CHD HHD ga_20
8044 C4C CHD C1D ga_37
8045 HHD CHD C1D ga_20
8046 ND C1D CHD ga_33
8047 ND C1D C2D ga_15
8048 CHD C1D C2D ga_38
8049 C1D C2D C3D ga_7
8050 C1D C2D CMD ga_37
8051 C3D C2D CMD ga_37
8052 C2D C3D C4D ga_7
8053 C2D C3D CAD ga_37
8054 C4D C3D CAD ga_37
8055 ND C4D CHA ga_33
8056 ND C4D C3D ga_15
8057 CHA C4D C3D ga_38
8058 C3D CAD CBD ga_15
8059 CAD CBD CGD ga_15
8060 CBD CGD O1D ga_22
8061 CBD CGD O2D ga_22
8062 O1D CGD O2D ga_38
8063 [ impropers ]
8064 ; ai aj ak al gromos type
8065 FE C1A C4A NA gi_3
8066 FE C1B C4B NB gi_3
8067 FE C1C C4C NC gi_3
8068 FE C1D C4D ND gi_3
8069 NA C1A C2A C3A gi_1
8070 NB C1B C2B C3B gi_1
8071 NC C1C C2C C3C gi_1
8072 ND C1D C2D C3D gi_1
8073 CHA NA C2A C1A gi_1
8074 CHA ND C3D C4D gi_1
8075 HHA C1A C4D CHA gi_1
8076 C1A NA C4A C3A gi_1
8077 C1A C2A C3A C4A gi_1
8078 C2A C1A C3A CAA gi_1
8079 C2A C3A C4A NA gi_1
8080 C3A C2A C4A CMA gi_1
8081 C4A NA C1A C2A gi_1
8082 CBA O1A O2A CGA gi_1
8083 CHB NA C3A C4A gi_1
8084 CHB NB C2B C1B gi_1
8085 CHB C4A C1B HHB gi_1
8086 C1B NB C4B C3B gi_1
8087 C1B C2B C3B C4B gi_1
8088 C2B C1B C3B CMB gi_1
8089 C2B C3B C4B NB gi_1
8090 C3B C2B C4B CAB gi_1
8091 C4B NB C1B C2B gi_1
8092 CHC NB C3B C4B gi_1
8093 CHC NC C2C C1C gi_1
8094 CHC C4B C1C HHC gi_1
8095 C1C NC C4C C3C gi_1
8096 C1C C2C C3C C4C gi_1
8097 C2C C1C C3C CMC gi_1
8098 C2C C3C C4C NC gi_1
8099 C3C C2C C4C CAC gi_1
8100 C4C NC C1C C2C gi_1
8101 CHD NC C3C C4C gi_1
8102 CHD ND C2D C1D gi_1
8103 CHD C4C C1D HHD gi_1
8104 C1D ND C4D C3D gi_1
8105 C1D C2D C3D C4D gi_1
8106 C2D C1D C3D CMD gi_1
8107 C2D C3D C4D ND gi_1
8108 C3D C2D C4D CAD gi_1
8109 C4D ND C1D C2D gi_1
8110 CBD O1D O2D CGD gi_1
8111 [ dihedrals ]
8112 ; ai aj ak al gromos type
8113 C4D CHA C1A NA gd_15
8114 C1A CHA C4D ND gd_15
8115 C1A C2A CAA CBA gd_40
8116 NA C4A CHB C1B gd_15
8117 C2A CAA CBA CGA gd_34
8118 CAA CBA CGA O1A gd_40
8119 C4A CHB C1B NB gd_15
8120 C2B C3B CAB CBB gd_9
8121 NB C4B CHC C1C gd_15
8122 C4B CHC C1C NC gd_15
8123 C2C C3C CAC CBC gd_9
8124 NC C4C CHD C1D gd_15
8125 C4C CHD C1D ND gd_15
8126 C2D C3D CAD CBD gd_40
8127 C3D CAD CBD CGD gd_34
8128 CAD CBD CGD O1D gd_40
8130 [ HEMC ]
8131 [ atoms ]
8132 FE FE 0.40000 0
8133 NA NR -0.10000 0
8134 NB NR -0.10000 0
8135 NC NR -0.10000 0
8136 ND NR -0.10000 0
8137 CHA C -0.10000 1
8138 HHA HC 0.10000 1
8139 C1A C 0.00000 2
8140 C2A C 0.00000 2
8141 C3A C 0.00000 2
8142 C4A C 0.00000 2
8143 CMA CH3 0.00000 3
8144 CAA CH2 0.00000 4
8145 CBA CH2 0.00000 4
8146 CGA C 0.27000 5
8147 O1A OM -0.63500 5
8148 O2A OM -0.63500 5
8149 CHB C -0.10000 6
8150 HHB HC 0.10000 6
8151 C1B C 0.00000 7
8152 C2B C 0.00000 7
8153 C3B C 0.00000 7
8154 C4B C 0.00000 7
8155 CMB CH3 0.00000 8
8156 CAB CR1 0.00000 9
8157 CBB CH2 0.00000 9
8158 CHC C -0.10000 10
8159 HHC HC 0.10000 10
8160 C1C C 0.00000 11
8161 C2C C 0.00000 11
8162 C3C C 0.00000 11
8163 C4C C 0.00000 11
8164 CMC CH3 0.00000 12
8165 CAC CR1 0.00000 13
8166 CBC CH2 0.00000 13
8167 CHD C -0.10000 14
8168 HHD HC 0.10000 14
8169 C1D C 0.00000 15
8170 C2D C 0.00000 15
8171 C3D C 0.00000 15
8172 C4D C 0.00000 15
8173 CMD CH3 0.00000 16
8174 CAD CH2 0.00000 17
8175 CBD CH2 0.00000 17
8176 CGD C 0.27000 18
8177 O1D OM -0.63500 18
8178 O2D OM -0.63500 18
8179 C1O C 0.00000 19
8180 O1C O 0.00000 19
8181 [ bonds ]
8182 FE NA gb_35
8183 FE NB gb_35
8184 FE NC gb_35
8185 FE ND gb_35
8186 FE C1O gb_30
8187 NA C1A gb_14
8188 NA C4A gb_14
8189 NB C1B gb_14
8190 NB C4B gb_14
8191 NC C1C gb_14
8192 NC C4C gb_14
8193 ND C1D gb_14
8194 ND C4D gb_14
8195 CHA HHA gb_3
8196 CHA C1A gb_17
8197 CHA C4D gb_17
8198 C1A C2A gb_17
8199 C2A C3A gb_17
8200 C2A CAA gb_27
8201 C3A C4A gb_17
8202 C3A CMA gb_27
8203 C4A CHB gb_17
8204 CAA CBA gb_27
8205 CBA CGA gb_27
8206 CGA O1A gb_6
8207 CGA O2A gb_6
8208 CHB HHB gb_3
8209 CHB C1B gb_17
8210 C1B C2B gb_17
8211 C2B C3B gb_17
8212 C2B CMB gb_27
8213 C3B C4B gb_17
8214 C3B CAB gb_27
8215 C4B CHC gb_17
8216 CAB CBB gb_12
8217 CHC HHC gb_3
8218 CHC C1C gb_17
8219 C1C C2C gb_17
8220 C2C C3C gb_17
8221 C2C CMC gb_27
8222 C3C C4C gb_17
8223 C3C CAC gb_27
8224 C4C CHD gb_17
8225 CAC CBC gb_12
8226 CHD HHD gb_3
8227 CHD C1D gb_17
8228 C1D C2D gb_17
8229 C2D C3D gb_17
8230 C2D CMD gb_27
8231 C3D C4D gb_17
8232 C3D CAD gb_27
8233 CAD CBD gb_27
8234 CBD CGD gb_27
8235 CGD O1D gb_6
8236 CGD O2D gb_6
8237 C1O O1C gb_4
8238 [ exclusions ]
8239 ; ai aj
8240 FE CHA
8241 FE C2A
8242 FE C3A
8243 FE CHB
8244 FE C2B
8245 FE C3B
8246 FE CHC
8247 FE C2C
8248 FE C3C
8249 FE CHD
8250 FE C2D
8251 FE C3D
8252 NA HHA
8253 NA CMA
8254 NA CAA
8255 NA HHB
8256 NA C1B
8257 NA C4B
8258 NA C1C
8259 NA C4C
8260 NA C1D
8261 NA C4D
8262 NA O1C
8263 NB C1A
8264 NB C4A
8265 NB HHB
8266 NB CMB
8267 NB CAB
8268 NB HHC
8269 NB C1C
8270 NB C4C
8271 NB C1D
8272 NB C4D
8273 NB O1C
8274 NC C1A
8275 NC C4A
8276 NC C1B
8277 NC C4B
8278 NC HHC
8279 NC CMC
8280 NC CAC
8281 NC HHD
8282 NC C1D
8283 NC C4D
8284 NC O1C
8285 ND HHA
8286 ND C1A
8287 ND C4A
8288 ND C1B
8289 ND C4B
8290 ND C1C
8291 ND C4C
8292 ND HHD
8293 ND CMD
8294 ND CAD
8295 ND O1C
8296 CHA C3A
8297 CHA C4A
8298 CHA CAA
8299 CHA C1D
8300 CHA C2D
8301 CHA CAD
8302 HHA C2A
8303 HHA C3D
8304 C1A CMA
8305 C1A CHB
8306 C1A C3D
8307 C1A C1O
8308 C2A CHB
8309 C3A HHB
8310 C3A C1B
8311 C4A CAA
8312 C4A C2B
8313 C4A C1O
8314 CMA CAA
8315 CMA CHB
8316 CHB C3B
8317 CHB C4B
8318 CHB CMB
8319 HHB C2B
8320 C1B CAB
8321 C1B CHC
8322 C1B C1O
8323 C2B CHC
8324 C3B HHC
8325 C3B C1C
8326 C4B CMB
8327 C4B C2C
8328 C4B C1O
8329 CMB CAB
8330 CAB CHC
8331 CHC C3C
8332 CHC C4C
8333 CHC CMC
8334 HHC C2C
8335 C1C CAC
8336 C1C CHD
8337 C1C C1O
8338 C2C CHD
8339 C3C HHD
8340 C3C C1D
8341 C4C CMC
8342 C4C C2D
8343 C4C C1O
8344 CMC CAC
8345 CAC CHD
8346 CHD C3D
8347 CHD C4D
8348 CHD CMD
8349 HHD C2D
8350 C1D CAD
8351 C1D C1O
8352 C4D CMD
8353 C4D C1O
8354 CMD CAD
8355 [ angles ]
8356 ; ai aj ak gromos type
8357 NA FE NB ga_2
8358 NA FE ND ga_2
8359 NA FE C1O ga_1
8360 NB FE NC ga_2
8361 NB FE C1O ga_1
8362 NC FE ND ga_2
8363 NC FE C1O ga_1
8364 ND FE C1O ga_1
8365 FE NA C1A ga_36
8366 FE NA C4A ga_36
8367 C1A NA C4A ga_6
8368 FE NB C1B ga_36
8369 FE NB C4B ga_36
8370 C1B NB C4B ga_6
8371 FE NC C1C ga_36
8372 FE NC C4C ga_36
8373 C1C NC C4C ga_6
8374 FE ND C1D ga_36
8375 FE ND C4D ga_36
8376 C1D ND C4D ga_6
8377 HHA CHA C1A ga_20
8378 HHA CHA C4D ga_20
8379 C1A CHA C4D ga_37
8380 NA C1A CHA ga_33
8381 NA C1A C2A ga_15
8382 CHA C1A C2A ga_38
8383 C1A C2A C3A ga_7
8384 C1A C2A CAA ga_37
8385 C3A C2A CAA ga_37
8386 C2A C3A C4A ga_7
8387 C2A C3A CMA ga_37
8388 C4A C3A CMA ga_37
8389 NA C4A C3A ga_15
8390 NA C4A CHB ga_33
8391 C3A C4A CHB ga_38
8392 C2A CAA CBA ga_15
8393 CAA CBA CGA ga_15
8394 CBA CGA O1A ga_22
8395 CBA CGA O2A ga_22
8396 O1A CGA O2A ga_38
8397 C4A CHB HHB ga_20
8398 C4A CHB C1B ga_37
8399 HHB CHB C1B ga_20
8400 NB C1B CHB ga_33
8401 NB C1B C2B ga_15
8402 CHB C1B C2B ga_38
8403 C1B C2B C3B ga_7
8404 C1B C2B CMB ga_37
8405 C3B C2B CMB ga_37
8406 C2B C3B C4B ga_7
8407 C2B C3B CAB ga_37
8408 C4B C3B CAB ga_37
8409 NB C4B C3B ga_15
8410 NB C4B CHC ga_33
8411 C3B C4B CHC ga_38
8412 C3B CAB CBB ga_37
8413 C4B CHC HHC ga_20
8414 C4B CHC C1C ga_37
8415 HHC CHC C1C ga_20
8416 NC C1C CHC ga_33
8417 NC C1C C2C ga_15
8418 CHC C1C C2C ga_38
8419 C1C C2C C3C ga_7
8420 C1C C2C CMC ga_37
8421 C3C C2C CMC ga_37
8422 C2C C3C C4C ga_7
8423 C2C C3C CAC ga_37
8424 C4C C3C CAC ga_37
8425 NC C4C C3C ga_15
8426 NC C4C CHD ga_33
8427 C3C C4C CHD ga_38
8428 C3C CAC CBC ga_37
8429 C4C CHD HHD ga_20
8430 C4C CHD C1D ga_37
8431 HHD CHD C1D ga_20
8432 ND C1D CHD ga_33
8433 ND C1D C2D ga_15
8434 CHD C1D C2D ga_38
8435 C1D C2D C3D ga_7
8436 C1D C2D CMD ga_37
8437 C3D C2D CMD ga_37
8438 C2D C3D C4D ga_7
8439 C2D C3D CAD ga_37
8440 C4D C3D CAD ga_37
8441 ND C4D CHA ga_33
8442 ND C4D C3D ga_15
8443 CHA C4D C3D ga_38
8444 C3D CAD CBD ga_15
8445 CAD CBD CGD ga_15
8446 CBD CGD O1D ga_22
8447 CBD CGD O2D ga_22
8448 O1D CGD O2D ga_38
8449 FE C1O O1C ga_41
8450 [ impropers ]
8451 ; ai aj ak al gromos type
8452 FE C1A C4A NA gi_3
8453 FE C1B C4B NB gi_3
8454 FE C1C C4C NC gi_3
8455 FE C1D C4D ND gi_3
8456 NA C1A C2A C3A gi_1
8457 NB C1B C2B C3B gi_1
8458 NC C1C C2C C3C gi_1
8459 ND C1D C2D C3D gi_1
8460 CHA NA C2A C1A gi_1
8461 CHA ND C3D C4D gi_1
8462 HHA C1A C4D CHA gi_1
8463 C1A NA C4A C3A gi_1
8464 C1A C2A C3A C4A gi_1
8465 C2A C1A C3A CAA gi_1
8466 C2A C3A C4A NA gi_1
8467 C3A C2A C4A CMA gi_1
8468 C4A NA C1A C2A gi_1
8469 CBA O1A O2A CGA gi_1
8470 CHB NA C3A C4A gi_1
8471 CHB NB C2B C1B gi_1
8472 CHB C4A C1B HHB gi_1
8473 C1B NB C4B C3B gi_1
8474 C1B C2B C3B C4B gi_1
8475 C2B C1B C3B CMB gi_1
8476 C2B C3B C4B NB gi_1
8477 C3B C2B C4B CAB gi_1
8478 C4B NB C1B C2B gi_1
8479 CHC NB C3B C4B gi_1
8480 CHC NC C2C C1C gi_1
8481 CHC C4B C1C HHC gi_1
8482 C1C NC C4C C3C gi_1
8483 C1C C2C C3C C4C gi_1
8484 C2C C1C C3C CMC gi_1
8485 C2C C3C C4C NC gi_1
8486 C3C C2C C4C CAC gi_1
8487 C4C NC C1C C2C gi_1
8488 CHD NC C3C C4C gi_1
8489 CHD ND C2D C1D gi_1
8490 CHD C4C C1D HHD gi_1
8491 C1D ND C4D C3D gi_1
8492 C1D C2D C3D C4D gi_1
8493 C2D C1D C3D CMD gi_1
8494 C2D C3D C4D ND gi_1
8495 C3D C2D C4D CAD gi_1
8496 C4D ND C1D C2D gi_1
8497 CBD O1D O2D CGD gi_1
8498 [ dihedrals ]
8499 ; ai aj ak al gromos type
8500 C4D CHA C1A NA gd_15
8501 C1A CHA C4D ND gd_15
8502 C1A C2A CAA CBA gd_40
8503 NA C4A CHB C1B gd_15
8504 C2A CAA CBA CGA gd_34
8505 CAA CBA CGA O1A gd_40
8506 C4A CHB C1B NB gd_15
8507 C2B C3B CAB CBB gd_9
8508 NB C4B CHC C1C gd_15
8509 C4B CHC C1C NC gd_15
8510 C2C C3C CAC CBC gd_9
8511 NC C4C CHD C1D gd_15
8512 C4C CHD C1D ND gd_15
8513 C2D C3D CAD CBD gd_40
8514 C3D CAD CBD CGD gd_34
8515 CAD CBD CGD O1D gd_40
8517 [ CYTa ]
8518 [ atoms ]
8519 C4* CH1 0.16000 0
8520 O4* OA -0.36000 0
8521 C1* CH1 0.20000 0
8522 N1 NR -0.20000 1
8523 C6 CR1 0.20000 1
8524 C2 C 0.38000 2
8525 O2 O -0.38000 2
8526 N3 NR -0.36000 3
8527 C4 C 0.36000 3
8528 N4 NT -0.83000 4
8529 H41 H 0.41500 4
8530 H42 H 0.41500 4
8531 C5 CR1 0.00000 5
8532 C2* CH1 0.15000 6
8533 O2* OA -0.54800 6
8534 H2* H 0.39800 6
8535 C3* CH1 0.00000 7
8536 O3* OA -0.36000 8
8537 SI1 P 0.54000 8
8538 OSI OA -0.36000 8
8539 SI2 P 0.54000 8
8540 O5* OA -0.36000 8
8541 C5* CH2r 0.00000 9
8542 C11 CH1 0.00000 10
8543 C111 CH3 0.00000 10
8544 C112 CH3 0.00000 10
8545 C12 CH1 0.00000 11
8546 C121 CH3 0.00000 11
8547 C122 CH3 0.00000 11
8548 C21 CH1 0.00000 12
8549 C211 CH3 0.00000 12
8550 C212 CH3 0.00000 12
8551 C22 CH1 0.00000 13
8552 C221 CH3 0.00000 13
8553 C222 CH3 0.00000 13
8554 [ bonds ]
8555 C4* O4* gb_20
8556 C4* C3* gb_26
8557 C4* C5* gb_26
8558 O4* C1* gb_20
8559 C1* N1 gb_23
8560 C1* C2* gb_26
8561 N1 C6 gb_17
8562 N1 C2 gb_17
8563 C6 C5 gb_16
8564 C2 O2 gb_5
8565 C2 N3 gb_12
8566 N3 C4 gb_12
8567 C4 N4 gb_9
8568 C4 C5 gb_16
8569 N4 H41 gb_2
8570 N4 H42 gb_2
8571 C2* O2* gb_20
8572 C2* C3* gb_26
8573 O2* H2* gb_1
8574 C3* O3* gb_20
8575 O3* SI1 gb_29
8576 SI1 OSI gb_29
8577 SI1 C11 gb_33
8578 SI1 C12 gb_33
8579 OSI SI2 gb_29
8580 SI2 O5* gb_29
8581 SI2 C21 gb_33
8582 SI2 C22 gb_33
8583 O5* C5* gb_20
8584 C11 C111 gb_27
8585 C11 C112 gb_27
8586 C12 C121 gb_27
8587 C12 C122 gb_27
8588 C21 C211 gb_27
8589 C21 C212 gb_27
8590 C22 C221 gb_27
8591 C22 C222 gb_27
8592 [ exclusions ]
8593 ; ai aj
8594 C1* O2
8595 C1* N3
8596 C1* C5
8597 N1 C4
8598 C6 O2
8599 C6 N3
8600 C6 N4
8601 C2 N4
8602 C2 C5
8603 O2 C4
8604 [ angles ]
8605 ; ai aj ak gromos type
8606 O4* C4* C3* ga_9
8607 O4* C4* C5* ga_9
8608 C3* C4* C5* ga_8
8609 C4* O4* C1* ga_10
8610 O4* C1* N1 ga_9
8611 O4* C1* C2* ga_9
8612 N1 C1* C2* ga_8
8613 C1* N1 C6 ga_27
8614 C1* N1 C2 ga_27
8615 C6 N1 C2 ga_27
8616 N1 C6 C5 ga_27
8617 N1 C2 O2 ga_27
8618 N1 C2 N3 ga_27
8619 O2 C2 N3 ga_27
8620 C2 N3 C4 ga_27
8621 N3 C4 N4 ga_27
8622 N3 C4 C5 ga_27
8623 N4 C4 C5 ga_27
8624 C4 N4 H41 ga_23
8625 C4 N4 H42 ga_23
8626 H41 N4 H42 ga_24
8627 C6 C5 C4 ga_27
8628 C1* C2* O2* ga_9
8629 C1* C2* C3* ga_8
8630 O2* C2* C3* ga_9
8631 C2* O2* H2* ga_12
8632 C4* C3* C2* ga_8
8633 C4* C3* O3* ga_9
8634 C2* C3* O3* ga_9
8635 C3* O3* SI1 ga_26
8636 O3* SI1 OSI ga_12
8637 O3* SI1 C11 ga_12
8638 O3* SI1 C12 ga_12
8639 OSI SI1 C11 ga_12
8640 OSI SI1 C12 ga_12
8641 C11 SI1 C12 ga_12
8642 SI1 OSI SI2 ga_40
8643 OSI SI2 O5* ga_12
8644 OSI SI2 C21 ga_12
8645 OSI SI2 C22 ga_12
8646 O5* SI2 C21 ga_12
8647 O5* SI2 C22 ga_12
8648 C21 SI2 C22 ga_12
8649 SI2 O5* C5* ga_26
8650 C4* C5* O5* ga_9
8651 SI1 C11 C111 ga_13
8652 SI1 C11 C112 ga_13
8653 C111 C11 C112 ga_15
8654 SI1 C12 C121 ga_13
8655 SI1 C12 C122 ga_13
8656 C121 C12 C122 ga_15
8657 SI2 C21 C211 ga_13
8658 SI2 C21 C212 ga_13
8659 C211 C21 C212 ga_15
8660 SI2 C22 C221 ga_13
8661 SI2 C22 C222 ga_13
8662 C221 C22 C222 ga_15
8663 [ impropers ]
8664 ; ai aj ak al gromos type
8665 C4* O4* C5* C3* gi_2
8666 N1 C6 C2 C1* gi_1
8667 N1 C6 C5 C4 gi_1
8668 N1 C2 N3 C4 gi_1
8669 C6 N1 C2 N3 gi_1
8670 C2 N1 C6 C5 gi_1
8671 C2 N3 C4 C5 gi_1
8672 O2 N1 N3 C2 gi_1
8673 N3 C4 C5 C6 gi_1
8674 N4 N3 C5 C4 gi_1
8675 N4 H41 H42 C4 gi_1
8676 C2* O4* N1 C1* gi_2
8677 C2* O2* C3* C1* gi_2
8678 C3* C2* O3* C4* gi_2
8679 SI1 C111 C112 C11 gi_2
8680 SI1 C121 C122 C12 gi_2
8681 SI2 C211 C212 C21 gi_2
8682 SI2 C221 C222 C22 gi_2
8683 [ dihedrals ]
8684 ; ai aj ak al gromos type
8685 C3* C4* O4* C1* gd_29
8686 O4* C4* C3* C2* gd_17
8687 O4* C4* C3* O3* gd_18
8688 C5* C4* C3* C2* gd_34
8689 C5* C4* C3* O3* gd_17
8690 O4* C4* C5* O5* gd_18
8691 C3* C4* C5* O5* gd_17
8692 C3* C4* C5* O5* gd_34
8693 C4* O4* C1* C2* gd_29
8694 O4* C1* N1 C2 gd_16
8695 O4* C1* C2* O2* gd_18
8696 O4* C1* C2* C3* gd_17
8697 O4* C1* C2* C3* gd_34
8698 N1 C1* C2* O2* gd_17
8699 N3 C4 N4 H41 gd_14
8700 C1* C2* O2* H2* gd_23
8701 C1* C2* C3* C4* gd_34
8702 C1* C2* C3* O3* gd_17
8703 O2* C2* C3* C4* gd_17
8704 O2* C2* C3* O3* gd_18
8705 C4* C3* O3* SI1 gd_29
8706 C3* O3* SI1 OSI gd_29
8707 O3* SI1 OSI SI2 gd_29
8708 O3* SI1 C11 C111 gd_34
8709 O3* SI1 C12 C121 gd_34
8710 SI1 OSI SI2 O5* gd_29
8711 OSI SI2 O5* C5* gd_29
8712 O5* SI2 C21 C211 gd_34
8713 O5* SI2 C22 C221 gd_34
8714 SI2 O5* C5* C4* gd_29
8716 [ MTXH ]
8717 [ atoms ]
8718 N1 NR -0.28000 0
8719 HA1 H 0.28000 0
8720 C2 C 0.00000 0
8721 NA2 NT -0.83000 1
8722 HA21 H 0.41500 1
8723 HA22 H 0.41500 1
8724 N3 NR -0.36000 2
8725 C4 C 0.36000 2
8726 NA4 NT -0.83000 3
8727 HA41 H 0.41500 3
8728 HA42 H 0.41500 3
8729 C4A C 0.00000 4
8730 N5 NR -0.36000 4
8731 C6 C 0.36000 4
8732 C7 CR1 0.36000 5
8733 N8 NR -0.36000 5
8734 C8A C 0.00000 5
8735 C9 CH2 0.00000 6
8736 N10 NE 0.00000 6
8737 CM10 CH3 0.00000 6
8738 C14 C 0.00000 7
8739 C13 CR1 0.00000 7
8740 C15 CR1 0.00000 7
8741 C12 CR1 0.00000 8
8742 C16 CR1 0.00000 8
8743 C11 C 0.00000 8
8744 C C 0.38000 9
8745 O O -0.38000 9
8746 N N -0.28000 10
8747 H H 0.28000 10
8748 CA CH1 0.00000 11
8749 CB CH2 0.00000 11
8750 CG CH2 0.00000 11
8751 CD C 0.27000 12
8752 OE1 OM -0.63500 12
8753 OE2 OM -0.63500 12
8754 CT C 0.27000 13
8755 O1 OM -0.63500 13
8756 O2 OM -0.63500 13
8757 [ bonds ]
8758 N1 HA1 gb_2
8759 N1 C2 gb_17
8760 N1 C8A gb_17
8761 C2 NA2 gb_9
8762 C2 N3 gb_12
8763 NA2 HA21 gb_2
8764 NA2 HA22 gb_2
8765 N3 C4 gb_12
8766 C4 NA4 gb_9
8767 C4 C4A gb_16
8768 NA4 HA41 gb_2
8769 NA4 HA42 gb_2
8770 C4A N5 gb_12
8771 C4A C8A gb_16
8772 N5 C6 gb_12
8773 C6 C7 gb_16
8774 C6 C9 gb_27
8775 C7 N8 gb_7
8776 N8 C8A gb_12
8777 C9 N10 gb_21
8778 N10 CM10 gb_21
8779 N10 C14 gb_11
8780 C14 C13 gb_16
8781 C14 C15 gb_16
8782 C13 C12 gb_16
8783 C15 C16 gb_16
8784 C12 C11 gb_16
8785 C16 C11 gb_16
8786 C11 C gb_27
8787 C O gb_5
8788 C N gb_10
8789 N H gb_2
8790 N CA gb_21
8791 CA CB gb_27
8792 CA CT gb_27
8793 CB CG gb_27
8794 CG CD gb_27
8795 CD OE1 gb_6
8796 CD OE2 gb_6
8797 CT O1 gb_6
8798 CT O2 gb_6
8799 [ exclusions ]
8800 ; ai aj
8801 N1 C4
8802 N1 N5
8803 N1 C7
8804 HA1 NA2
8805 HA1 N3
8806 HA1 C4A
8807 HA1 N8
8808 C2 NA4
8809 C2 C4A
8810 C2 N8
8811 NA2 C4
8812 NA2 C8A
8813 N3 N5
8814 N3 C8A
8815 C4 C6
8816 C4 N8
8817 NA4 N5
8818 NA4 C8A
8819 C4A C7
8820 C4A C9
8821 N5 N8
8822 C6 C8A
8823 N8 C9
8824 N10 C12
8825 N10 C16
8826 C14 C11
8827 C13 C16
8828 C13 C
8829 C15 C12
8830 C15 C
8831 [ angles ]
8832 ; ai aj ak gromos type
8833 HA1 N1 C2 ga_25
8834 HA1 N1 C8A ga_25
8835 C2 N1 C8A ga_27
8836 N1 C2 NA2 ga_27
8837 N1 C2 N3 ga_27
8838 NA2 C2 N3 ga_27
8839 C2 NA2 HA21 ga_23
8840 C2 NA2 HA22 ga_23
8841 HA21 NA2 HA22 ga_24
8842 C2 N3 C4 ga_27
8843 N3 C4 NA4 ga_27
8844 N3 C4 C4A ga_27
8845 NA4 C4 C4A ga_27
8846 C4 NA4 HA41 ga_23
8847 C4 NA4 HA42 ga_23
8848 HA41 NA4 HA42 ga_24
8849 C4 C4A N5 ga_27
8850 C4 C4A C8A ga_27
8851 N5 C4A C8A ga_27
8852 C4A N5 C6 ga_27
8853 N5 C6 C7 ga_27
8854 N5 C6 C9 ga_27
8855 C7 C6 C9 ga_27
8856 C6 C7 N8 ga_27
8857 C7 N8 C8A ga_27
8858 N1 C8A C4A ga_27
8859 N1 C8A N8 ga_27
8860 C4A C8A N8 ga_27
8861 C6 C9 N10 ga_15
8862 C9 N10 CM10 ga_20
8863 C9 N10 C14 ga_33
8864 CM10 N10 C14 ga_23
8865 N10 C14 C13 ga_27
8866 N10 C14 C15 ga_27
8867 C13 C14 C15 ga_27
8868 C14 C13 C12 ga_27
8869 C14 C15 C16 ga_27
8870 C13 C12 C11 ga_27
8871 C15 C16 C11 ga_27
8872 C12 C11 C16 ga_27
8873 C12 C11 C ga_27
8874 C16 C11 C ga_27
8875 C11 C O ga_30
8876 C11 C N ga_19
8877 O C N ga_33
8878 C N H ga_32
8879 C N CA ga_31
8880 H N CA ga_18
8881 N CA CB ga_13
8882 N CA CT ga_13
8883 CB CA CT ga_13
8884 CA CB CG ga_15
8885 CB CG CD ga_15
8886 CG CD OE1 ga_22
8887 CG CD OE2 ga_22
8888 OE1 CD OE2 ga_38
8889 CA CT O1 ga_22
8890 CA CT O2 ga_22
8891 O1 CT O2 ga_38
8892 [ impropers ]
8893 ; ai aj ak al gromos type
8894 N1 C2 N3 C4 gi_1
8895 N1 C2 C8A HA1 gi_1
8896 C2 N1 N3 NA2 gi_1
8897 C2 N1 C8A C4A gi_1
8898 C2 N3 C4 C4A gi_1
8899 NA2 HA21 HA22 C2 gi_1
8900 N3 C4 C4A C8A gi_1
8901 C4 N3 C4A NA4 gi_1
8902 C4 C4A C8A N1 gi_1
8903 NA4 HA41 HA42 C4 gi_1
8904 C4A C4 N5 C8A gi_1
8905 C4A N5 C6 C7 gi_1
8906 N5 C4A C8A N8 gi_1
8907 N5 C6 C7 N8 gi_1
8908 C6 N5 C7 C9 gi_1
8909 C6 C7 N8 C8A gi_1
8910 C7 N8 C8A C4A gi_1
8911 C8A N1 C2 N3 gi_1
8912 C8A N1 N8 C4A gi_1
8913 C8A C4A N5 C6 gi_1
8914 N10 C9 C14 CM10 gi_1
8915 C14 C13 C15 N10 gi_1
8916 C14 C13 C12 C11 gi_1
8917 C14 C15 C16 C11 gi_1
8918 C13 C14 C15 C16 gi_1
8919 C13 C12 C11 C16 gi_1
8920 C15 C14 C13 C12 gi_1
8921 C15 C16 C11 C12 gi_1
8922 C11 C12 C16 C gi_1
8923 C C11 N O gi_1
8924 N C CA H gi_1
8925 CA N CT CB gi_2
8926 CD OE1 OE2 CG gi_1
8927 CT CA O2 O1 gi_1
8928 [ dihedrals ]
8929 ; ai aj ak al gromos type
8930 N1 C2 NA2 HA21 gd_14
8931 C4A C4 NA4 HA41 gd_14
8932 N5 C6 C9 N10 gd_40
8933 C6 C9 N10 C14 gd_39
8934 C9 N10 C14 C13 gd_14
8935 C12 C11 C N gd_10
8936 C11 C N CA gd_14
8937 C N CA CT gd_39
8938 N CA CB CG gd_34
8939 N CA CT O1 gd_40
8940 CA CB CG CD gd_34
8941 CB CG CD OE1 gd_40
8943 [ FOL ]
8944 [ atoms ]
8945 N1 NR -0.36000 0
8946 C2 C 0.36000 0
8947 NA2 NT -0.83000 1
8948 HA21 H 0.41500 1
8949 HA22 H 0.41500 1
8950 N3 NR -0.28000 2
8951 HA3 H 0.28000 2
8952 C4 C 0.38000 3
8953 OA4 O -0.38000 3
8954 C4A C 0.00000 4
8955 N5 NR -0.36000 4
8956 C6 C 0.36000 4
8957 C7 CR1 0.36000 5
8958 N8 NR -0.36000 5
8959 C8A C 0.00000 5
8960 C9 CH2 0.00000 6
8961 N10 NE -0.28000 6
8962 H10 H 0.28000 6
8963 C14 C 0.00000 7
8964 C13 CR1 0.00000 7
8965 C15 CR1 0.00000 7
8966 C12 CR1 0.00000 8
8967 C16 CR1 0.00000 8
8968 C11 C 0.00000 8
8969 C C 0.38000 9
8970 O O -0.38000 9
8971 N N -0.28000 10
8972 H H 0.28000 10
8973 CA CH1 0.00000 11
8974 CB CH2 0.00000 11
8975 CG CH2 0.00000 11
8976 CD C 0.27000 12
8977 OE1 OM -0.63500 12
8978 OE2 OM -0.63500 12
8979 CT C 0.27000 13
8980 O1 OM -0.63500 13
8981 O2 OM -0.63500 13
8982 [ bonds ]
8983 N1 C2 gb_12
8984 N1 C8A gb_12
8985 C2 NA2 gb_9
8986 C2 N3 gb_17
8987 NA2 HA21 gb_2
8988 NA2 HA22 gb_2
8989 N3 HA3 gb_2
8990 N3 C4 gb_17
8991 C4 OA4 gb_5
8992 C4 C4A gb_16
8993 C4A N5 gb_12
8994 C4A C8A gb_16
8995 N5 C6 gb_12
8996 C6 C7 gb_16
8997 C6 C9 gb_27
8998 C7 N8 gb_7
8999 N8 C8A gb_12
9000 C9 N10 gb_21
9001 N10 H10 gb_2
9002 N10 C14 gb_11
9003 C14 C13 gb_16
9004 C14 C15 gb_16
9005 C13 C12 gb_16
9006 C15 C16 gb_16
9007 C12 C11 gb_16
9008 C16 C11 gb_16
9009 C11 C gb_27
9010 C O gb_5
9011 C N gb_10
9012 N H gb_2
9013 N CA gb_21
9014 CA CB gb_27
9015 CA CT gb_27
9016 CB CG gb_27
9017 CG CD gb_27
9018 CD OE1 gb_6
9019 CD OE2 gb_6
9020 CT O1 gb_6
9021 CT O2 gb_6
9022 [ exclusions ]
9023 ; ai aj
9024 N1 HA3
9025 N1 C4
9026 N1 N5
9027 N1 C7
9028 C2 OA4
9029 C2 C4A
9030 C2 N8
9031 NA2 HA3
9032 NA2 C4
9033 NA2 C8A
9034 N3 N5
9035 N3 C8A
9036 HA3 OA4
9037 HA3 C4A
9038 C4 C6
9039 C4 N8
9040 OA4 N5
9041 OA4 C8A
9042 C4A C7
9043 C4A C9
9044 N5 N8
9045 C6 C8A
9046 N8 C9
9047 N10 C12
9048 N10 C16
9049 C14 C11
9050 C13 C16
9051 C13 C
9052 C15 C12
9053 C15 C
9054 [ angles ]
9055 ; ai aj ak gromos type
9056 C2 N1 C8A ga_27
9057 N1 C2 NA2 ga_27
9058 N1 C2 N3 ga_27
9059 NA2 C2 N3 ga_27
9060 C2 NA2 HA21 ga_23
9061 C2 NA2 HA22 ga_23
9062 HA21 NA2 HA22 ga_24
9063 C2 N3 HA3 ga_25
9064 C2 N3 C4 ga_27
9065 HA3 N3 C4 ga_25
9066 N3 C4 OA4 ga_27
9067 N3 C4 C4A ga_27
9068 OA4 C4 C4A ga_27
9069 C4 C4A N5 ga_27
9070 C4 C4A C8A ga_27
9071 N5 C4A C8A ga_27
9072 C4A N5 C6 ga_27
9073 N5 C6 C7 ga_27
9074 N5 C6 C9 ga_27
9075 C7 C6 C9 ga_27
9076 C6 C7 N8 ga_27
9077 C7 N8 C8A ga_27
9078 N1 C8A C4A ga_27
9079 N1 C8A N8 ga_27
9080 C4A C8A N8 ga_27
9081 C6 C9 N10 ga_15
9082 C9 N10 H10 ga_20
9083 C9 N10 C14 ga_33
9084 H10 N10 C14 ga_23
9085 N10 C14 C13 ga_27
9086 N10 C14 C15 ga_27
9087 C13 C14 C15 ga_27
9088 C14 C13 C12 ga_27
9089 C14 C15 C16 ga_27
9090 C13 C12 C11 ga_27
9091 C15 C16 C11 ga_27
9092 C12 C11 C16 ga_27
9093 C12 C11 C ga_27
9094 C16 C11 C ga_27
9095 C11 C O ga_30
9096 C11 C N ga_19
9097 O C N ga_33
9098 C N H ga_32
9099 C N CA ga_31
9100 H N CA ga_18
9101 N CA CB ga_13
9102 N CA CT ga_13
9103 CB CA CT ga_13
9104 CA CB CG ga_15
9105 CB CG CD ga_15
9106 CG CD OE1 ga_22
9107 CG CD OE2 ga_22
9108 OE1 CD OE2 ga_38
9109 CA CT O1 ga_22
9110 CA CT O2 ga_22
9111 O1 CT O2 ga_38
9112 [ impropers ]
9113 ; ai aj ak al gromos type
9114 N1 C2 N3 C4 gi_1
9115 C2 N1 N3 NA2 gi_1
9116 C2 N1 C8A C4A gi_1
9117 C2 N3 C4 C4A gi_1
9118 NA2 HA21 HA22 C2 gi_1
9119 N3 C2 C4 HA3 gi_1
9120 N3 C4 C4A C8A gi_1
9121 C4 N3 C4A OA4 gi_1
9122 C4 C4A C8A N1 gi_1
9123 C4A C4 N5 C8A gi_1
9124 C4A N5 C6 C7 gi_1
9125 N5 C4A C8A N8 gi_1
9126 N5 C6 C7 N8 gi_1
9127 C6 N5 C7 C9 gi_1
9128 C6 C7 N8 C8A gi_1
9129 C7 N8 C8A C4A gi_1
9130 C8A N1 C2 N3 gi_1
9131 C8A N1 N8 C4A gi_1
9132 C8A C4A N5 C6 gi_1
9133 N10 C9 C14 H10 gi_1
9134 C14 C13 C15 N10 gi_1
9135 C14 C13 C12 C11 gi_1
9136 C14 C15 C16 C11 gi_1
9137 C13 C14 C15 C16 gi_1
9138 C13 C12 C11 C16 gi_1
9139 C15 C14 C13 C12 gi_1
9140 C15 C16 C11 C12 gi_1
9141 C11 C12 C16 C gi_1
9142 C C11 N O gi_1
9143 N C CA H gi_1
9144 CA N CT CB gi_2
9145 CD OE1 OE2 CG gi_1
9146 CT CA O2 O1 gi_1
9147 [ dihedrals ]
9148 ; ai aj ak al gromos type
9149 N1 C2 NA2 HA21 gd_14
9150 N5 C6 C9 N10 gd_40
9151 C6 C9 N10 C14 gd_39
9152 C9 N10 C14 C13 gd_14
9153 C12 C11 C N gd_10
9154 C11 C N CA gd_14
9155 C N CA CT gd_39
9156 N CA CB CG gd_34
9157 N CA CT O1 gd_40
9158 CA CB CG CD gd_34
9159 CB CG CD OE1 gd_40
9161 [ DHF ]
9162 [ atoms ]
9163 N1 NR -0.36000 0
9164 C2 C 0.36000 0
9165 NA2 NT -0.83000 1
9166 HA21 H 0.41500 1
9167 HA22 H 0.41500 1
9168 N3 NR -0.28000 2
9169 HA3 H 0.28000 2
9170 C4 C 0.38000 3
9171 OA4 O -0.38000 3
9172 C4A C 0.00000 4
9173 N5 NR -0.36000 4
9174 C6 C 0.36000 4
9175 C7 CH2 0.00000 5
9176 N8 NR -0.28000 5
9177 HA8 H 0.28000 5
9178 C8A C 0.00000 5
9179 C9 CH2 0.00000 6
9180 N10 NE -0.28000 6
9181 H10 H 0.28000 6
9182 C14 C 0.00000 7
9183 C13 CR1 0.00000 7
9184 C15 CR1 0.00000 7
9185 C12 CR1 0.00000 8
9186 C16 CR1 0.00000 8
9187 C11 C 0.00000 8
9188 C C 0.38000 9
9189 O O -0.38000 9
9190 N N -0.28000 10
9191 H H 0.28000 10
9192 CA CH1 0.00000 11
9193 CB CH2 0.00000 11
9194 CG CH2 0.00000 11
9195 CD C 0.27000 12
9196 OE1 OM -0.63500 12
9197 OE2 OM -0.63500 12
9198 CT C 0.27000 13
9199 O1 OM -0.63500 13
9200 O2 OM -0.63500 13
9201 [ bonds ]
9202 N1 C2 gb_12
9203 N1 C8A gb_12
9204 C2 NA2 gb_9
9205 C2 N3 gb_17
9206 NA2 HA21 gb_2
9207 NA2 HA22 gb_2
9208 N3 HA3 gb_2
9209 N3 C4 gb_17
9210 C4 OA4 gb_5
9211 C4 C4A gb_16
9212 C4A N5 gb_12
9213 C4A C8A gb_16
9214 N5 C6 gb_12
9215 C6 C7 gb_15
9216 C6 C9 gb_27
9217 C7 N8 gb_17
9218 N8 HA8 gb_2
9219 N8 C8A gb_17
9220 C9 N10 gb_21
9221 N10 H10 gb_2
9222 N10 C14 gb_11
9223 C14 C13 gb_16
9224 C14 C15 gb_16
9225 C13 C12 gb_16
9226 C15 C16 gb_16
9227 C12 C11 gb_16
9228 C16 C11 gb_16
9229 C11 C gb_27
9230 C O gb_5
9231 C N gb_10
9232 N H gb_2
9233 N CA gb_21
9234 CA CB gb_27
9235 CA CT gb_27
9236 CB CG gb_27
9237 CG CD gb_27
9238 CD OE1 gb_6
9239 CD OE2 gb_6
9240 CT O1 gb_6
9241 CT O2 gb_6
9242 [ exclusions ]
9243 ; ai aj
9244 N1 HA3
9245 N1 C4
9246 N1 N5
9247 N1 C7
9248 N1 HA8
9249 C2 OA4
9250 C2 C4A
9251 C2 N8
9252 NA2 HA3
9253 NA2 C4
9254 NA2 C8A
9255 N3 N5
9256 N3 C8A
9257 HA3 OA4
9258 HA3 C4A
9259 C4 C6
9260 C4 N8
9261 OA4 N5
9262 OA4 C8A
9263 C4A C7
9264 C4A HA8
9265 C4A C9
9266 N5 N8
9267 C6 HA8
9268 C6 C8A
9269 N8 C9
9270 N10 C12
9271 N10 C16
9272 C14 C11
9273 C13 C16
9274 C13 C
9275 C15 C12
9276 C15 C
9277 [ angles ]
9278 ; ai aj ak gromos type
9279 C2 N1 C8A ga_27
9280 N1 C2 NA2 ga_27
9281 N1 C2 N3 ga_27
9282 NA2 C2 N3 ga_27
9283 C2 NA2 HA21 ga_23
9284 C2 NA2 HA22 ga_23
9285 HA21 NA2 HA22 ga_24
9286 C2 N3 HA3 ga_25
9287 C2 N3 C4 ga_27
9288 HA3 N3 C4 ga_25
9289 N3 C4 OA4 ga_27
9290 N3 C4 C4A ga_27
9291 OA4 C4 C4A ga_27
9292 C4 C4A N5 ga_27
9293 C4 C4A C8A ga_27
9294 N5 C4A C8A ga_27
9295 C4A N5 C6 ga_27
9296 N5 C6 C7 ga_27
9297 N5 C6 C9 ga_27
9298 C7 C6 C9 ga_27
9299 C6 C7 N8 ga_27
9300 C7 N8 HA8 ga_25
9301 C7 N8 C8A ga_27
9302 HA8 N8 C8A ga_25
9303 N1 C8A C4A ga_27
9304 N1 C8A N8 ga_27
9305 C4A C8A N8 ga_27
9306 C6 C9 N10 ga_15
9307 C9 N10 H10 ga_20
9308 C9 N10 C14 ga_33
9309 H10 N10 C14 ga_23
9310 N10 C14 C13 ga_27
9311 N10 C14 C15 ga_27
9312 C13 C14 C15 ga_27
9313 C14 C13 C12 ga_27
9314 C14 C15 C16 ga_27
9315 C13 C12 C11 ga_27
9316 C15 C16 C11 ga_27
9317 C12 C11 C16 ga_27
9318 C12 C11 C ga_27
9319 C16 C11 C ga_27
9320 C11 C O ga_30
9321 C11 C N ga_19
9322 O C N ga_33
9323 C N H ga_32
9324 C N CA ga_31
9325 H N CA ga_18
9326 N CA CB ga_13
9327 N CA CT ga_13
9328 CB CA CT ga_13
9329 CA CB CG ga_15
9330 CB CG CD ga_15
9331 CG CD OE1 ga_22
9332 CG CD OE2 ga_22
9333 OE1 CD OE2 ga_38
9334 CA CT O1 ga_22
9335 CA CT O2 ga_22
9336 O1 CT O2 ga_38
9337 [ impropers ]
9338 ; ai aj ak al gromos type
9339 N1 C2 N3 C4 gi_1
9340 C2 N1 N3 NA2 gi_1
9341 C2 N1 C8A C4A gi_1
9342 C2 N3 C4 C4A gi_1
9343 NA2 HA21 HA22 C2 gi_1
9344 N3 C2 C4 HA3 gi_1
9345 N3 C4 C4A C8A gi_1
9346 C4 N3 C4A OA4 gi_1
9347 C4 C4A C8A N1 gi_1
9348 C4A C4 N5 C8A gi_1
9349 C4A N5 C6 C7 gi_1
9350 N5 C4A C8A N8 gi_1
9351 N5 C6 C7 N8 gi_1
9352 C6 N5 C7 C9 gi_1
9353 C6 C7 N8 C8A gi_1
9354 C7 N8 C8A C4A gi_1
9355 N8 C7 C8A HA8 gi_1
9356 C8A N1 C2 N3 gi_1
9357 C8A N1 N8 C4A gi_1
9358 C8A C4A N5 C6 gi_1
9359 N10 C9 C14 H10 gi_1
9360 C14 C13 C15 N10 gi_1
9361 C14 C13 C12 C11 gi_1
9362 C14 C15 C16 C11 gi_1
9363 C13 C14 C15 C16 gi_1
9364 C13 C12 C11 C16 gi_1
9365 C15 C14 C13 C12 gi_1
9366 C15 C16 C11 C12 gi_1
9367 C11 C12 C16 C gi_1
9368 C C11 N O gi_1
9369 N C CA H gi_1
9370 CA N CT CB gi_2
9371 CD OE1 OE2 CG gi_1
9372 CT CA O2 O1 gi_1
9373 [ dihedrals ]
9374 ; ai aj ak al gromos type
9375 N1 C2 NA2 HA21 gd_14
9376 N5 C6 C9 N10 gd_40
9377 C6 C9 N10 C14 gd_39
9378 C9 N10 C14 C13 gd_14
9379 C12 C11 C N gd_10
9380 C11 C N CA gd_14
9381 C N CA CT gd_39
9382 N CA CB CG gd_34
9383 N CA CT O1 gd_40
9384 CA CB CG CD gd_34
9385 CB CG CD OE1 gd_40
9387 [ THF ]
9388 [ atoms ]
9389 N1 NR -0.36000 0
9390 C2 C 0.36000 0
9391 NA2 NT -0.83000 1
9392 HA21 H 0.41500 1
9393 HA22 H 0.41500 1
9394 N3 NR -0.28000 2
9395 HA3 H 0.28000 2
9396 C4 C 0.38000 3
9397 OA4 O -0.38000 3
9398 C4A C 0.00000 4
9399 N5 NR -0.28000 4
9400 HA5 H 0.28000 4
9401 C6 CH1 0.00000 4
9402 C7 CH2 0.00000 5
9403 N8 NR -0.28000 5
9404 HA8 H 0.28000 5
9405 C8A C 0.00000 5
9406 C9 CH2 0.00000 6
9407 N10 NE -0.28000 6
9408 H10 H 0.28000 6
9409 C14 C 0.00000 7
9410 C13 CR1 0.00000 7
9411 C15 CR1 0.00000 7
9412 C12 CR1 0.00000 8
9413 C16 CR1 0.00000 8
9414 C11 C 0.00000 8
9415 C C 0.38000 9
9416 O O -0.38000 9
9417 N N -0.28000 10
9418 H H 0.28000 10
9419 CA CH1 0.00000 11
9420 CB CH2 0.00000 11
9421 CG CH2 0.00000 11
9422 CD C 0.27000 12
9423 OE1 OM -0.63500 12
9424 OE2 OM -0.63500 12
9425 CT C 0.27000 13
9426 O1 OM -0.63500 13
9427 O2 OM -0.63500 13
9428 [ bonds ]
9429 N1 C2 gb_12
9430 N1 C8A gb_12
9431 C2 NA2 gb_9
9432 C2 N3 gb_17
9433 NA2 HA21 gb_2
9434 NA2 HA22 gb_2
9435 N3 HA3 gb_2
9436 N3 C4 gb_17
9437 C4 OA4 gb_5
9438 C4 C4A gb_16
9439 C4A N5 gb_17
9440 C4A C8A gb_16
9441 N5 HA5 gb_2
9442 N5 C6 gb_23
9443 C6 C7 gb_26
9444 C6 C9 gb_27
9445 C7 N8 gb_23
9446 N8 HA8 gb_2
9447 N8 C8A gb_17
9448 C9 N10 gb_21
9449 N10 H10 gb_2
9450 N10 C14 gb_11
9451 C14 C13 gb_16
9452 C14 C15 gb_16
9453 C13 C12 gb_16
9454 C15 C16 gb_16
9455 C12 C11 gb_16
9456 C16 C11 gb_16
9457 C11 C gb_27
9458 C O gb_5
9459 C N gb_10
9460 N H gb_2
9461 N CA gb_21
9462 CA CB gb_27
9463 CA CT gb_27
9464 CB CG gb_27
9465 CG CD gb_27
9466 CD OE1 gb_6
9467 CD OE2 gb_6
9468 CT O1 gb_6
9469 CT O2 gb_6
9470 [ exclusions ]
9471 ; ai aj
9472 N1 HA3
9473 N1 C4
9474 N1 N5
9475 C2 OA4
9476 C2 C4A
9477 C2 N8
9478 NA2 HA3
9479 NA2 C4
9480 NA2 C8A
9481 N3 N5
9482 N3 C8A
9483 HA3 OA4
9484 HA3 C4A
9485 C4 N8
9486 OA4 N5
9487 OA4 C8A
9488 N10 C12
9489 N10 C16
9490 C14 C11
9491 C13 C16
9492 C13 C
9493 C15 C12
9494 C15 C
9495 [ angles ]
9496 ; ai aj ak gromos type
9497 C2 N1 C8A ga_27
9498 N1 C2 NA2 ga_27
9499 N1 C2 N3 ga_27
9500 NA2 C2 N3 ga_27
9501 C2 NA2 HA21 ga_23
9502 C2 NA2 HA22 ga_23
9503 HA21 NA2 HA22 ga_24
9504 C2 N3 HA3 ga_25
9505 C2 N3 C4 ga_27
9506 HA3 N3 C4 ga_25
9507 N3 C4 OA4 ga_27
9508 N3 C4 C4A ga_27
9509 OA4 C4 C4A ga_27
9510 C4 C4A N5 ga_27
9511 C4 C4A C8A ga_27
9512 N5 C4A C8A ga_27
9513 C4A N5 HA5 ga_25
9514 C4A N5 C6 ga_27
9515 HA5 N5 C6 ga_25
9516 N5 C6 C7 ga_8
9517 N5 C6 C9 ga_8
9518 C7 C6 C9 ga_8
9519 C6 C7 N8 ga_8
9520 C7 N8 HA8 ga_25
9521 C7 N8 C8A ga_27
9522 HA8 N8 C8A ga_25
9523 N1 C8A C4A ga_27
9524 N1 C8A N8 ga_27
9525 C4A C8A N8 ga_27
9526 C6 C9 N10 ga_15
9527 C9 N10 H10 ga_20
9528 C9 N10 C14 ga_33
9529 H10 N10 C14 ga_23
9530 N10 C14 C13 ga_27
9531 N10 C14 C15 ga_27
9532 C13 C14 C15 ga_27
9533 C14 C13 C12 ga_27
9534 C14 C15 C16 ga_27
9535 C13 C12 C11 ga_27
9536 C15 C16 C11 ga_27
9537 C12 C11 C16 ga_27
9538 C12 C11 C ga_27
9539 C16 C11 C ga_27
9540 C11 C O ga_30
9541 C11 C N ga_19
9542 O C N ga_33
9543 C N H ga_32
9544 C N CA ga_31
9545 H N CA ga_18
9546 N CA CB ga_13
9547 N CA CT ga_13
9548 CB CA CT ga_13
9549 CA CB CG ga_15
9550 CB CG CD ga_15
9551 CG CD OE1 ga_22
9552 CG CD OE2 ga_22
9553 OE1 CD OE2 ga_38
9554 CA CT O1 ga_22
9555 CA CT O2 ga_22
9556 O1 CT O2 ga_38
9557 [ impropers ]
9558 ; ai aj ak al gromos type
9559 N1 C2 N3 C4 gi_1
9560 C2 N1 N3 NA2 gi_1
9561 C2 N1 C8A C4A gi_1
9562 C2 N3 C4 C4A gi_1
9563 NA2 HA21 HA22 C2 gi_1
9564 N3 C2 C4 HA3 gi_1
9565 N3 C4 C4A C8A gi_1
9566 C4 N3 C4A OA4 gi_1
9567 C4 C4A C8A N1 gi_1
9568 C4A C4 N5 C8A gi_1
9569 C4A N5 C6 C7 gi_1
9570 N5 C4A C6 HA5 gi_1
9571 N5 C4A C8A N8 gi_1
9572 N5 C6 C7 N8 gi_1
9573 C6 N5 C7 C9 gi_1
9574 C6 C7 N8 C8A gi_1
9575 C7 N8 C8A C4A gi_1
9576 N8 C7 C8A HA8 gi_1
9577 C8A N1 C2 N3 gi_1
9578 C8A N1 N8 C4A gi_1
9579 C8A C4A N5 C6 gi_1
9580 N10 C9 C14 H10 gi_1
9581 C14 C13 C15 N10 gi_1
9582 C14 C13 C12 C11 gi_1
9583 C14 C15 C16 C11 gi_1
9584 C13 C14 C15 C16 gi_1
9585 C13 C12 C11 C16 gi_1
9586 C15 C14 C13 C12 gi_1
9587 C15 C16 C11 C12 gi_1
9588 C11 C12 C16 C gi_1
9589 C C11 N O gi_1
9590 N C CA H gi_1
9591 CA N CT CB gi_2
9592 CD OE1 OE2 CG gi_1
9593 CT CA O2 O1 gi_1
9594 [ dihedrals ]
9595 ; ai aj ak al gromos type
9596 N1 C2 NA2 HA21 gd_14
9597 N5 C6 C9 N10 gd_40
9598 C6 C9 N10 C14 gd_39
9599 C9 N10 C14 C13 gd_14
9600 C12 C11 C N gd_10
9601 C11 C N CA gd_14
9602 C N CA CT gd_39
9603 N CA CB CG gd_34
9604 N CA CT O1 gd_40
9605 CA CB CG CD gd_34
9606 CB CG CD OE1 gd_40
9608 [ TMP ]
9609 [ atoms ]
9610 N1 NR -0.36000 0
9611 C2 C 0.36000 0
9612 NA2 NT -0.83000 1
9613 HA21 H 0.41500 1
9614 HA22 H 0.41500 1
9615 N3 NR -0.36000 2
9616 C4 C 0.36000 2
9617 NA4 NT -0.83000 3
9618 HA41 H 0.41500 3
9619 HA42 H 0.41500 3
9620 C5 C 0.00000 4
9621 C6 CR1 0.00000 4
9622 C7 CH2 0.00000 4
9623 C11 C 0.00000 5
9624 C12 CR1 0.00000 5
9625 C16 CR1 0.00000 5
9626 C13 C 0.18000 6
9627 O13 OA -0.36000 6
9628 CM13 CH3 0.18000 6
9629 C15 C 0.18000 7
9630 O15 OA -0.36000 7
9631 CM15 CH3 0.18000 7
9632 C14 C 0.18000 8
9633 O14 OA -0.36000 8
9634 CM14 CH3 0.18000 8
9635 [ bonds ]
9636 N1 C2 gb_12
9637 N1 C6 gb_7
9638 C2 NA2 gb_9
9639 C2 N3 gb_12
9640 NA2 HA21 gb_2
9641 NA2 HA22 gb_2
9642 N3 C4 gb_12
9643 C4 NA4 gb_9
9644 C4 C5 gb_16
9645 NA4 HA41 gb_2
9646 NA4 HA42 gb_2
9647 C5 C6 gb_16
9648 C5 C7 gb_27
9649 C7 C11 gb_27
9650 C11 C12 gb_16
9651 C11 C16 gb_16
9652 C12 C13 gb_16
9653 C16 C15 gb_16
9654 C13 O13 gb_13
9655 C13 C14 gb_16
9656 O13 CM13 gb_18
9657 C15 O15 gb_13
9658 C15 C14 gb_16
9659 O15 CM15 gb_18
9660 C14 O14 gb_13
9661 O14 CM14 gb_18
9662 [ exclusions ]
9663 ; ai aj
9664 N1 C4
9665 N1 C7
9666 C2 NA4
9667 C2 C5
9668 NA2 C4
9669 NA2 C6
9670 N3 C6
9671 N3 C7
9672 C7 C13
9673 C7 C15
9674 C11 O13
9675 C11 O15
9676 C11 C14
9677 C12 C15
9678 C12 O14
9679 C16 C13
9680 C16 O14
9681 C13 O15
9682 O13 C15
9683 O13 O14
9684 O15 O14
9685 [ angles ]
9686 ; ai aj ak gromos type
9687 C2 N1 C6 ga_27
9688 N1 C2 NA2 ga_27
9689 N1 C2 N3 ga_27
9690 NA2 C2 N3 ga_27
9691 C2 NA2 HA21 ga_23
9692 C2 NA2 HA22 ga_23
9693 HA21 NA2 HA22 ga_24
9694 C2 N3 C4 ga_27
9695 N3 C4 NA4 ga_27
9696 N3 C4 C5 ga_27
9697 NA4 C4 C5 ga_27
9698 C4 NA4 HA41 ga_23
9699 C4 NA4 HA42 ga_23
9700 HA41 NA4 HA42 ga_24
9701 C4 C5 C6 ga_27
9702 C4 C5 C7 ga_27
9703 C6 C5 C7 ga_27
9704 N1 C6 C5 ga_27
9705 C5 C7 C11 ga_15
9706 C7 C11 C12 ga_27
9707 C7 C11 C16 ga_27
9708 C12 C11 C16 ga_27
9709 C11 C12 C13 ga_27
9710 C11 C16 C15 ga_27
9711 C12 C13 O13 ga_27
9712 C12 C13 C14 ga_27
9713 O13 C13 C14 ga_27
9714 C13 O13 CM13 ga_20
9715 C16 C15 O15 ga_27
9716 C16 C15 C14 ga_27
9717 O15 C15 C14 ga_27
9718 C15 O15 CM15 ga_20
9719 C13 C14 C15 ga_27
9720 C13 C14 O14 ga_27
9721 C15 C14 O14 ga_27
9722 C14 O14 CM14 ga_20
9723 [ impropers ]
9724 ; ai aj ak al gromos type
9725 N1 C2 N3 C4 gi_1
9726 C2 N1 N3 NA2 gi_1
9727 C2 N1 C6 C5 gi_1
9728 C2 N3 C4 C5 gi_1
9729 NA2 HA21 HA22 C2 gi_1
9730 N3 C4 C5 C6 gi_1
9731 C4 N3 C5 NA4 gi_1
9732 C4 C5 C6 N1 gi_1
9733 NA4 HA41 HA42 C4 gi_1
9734 C5 C4 C6 C7 gi_1
9735 C6 N1 C2 N3 gi_1
9736 C11 C12 C16 C7 gi_1
9737 C11 C12 C13 C14 gi_1
9738 C11 C16 C15 C14 gi_1
9739 C12 C11 C16 C15 gi_1
9740 C12 C13 C14 C15 gi_1
9741 C16 C11 C12 C13 gi_1
9742 C16 C15 C14 C13 gi_1
9743 C13 C12 O13 C14 gi_1
9744 C15 C16 O15 C14 gi_1
9745 C14 C13 O14 C15 gi_1
9746 [ dihedrals ]
9747 ; ai aj ak al gromos type
9748 N1 C2 NA2 HA21 gd_14
9749 C5 C4 NA4 HA41 gd_14
9750 C4 C5 C7 C11 gd_40
9751 C5 C7 C11 C12 gd_40
9752 C12 C13 O13 CM13 gd_11
9753 C12 C13 O13 CM13 gd_12
9754 C16 C15 O15 CM15 gd_11
9755 C16 C15 O15 CM15 gd_12
9756 C13 C14 O14 CM14 gd_11
9758 [ TMPH ]
9759 [ atoms ]
9760 N1 NR -0.28000 0
9761 HA1 H 0.28000 0
9762 C2 C 0.00000 0
9763 NA2 NT -0.83000 1
9764 HA21 H 0.41500 1
9765 HA22 H 0.41500 1
9766 N3 NR -0.36000 2
9767 C4 C 0.36000 2
9768 NA4 NT -0.83000 3
9769 HA41 H 0.41500 3
9770 HA42 H 0.41500 3
9771 C5 C 0.00000 4
9772 C6 CR1 0.00000 4
9773 C7 CH2 0.00000 4
9774 C11 C 0.00000 5
9775 C12 CR1 0.00000 5
9776 C16 CR1 0.00000 5
9777 C13 C 0.18000 6
9778 O13 OA -0.36000 6
9779 CM13 CH3 0.18000 6
9780 C15 C 0.18000 7
9781 O15 OA -0.36000 7
9782 CM15 CH3 0.18000 7
9783 C14 C 0.18000 8
9784 O14 OA -0.36000 8
9785 CM14 CH3 0.18000 8
9786 [ bonds ]
9787 N1 HA1 gb_2
9788 N1 C2 gb_17
9789 N1 C6 gb_17
9790 C2 NA2 gb_9
9791 C2 N3 gb_12
9792 NA2 HA21 gb_2
9793 NA2 HA22 gb_2
9794 N3 C4 gb_12
9795 C4 NA4 gb_9
9796 C4 C5 gb_16
9797 NA4 HA41 gb_2
9798 NA4 HA42 gb_2
9799 C5 C6 gb_16
9800 C5 C7 gb_27
9801 C7 C11 gb_27
9802 C11 C12 gb_16
9803 C11 C16 gb_16
9804 C12 C13 gb_16
9805 C16 C15 gb_16
9806 C13 O13 gb_13
9807 C13 C14 gb_16
9808 O13 CM13 gb_18
9809 C15 O15 gb_13
9810 C15 C14 gb_16
9811 O15 CM15 gb_18
9812 C14 O14 gb_13
9813 O14 CM14 gb_18
9814 [ exclusions ]
9815 ; ai aj
9816 N1 C4
9817 N1 C7
9818 HA1 NA2
9819 HA1 N3
9820 HA1 C5
9821 C2 NA4
9822 C2 C5
9823 NA2 C4
9824 NA2 C6
9825 N3 C6
9826 N3 C7
9827 NA4 C6
9828 NA4 C7
9829 C7 C13
9830 C7 C15
9831 C11 O13
9832 C11 O15
9833 C11 C14
9834 C12 C15
9835 C12 O14
9836 C16 C13
9837 C16 O14
9838 C13 O15
9839 O13 C15
9840 O13 O14
9841 O15 O14
9842 [ angles ]
9843 ; ai aj ak gromos type
9844 HA1 N1 C2 ga_25
9845 HA1 N1 C6 ga_25
9846 C2 N1 C6 ga_27
9847 N1 C2 NA2 ga_27
9848 N1 C2 N3 ga_27
9849 NA2 C2 N3 ga_27
9850 C2 NA2 HA21 ga_23
9851 C2 NA2 HA22 ga_23
9852 HA21 NA2 HA22 ga_24
9853 C2 N3 C4 ga_27
9854 N3 C4 NA4 ga_27
9855 N3 C4 C5 ga_27
9856 NA4 C4 C5 ga_27
9857 C4 NA4 HA41 ga_23
9858 C4 NA4 HA42 ga_23
9859 HA41 NA4 HA42 ga_24
9860 C4 C5 C6 ga_27
9861 C4 C5 C7 ga_27
9862 C6 C5 C7 ga_27
9863 N1 C6 C5 ga_27
9864 C5 C7 C11 ga_15
9865 C7 C11 C12 ga_27
9866 C7 C11 C16 ga_27
9867 C12 C11 C16 ga_27
9868 C11 C12 C13 ga_27
9869 C11 C16 C15 ga_27
9870 C12 C13 O13 ga_27
9871 C12 C13 C14 ga_27
9872 O13 C13 C14 ga_27
9873 C13 O13 CM13 ga_20
9874 C16 C15 O15 ga_27
9875 C16 C15 C14 ga_27
9876 O15 C15 C14 ga_27
9877 C15 O15 CM15 ga_20
9878 C13 C14 C15 ga_27
9879 C13 C14 O14 ga_27
9880 C15 C14 O14 ga_27
9881 C14 O14 CM14 ga_20
9882 [ impropers ]
9883 ; ai aj ak al gromos type
9884 N1 C2 N3 C4 gi_1
9885 N1 C2 C6 HA1 gi_1
9886 C2 N1 N3 NA2 gi_1
9887 C2 N1 C6 C5 gi_1
9888 C2 N3 C4 C5 gi_1
9889 NA2 HA21 HA22 C2 gi_1
9890 N3 C4 C5 C6 gi_1
9891 C4 N3 C5 NA4 gi_1
9892 C4 C5 C6 N1 gi_1
9893 NA4 HA41 HA42 C4 gi_1
9894 C5 C4 C6 C7 gi_1
9895 C6 N1 C2 N3 gi_1
9896 C11 C12 C16 C7 gi_1
9897 C11 C12 C13 C14 gi_1
9898 C11 C16 C15 C14 gi_1
9899 C12 C11 C16 C15 gi_1
9900 C12 C13 C14 C15 gi_1
9901 C16 C11 C12 C13 gi_1
9902 C16 C15 C14 C13 gi_1
9903 C13 C12 O13 C14 gi_1
9904 C15 C16 O15 C14 gi_1
9905 C14 C13 O14 C15 gi_1
9906 [ dihedrals ]
9907 ; ai aj ak al gromos type
9908 N1 C2 NA2 HA21 gd_14
9909 C5 C4 NA4 HA41 gd_14
9910 C4 C5 C7 C11 gd_40
9911 C5 C7 C11 C12 gd_40
9912 C12 C13 O13 CM13 gd_11
9913 C12 C13 O13 CM13 gd_12
9914 C16 C15 O15 CM15 gd_11
9915 C16 C15 O15 CM15 gd_12
9916 C13 C14 O14 CM14 gd_11
9918 [ TMPHP ]
9919 [ atoms ]
9920 N1 NR -0.36000 0
9921 HA1 H 0.36000 0
9922 C2 C 0.60000 0
9923 NA2 NT -0.73000 1
9924 HA21 H 0.41500 1
9925 HA22 H 0.41500 1
9926 N3 NR -0.36000 2
9927 C4 C 0.36000 2
9928 NA4 NT -0.83000 3
9929 HA41 H 0.41500 3
9930 HA42 H 0.41500 3
9931 C5 C 0.10000 4
9932 C6 CR1 0.20000 4
9933 C7 CH2 0.00000 4
9934 C11 C 0.00000 5
9935 C12 CR1 0.00000 5
9936 C16 CR1 0.00000 5
9937 C13 C 0.18000 6
9938 O13 OA -0.36000 6
9939 CM13 CH3 0.18000 6
9940 C15 C 0.18000 7
9941 O15 OA -0.36000 7
9942 CM15 CH3 0.18000 7
9943 C14 C 0.18000 8
9944 O14 OA -0.36000 8
9945 CM14 CH3 0.18000 8
9946 [ bonds ]
9947 N1 HA1 gb_2
9948 N1 C2 gb_17
9949 N1 C6 gb_17
9950 C2 NA2 gb_9
9951 C2 N3 gb_12
9952 NA2 HA21 gb_2
9953 NA2 HA22 gb_2
9954 N3 C4 gb_12
9955 C4 NA4 gb_9
9956 C4 C5 gb_16
9957 NA4 HA41 gb_2
9958 NA4 HA42 gb_2
9959 C5 C6 gb_16
9960 C5 C7 gb_27
9961 C7 C11 gb_27
9962 C11 C12 gb_16
9963 C11 C16 gb_16
9964 C12 C13 gb_16
9965 C16 C15 gb_16
9966 C13 O13 gb_13
9967 C13 C14 gb_16
9968 O13 CM13 gb_18
9969 C15 O15 gb_13
9970 C15 C14 gb_16
9971 O15 CM15 gb_18
9972 C14 O14 gb_13
9973 O14 CM14 gb_18
9974 [ exclusions ]
9975 ; ai aj
9976 N1 C4
9977 N1 C7
9978 HA1 NA2
9979 HA1 N3
9980 HA1 C5
9981 C2 NA4
9982 C2 C5
9983 NA2 C4
9984 NA2 C6
9985 N3 C6
9986 N3 C7
9987 NA4 C6
9988 NA4 C7
9989 C7 C13
9990 C7 C15
9991 C11 O13
9992 C11 O15
9993 C11 C14
9994 C12 C15
9995 C12 O14
9996 C16 C13
9997 C16 O14
9998 C13 O15
9999 O13 C15
10000 O13 O14
10001 O15 O14
10002 [ angles ]
10003 ; ai aj ak gromos type
10004 HA1 N1 C2 ga_25
10005 HA1 N1 C6 ga_25
10006 C2 N1 C6 ga_27
10007 N1 C2 NA2 ga_27
10008 N1 C2 N3 ga_27
10009 NA2 C2 N3 ga_27
10010 C2 NA2 HA21 ga_23
10011 C2 NA2 HA22 ga_23
10012 HA21 NA2 HA22 ga_24
10013 C2 N3 C4 ga_27
10014 N3 C4 NA4 ga_27
10015 N3 C4 C5 ga_27
10016 NA4 C4 C5 ga_27
10017 C4 NA4 HA41 ga_23
10018 C4 NA4 HA42 ga_23
10019 HA41 NA4 HA42 ga_24
10020 C4 C5 C6 ga_27
10021 C4 C5 C7 ga_27
10022 C6 C5 C7 ga_27
10023 N1 C6 C5 ga_27
10024 C5 C7 C11 ga_15
10025 C7 C11 C12 ga_27
10026 C7 C11 C16 ga_27
10027 C12 C11 C16 ga_27
10028 C11 C12 C13 ga_27
10029 C11 C16 C15 ga_27
10030 C12 C13 O13 ga_27
10031 C12 C13 C14 ga_27
10032 O13 C13 C14 ga_27
10033 C13 O13 CM13 ga_20
10034 C16 C15 O15 ga_27
10035 C16 C15 C14 ga_27
10036 O15 C15 C14 ga_27
10037 C15 O15 CM15 ga_20
10038 C13 C14 C15 ga_27
10039 C13 C14 O14 ga_27
10040 C15 C14 O14 ga_27
10041 C14 O14 CM14 ga_20
10042 [ impropers ]
10043 ; ai aj ak al gromos type
10044 N1 C2 N3 C4 gi_1
10045 N1 C2 C6 HA1 gi_1
10046 C2 N1 N3 NA2 gi_1
10047 C2 N1 C6 C5 gi_1
10048 C2 N3 C4 C5 gi_1
10049 NA2 HA21 HA22 C2 gi_1
10050 N3 C4 C5 C6 gi_1
10051 C4 N3 C5 NA4 gi_1
10052 C4 C5 C6 N1 gi_1
10053 NA4 HA41 HA42 C4 gi_1
10054 C5 C4 C6 C7 gi_1
10055 C6 N1 C2 N3 gi_1
10056 C11 C12 C16 C7 gi_1
10057 C11 C12 C13 C14 gi_1
10058 C11 C16 C15 C14 gi_1
10059 C12 C11 C16 C15 gi_1
10060 C12 C13 C14 C15 gi_1
10061 C16 C11 C12 C13 gi_1
10062 C16 C15 C14 C13 gi_1
10063 C13 C12 O13 C14 gi_1
10064 C15 C16 O15 C14 gi_1
10065 C14 C13 O14 C15 gi_1
10066 [ dihedrals ]
10067 ; ai aj ak al gromos type
10068 N1 C2 NA2 HA21 gd_14
10069 C5 C4 NA4 HA41 gd_14
10070 C4 C5 C7 C11 gd_40
10071 C5 C7 C11 C12 gd_40
10072 C12 C13 O13 CM13 gd_11
10073 C12 C13 O13 CM13 gd_12
10074 C16 C15 O15 CM15 gd_11
10075 C16 C15 O15 CM15 gd_12
10076 C13 C14 O14 CM14 gd_11
10078 [ PDG ]
10079 [ atoms ]
10080 P P 0.63000 0
10081 O1P OM -0.63500 0
10082 O2P OM -0.63500 0
10083 O3P OA -0.54800 0
10084 H3P H 0.39800 0
10085 O4P OA -0.36000 0
10086 C1 CH2 0.15000 0
10087 C2 CH1 0.15000 1
10088 O2 OA -0.54800 1
10089 H2 H 0.39800 1
10090 C3 C 0.27000 2
10091 OT1 OM -0.63500 2
10092 OT2 OM -0.63500 2
10093 [ bonds ]
10094 P O1P gb_24
10095 P O2P gb_24
10096 P O3P gb_28
10097 P O4P gb_28
10098 O3P H3P gb_1
10099 O4P C1 gb_18
10100 C1 C2 gb_27
10101 C2 O2 gb_18
10102 C2 C3 gb_27
10103 O2 H2 gb_1
10104 C3 OT1 gb_6
10105 C3 OT2 gb_6
10106 [ exclusions ]
10107 ; ai aj
10108 O1P H3P
10109 O2P H3P
10110 H3P O4P
10111 [ angles ]
10112 ; ai aj ak gromos type
10113 O1P P O2P ga_29
10114 O1P P O3P ga_14
10115 O1P P O4P ga_14
10116 O2P P O3P ga_14
10117 O2P P O4P ga_14
10118 O3P P O4P ga_5
10119 P O3P H3P ga_12
10120 P O4P C1 ga_26
10121 O4P C1 C2 ga_15
10122 C1 C2 O2 ga_15
10123 C1 C2 C3 ga_13
10124 O2 C2 C3 ga_13
10125 C2 O2 H2 ga_12
10126 C2 C3 OT1 ga_22
10127 C2 C3 OT2 ga_22
10128 OT1 C3 OT2 ga_38
10129 [ impropers ]
10130 ; ai aj ak al gromos type
10131 C2 C1 C3 O2 gi_2
10132 C3 C2 OT2 OT1 gi_1
10133 [ dihedrals ]
10134 ; ai aj ak al gromos type
10135 O4P P O3P H3P gd_19
10136 O4P P O3P H3P gd_22
10137 O3P P O4P C1 gd_19
10138 O3P P O4P C1 gd_22
10139 P O4P C1 C2 gd_29
10140 O4P C1 C2 C3 gd_34
10141 C1 C2 O2 H2 gd_23
10142 C1 C2 C3 OT1 gd_40
10144 [ ATP ]
10145 [ atoms ]
10146 AN9 NR -0.20000 0
10147 AC4 C 0.20000 0
10148 AN3 NR -0.36000 1
10149 AC2 CR1 0.36000 1
10150 AN1 NR -0.36000 2
10151 AC6 C 0.36000 2
10152 AN6 NT -0.83000 3
10153 AH61 H 0.41500 3
10154 AH62 H 0.41500 3
10155 AC5 C 0.00000 4
10156 AN7 NR -0.36000 4
10157 AC8 CR1 0.36000 4
10158 AC1* CH1 0.20000 5
10159 AO4* OA -0.36000 5
10160 AC4* CH1 0.16000 5
10161 AC2* CH1 0.15000 6
10162 AO2* OA -0.54800 6
10163 AH2* H 0.39800 6
10164 AC3* CH1 0.15000 7
10165 AO3* OA -0.54800 7
10166 AH3* H 0.39800 7
10167 AC5* CH2 0.00000 8
10168 AO5* OA -0.36000 9
10169 APA P 0.70500 9
10170 AO1PA OM -0.63500 9
10171 AO2PA OM -0.63500 9
10172 AO3PA OA -0.36000 10
10173 APB P 0.70500 10
10174 AO1PB OM -0.63500 10
10175 AO2PB OM -0.63500 10
10176 AO3PB OA -0.36000 11
10177 APG P 0.63000 11
10178 AO1PG OM -0.63500 11
10179 AO2PG OM -0.63500 11
10180 AO3PG OA -0.54800 11
10181 AH3PG H 0.39800 11
10182 [ bonds ]
10183 AN9 AC4 gb_10
10184 AN9 AC8 gb_10
10185 AN9 AC1* gb_22
10186 AC4 AN3 gb_12
10187 AC4 AC5 gb_16
10188 AN3 AC2 gb_7
10189 AC2 AN1 gb_7
10190 AN1 AC6 gb_12
10191 AC6 AN6 gb_9
10192 AC6 AC5 gb_16
10193 AN6 AH61 gb_2
10194 AN6 AH62 gb_2
10195 AC5 AN7 gb_10
10196 AN7 AC8 gb_10
10197 AC1* AO4* gb_20
10198 AC1* AC2* gb_26
10199 AO4* AC4* gb_20
10200 AC4* AC3* gb_26
10201 AC4* AC5* gb_26
10202 AC2* AO2* gb_20
10203 AC2* AC3* gb_26
10204 AO2* AH2* gb_1
10205 AC3* AO3* gb_20
10206 AO3* AH3* gb_1
10207 AC5* AO5* gb_20
10208 AO5* APA gb_28
10209 APA AO1PA gb_24
10210 APA AO2PA gb_24
10211 APA AO3PA gb_28
10212 AO3PA APB gb_28
10213 APB AO1PB gb_24
10214 APB AO2PB gb_24
10215 APB AO3PB gb_28
10216 AO3PB APG gb_28
10217 APG AO1PG gb_24
10218 APG AO2PG gb_24
10219 APG AO3PG gb_28
10220 AO3PG AH3PG gb_1
10221 [ exclusions ]
10222 ; ai aj
10223 AN9 AC2
10224 AN9 AC6
10225 AC4 AN1
10226 AC4 AN6
10227 AN3 AC6
10228 AN3 AN7
10229 AN3 AC8
10230 AN3 AC1*
10231 AC2 AN6
10232 AC2 AC5
10233 AN1 AN7
10234 AC6 AC8
10235 AC5 AC1*
10236 AN7 AC1*
10237 AO3PB AH3PG
10238 AO1PG AH3PG
10239 AO2PG AH3PG
10240 [ angles ]
10241 ; ai aj ak gromos type
10242 AC4 AN9 AC8 ga_7
10243 AC4 AN9 AC1* ga_37
10244 AC8 AN9 AC1* ga_37
10245 AN9 AC4 AN3 ga_39
10246 AN9 AC4 AC5 ga_7
10247 AN3 AC4 AC5 ga_27
10248 AC4 AN3 AC2 ga_27
10249 AN3 AC2 AN1 ga_27
10250 AC2 AN1 AC6 ga_27
10251 AN1 AC6 AN6 ga_27
10252 AN1 AC6 AC5 ga_27
10253 AN6 AC6 AC5 ga_27
10254 AC6 AN6 AH61 ga_23
10255 AC6 AN6 AH62 ga_23
10256 AH61 AN6 AH62 ga_24
10257 AC4 AC5 AC6 ga_27
10258 AC4 AC5 AN7 ga_7
10259 AC6 AC5 AN7 ga_39
10260 AC5 AN7 AC8 ga_7
10261 AN9 AC8 AN7 ga_7
10262 AN9 AC1* AO4* ga_9
10263 AN9 AC1* AC2* ga_9
10264 AO4* AC1* AC2* ga_9
10265 AC1* AO4* AC4* ga_10
10266 AO4* AC4* AC3* ga_9
10267 AO4* AC4* AC5* ga_9
10268 AC3* AC4* AC5* ga_8
10269 AC1* AC2* AO2* ga_9
10270 AC1* AC2* AC3* ga_8
10271 AO2* AC2* AC3* ga_9
10272 AC2* AO2* AH2* ga_12
10273 AC4* AC3* AC2* ga_8
10274 AC4* AC3* AO3* ga_9
10275 AC2* AC3* AO3* ga_9
10276 AC3* AO3* AH3* ga_12
10277 AC4* AC5* AO5* ga_9
10278 AC5* AO5* APA ga_26
10279 AO5* APA AO1PA ga_14
10280 AO5* APA AO2PA ga_14
10281 AO5* APA AO3PA ga_5
10282 AO1PA APA AO2PA ga_29
10283 AO1PA APA AO3PA ga_14
10284 AO2PA APA AO3PA ga_14
10285 APA AO3PA APB ga_26
10286 AO3PA APB AO1PB ga_14
10287 AO3PA APB AO2PB ga_14
10288 AO3PA APB AO3PB ga_5
10289 AO1PB APB AO2PB ga_29
10290 AO1PB APB AO3PB ga_14
10291 AO2PB APB AO3PB ga_14
10292 APB AO3PB APG ga_26
10293 AO3PB APG AO1PG ga_14
10294 AO3PB APG AO2PG ga_14
10295 AO3PB APG AO3PG ga_5
10296 AO1PG APG AO2PG ga_29
10297 AO1PG APG AO3PG ga_14
10298 AO2PG APG AO3PG ga_14
10299 APG AO3PG AH3PG ga_12
10300 [ impropers ]
10301 ; ai aj ak al gromos type
10302 AN9 AC4 AC5 AN7 gi_1
10303 AC4 AN9 AN3 AC5 gi_1
10304 AC4 AN9 AC8 AN7 gi_1
10305 AC4 AN3 AC2 AN1 gi_1
10306 AC4 AC5 AN7 AC8 gi_1
10307 AN3 AC4 AC5 AC6 gi_1
10308 AN3 AC2 AN1 AC6 gi_1
10309 AC2 AN1 AC6 AC5 gi_1
10310 AN1 AC6 AC5 AC4 gi_1
10311 AN6 AN1 AC5 AC6 gi_1
10312 AN6 AH61 AH62 AC6 gi_1
10313 AC5 AC4 AN3 AC2 gi_1
10314 AC5 AC6 AN7 AC4 gi_1
10315 AC5 AN7 AC8 AN9 gi_1
10316 AC8 AN9 AC4 AC5 gi_1
10317 AC1* AN9 AO4* AC2* gi_2
10318 AC1* AC4 AC8 AN9 gi_1
10319 AC4* AO4* AC5* AC3* gi_2
10320 AC2* AO2* AC3* AC1* gi_2
10321 AC3* AC2* AO3* AC4* gi_2
10322 [ dihedrals ]
10323 ; ai aj ak al gromos type
10324 AC4 AN9 AC1* AO4* gd_16
10325 AC5 AC6 AN6 AH61 gd_14
10326 AC2* AC1* AO4* AC4* gd_29
10327 AN9 AC1* AC2* AO2* gd_17
10328 AO4* AC1* AC2* AO2* gd_18
10329 AO4* AC1* AC2* AC3* gd_17
10330 AO4* AC1* AC2* AC3* gd_34
10331 AC1* AO4* AC4* AC3* gd_29
10332 AO4* AC4* AC3* AC2* gd_17
10333 AO4* AC4* AC3* AO3* gd_18
10334 AC5* AC4* AC3* AC2* gd_34
10335 AC5* AC4* AC3* AO3* gd_17
10336 AO4* AC4* AC5* AO5* gd_18
10337 AC3* AC4* AC5* AO5* gd_17
10338 AC3* AC4* AC5* AO5* gd_34
10339 AC1* AC2* AO2* AH2* gd_23
10340 AC1* AC2* AC3* AC4* gd_34
10341 AC1* AC2* AC3* AO3* gd_17
10342 AO2* AC2* AC3* AC4* gd_17
10343 AO2* AC2* AC3* AO3* gd_18
10344 AC4* AC3* AO3* AH3* gd_23
10345 AC4* AC5* AO5* APA gd_29
10346 AC5* AO5* APA AO3PA gd_19
10347 AC5* AO5* APA AO3PA gd_22
10348 AO5* APA AO3PA APB gd_19
10349 AO5* APA AO3PA APB gd_22
10350 APA AO3PA APB AO3PB gd_19
10351 APA AO3PA APB AO3PB gd_22
10352 AO3PA APB AO3PB APG gd_19
10353 AO3PA APB AO3PB APG gd_22
10354 APB AO3PB APG AO3PG gd_19
10355 APB AO3PB APG AO3PG gd_22
10356 AO3PB APG AO3PG AH3PG gd_19
10357 AO3PB APG AO3PG AH3PG gd_22
10359 [ PMB ]
10360 [ atoms ]
10361 PC8 CH3 0.00000 0
10362 PC5 C 0.00000 0
10363 PC4 CR1 0.00000 0
10364 PC6 CR1 0.00000 0
10365 PC3 CR1 0.00000 1
10366 PC7 CR1 0.00000 1
10367 PC2 C 0.00000 1
10368 PC1 CH0 0.00000 2
10369 PO OM -0.60000 2
10370 PHC1 HC -0.20000 2
10371 PHC2 HC -0.20000 2
10372 [ bonds ]
10373 PC8 PC5 gb_27
10374 PC5 PC4 gb_16
10375 PC5 PC6 gb_16
10376 PC4 PC3 gb_16
10377 PC6 PC7 gb_16
10378 PC3 PC2 gb_16
10379 PC7 PC2 gb_16
10380 PC2 PC1 gb_27
10381 PC1 PO gb_19
10382 PC1 PHC1 gb_3
10383 PC1 PHC2 gb_3
10384 [ exclusions ]
10385 ; ai aj
10386 PC8 PC3
10387 PC8 PC7
10388 PC5 PC2
10389 PC4 PC7
10390 PC4 PC1
10391 PC6 PC3
10392 PC6 PC1
10393 [ angles ]
10394 ; ai aj ak gromos type
10395 PC8 PC5 PC4 ga_27
10396 PC8 PC5 PC6 ga_27
10397 PC4 PC5 PC6 ga_27
10398 PC5 PC4 PC3 ga_27
10399 PC5 PC6 PC7 ga_27
10400 PC4 PC3 PC2 ga_27
10401 PC6 PC7 PC2 ga_27
10402 PC3 PC2 PC7 ga_27
10403 PC3 PC2 PC1 ga_27
10404 PC7 PC2 PC1 ga_27
10405 PC2 PC1 PO ga_13
10406 PC2 PC1 PHC1 ga_11
10407 PC2 PC1 PHC2 ga_11
10408 PO PC1 PHC1 ga_11
10409 PO PC1 PHC2 ga_11
10410 PHC1 PC1 PHC2 ga_10
10411 [ impropers ]
10412 ; ai aj ak al gromos type
10413 PC5 PC4 PC6 PC8 gi_1
10414 PC5 PC4 PC3 PC2 gi_1
10415 PC5 PC6 PC7 PC2 gi_1
10416 PC4 PC5 PC6 PC7 gi_1
10417 PC4 PC3 PC2 PC7 gi_1
10418 PC6 PC5 PC4 PC3 gi_1
10419 PC6 PC7 PC2 PC3 gi_1
10420 PC2 PC3 PC7 PC1 gi_1
10421 [ dihedrals ]
10422 ; ai aj ak al gromos type
10423 PC3 PC2 PC1 PO gd_40
10425 [ PMBH ]
10426 [ atoms ]
10427 PC8 CH3 0.00000 0
10428 PC5 C 0.00000 0
10429 PC4 CR1 0.00000 0
10430 PC6 CR1 0.00000 0
10431 PC3 CR1 0.00000 1
10432 PC7 CR1 0.00000 1
10433 PC2 C 0.00000 1
10434 PC1 CH0 -0.05000 2
10435 PO OA -0.54800 2
10436 PH H 0.39800 2
10437 PHC1 HC 0.10000 2
10438 PHC2 HC 0.10000 2
10439 [ bonds ]
10440 PC8 PC5 gb_27
10441 PC5 PC4 gb_16
10442 PC5 PC6 gb_16
10443 PC4 PC3 gb_16
10444 PC6 PC7 gb_16
10445 PC3 PC2 gb_16
10446 PC7 PC2 gb_16
10447 PC2 PC1 gb_27
10448 PC1 PO gb_13
10449 PC1 PHC1 gb_3
10450 PC1 PHC2 gb_3
10451 PO PH gb_1
10452 [ exclusions ]
10453 ; ai aj
10454 PC8 PC3
10455 PC8 PC7
10456 PC5 PC2
10457 PC4 PC7
10458 PC4 PC1
10459 PC6 PC3
10460 PC6 PC1
10461 [ angles ]
10462 ; ai aj ak gromos type
10463 PC8 PC5 PC4 ga_27
10464 PC8 PC5 PC6 ga_27
10465 PC4 PC5 PC6 ga_27
10466 PC5 PC4 PC3 ga_27
10467 PC5 PC6 PC7 ga_27
10468 PC4 PC3 PC2 ga_27
10469 PC6 PC7 PC2 ga_27
10470 PC3 PC2 PC7 ga_27
10471 PC3 PC2 PC1 ga_27
10472 PC7 PC2 PC1 ga_27
10473 PC2 PC1 PO ga_13
10474 PC2 PC1 PHC1 ga_11
10475 PC2 PC1 PHC2 ga_11
10476 PO PC1 PHC1 ga_11
10477 PO PC1 PHC2 ga_11
10478 PHC1 PC1 PHC2 ga_10
10479 PC1 PO PH ga_12
10480 [ impropers ]
10481 ; ai aj ak al gromos type
10482 PC5 PC4 PC6 PC8 gi_1
10483 PC5 PC4 PC3 PC2 gi_1
10484 PC5 PC6 PC7 PC2 gi_1
10485 PC4 PC5 PC6 PC7 gi_1
10486 PC4 PC3 PC2 PC7 gi_1
10487 PC6 PC5 PC4 PC3 gi_1
10488 PC6 PC7 PC2 PC3 gi_1
10489 PC2 PC3 PC7 PC1 gi_1
10490 [ dihedrals ]
10491 ; ai aj ak al gromos type
10492 PC3 PC2 PC1 PO gd_40
10493 PC2 PC1 PO PH gd_23
10495 [ BA ]
10496 [ atoms ]
10497 C3 C -0.10000 0
10498 H3 HC 0.10000 0
10499 C2 C -0.10000 1
10500 H2 HC 0.10000 1
10501 C4 C -0.10000 2
10502 H4 HC 0.10000 2
10503 C1 C -0.10000 3
10504 H1 HC 0.10000 3
10505 C5 C -0.10000 4
10506 H5 HC 0.10000 4
10507 C6 C 0.00000 5
10508 C7 C 0.53000 6
10509 O8 O -0.38000 6
10510 O9 OA -0.54800 6
10511 H9 H 0.39800 6
10512 [ bonds ]
10513 C3 H3 gb_3
10514 C3 C2 gb_16
10515 C3 C4 gb_16
10516 C2 H2 gb_3
10517 C2 C1 gb_16
10518 C4 H4 gb_3
10519 C4 C5 gb_16
10520 C1 H1 gb_3
10521 C1 C6 gb_16
10522 C5 H5 gb_3
10523 C5 C6 gb_16
10524 C6 C7 gb_23
10525 C7 O8 gb_5
10526 C7 O9 gb_13
10527 O9 H9 gb_1
10528 [ exclusions ]
10529 ; ai aj
10530 C3 H1
10531 C3 H5
10532 C3 C6
10533 H3 H2
10534 H3 H4
10535 H3 C1
10536 H3 C5
10537 C2 H4
10538 C2 C5
10539 C2 C7
10540 H2 C4
10541 H2 H1
10542 H2 C6
10543 C4 C1
10544 C4 C7
10545 H4 H5
10546 H4 C6
10547 C1 H5
10548 H1 C5
10549 H1 C7
10550 H5 C7
10551 [ angles ]
10552 ; ai aj ak gromos type
10553 H3 C3 C2 ga_25
10554 H3 C3 C4 ga_25
10555 C2 C3 C4 ga_27
10556 C3 C2 H2 ga_25
10557 C3 C2 C1 ga_27
10558 H2 C2 C1 ga_25
10559 C3 C4 H4 ga_25
10560 C3 C4 C5 ga_27
10561 H4 C4 C5 ga_25
10562 C2 C1 H1 ga_25
10563 C2 C1 C6 ga_27
10564 H1 C1 C6 ga_25
10565 C4 C5 H5 ga_25
10566 C4 C5 C6 ga_27
10567 H5 C5 C6 ga_25
10568 C1 C6 C5 ga_27
10569 C1 C6 C7 ga_27
10570 C5 C6 C7 ga_27
10571 C6 C7 O8 ga_30
10572 C6 C7 O9 ga_19
10573 O8 C7 O9 ga_33
10574 C7 O9 H9 ga_12
10575 [ impropers ]
10576 ; ai aj ak al gromos type
10577 C3 C2 C4 H3 gi_1
10578 C3 C2 C1 C6 gi_1
10579 C3 C4 C5 C6 gi_1
10580 C2 C3 C4 C5 gi_1
10581 C2 C1 C6 C5 gi_1
10582 H2 C3 C1 C2 gi_1
10583 C4 C3 C2 C1 gi_1
10584 C4 C5 C6 C1 gi_1
10585 H4 C3 C5 C4 gi_1
10586 C1 C2 C6 H1 gi_1
10587 C5 C4 C6 H5 gi_1
10588 C6 C1 C5 C7 gi_1
10589 C7 O8 O9 C6 gi_1
10590 [ dihedrals ]
10591 ; ai aj ak al gromos type
10592 C1 C6 C7 O9 gd_10
10593 C6 C7 O9 H9 gd_12
10595 [ RTOL ]
10596 [ atoms ]
10597 C18 CH3 0.00000 0
10598 C17 CH3 0.00000 0
10599 C1 CH0 0.00000 0
10600 C2 CH2r 0.00000 1
10601 C3 CH2r 0.00000 1
10602 C4 CH2r 0.00000 1
10603 C5 C 0.00000 2
10604 C16 CH3 0.00000 2
10605 C6 C 0.00000 2
10606 C7 CR1 0.00000 3
10607 C8 CR1 0.00000 3
10608 C9 C 0.00000 4
10609 C19 CH3 0.00000 4
10610 C10 CR1 0.00000 4
10611 C11 CR1 0.00000 5
10612 C12 CR1 0.00000 5
10613 C13 C 0.00000 6
10614 C20 CH3 0.00000 6
10615 C14 CR1 0.00000 6
10616 C15 CH2 0.15000 7
10617 O21 OA -0.54800 7
10618 H21 H 0.39800 7
10619 [ bonds ]
10620 C18 C1 gb_27
10621 C17 C1 gb_27
10622 C1 C2 gb_27
10623 C1 C6 gb_27
10624 C2 C3 gb_27
10625 C3 C4 gb_27
10626 C4 C5 gb_27
10627 C5 C16 gb_27
10628 C5 C6 gb_10
10629 C6 C7 gb_23
10630 C7 C8 gb_13
10631 C8 C9 gb_23
10632 C9 C19 gb_27
10633 C9 C10 gb_13
10634 C10 C11 gb_23
10635 C11 C12 gb_13
10636 C12 C13 gb_23
10637 C13 C20 gb_27
10638 C13 C14 gb_13
10639 C14 C15 gb_23
10640 C15 O21 gb_18
10641 O21 H21 gb_1
10642 [ angles ]
10643 ; ai aj ak gromos type
10644 C18 C1 C17 ga_13
10645 C18 C1 C2 ga_13
10646 C18 C1 C6 ga_13
10647 C17 C1 C2 ga_13
10648 C17 C1 C6 ga_13
10649 C2 C1 C6 ga_13
10650 C1 C2 C3 ga_13
10651 C2 C3 C4 ga_13
10652 C3 C4 C5 ga_13
10653 C4 C5 C16 ga_27
10654 C4 C5 C6 ga_27
10655 C16 C5 C6 ga_27
10656 C1 C6 C5 ga_27
10657 C1 C6 C7 ga_27
10658 C5 C6 C7 ga_27
10659 C6 C7 C8 ga_27
10660 C7 C8 C9 ga_27
10661 C8 C9 C19 ga_27
10662 C8 C9 C10 ga_27
10663 C19 C9 C10 ga_27
10664 C9 C10 C11 ga_27
10665 C10 C11 C12 ga_27
10666 C11 C12 C13 ga_27
10667 C12 C13 C20 ga_27
10668 C12 C13 C14 ga_27
10669 C20 C13 C14 ga_27
10670 C13 C14 C15 ga_27
10671 C14 C15 O21 ga_13
10672 C15 O21 H21 ga_12
10673 [ impropers ]
10674 ; ai aj ak al gromos type
10675 C5 C4 C6 C16 gi_1
10676 C6 C1 C7 C5 gi_1
10677 C9 C8 C10 C19 gi_1
10678 C13 C12 C14 C20 gi_1
10679 [ dihedrals ]
10680 ; ai aj ak al gromos type
10681 C6 C1 C2 C3 gd_34
10682 C2 C1 C6 C5 gd_34
10683 C1 C2 C3 C4 gd_34
10684 C2 C3 C4 C5 gd_34
10685 C3 C4 C5 C6 gd_34
10686 C4 C5 C6 C1 gd_14
10687 C5 C6 C7 C8 gd_34
10688 C6 C7 C8 C9 gd_14
10689 C7 C8 C9 C10 gd_12
10690 C8 C9 C10 C11 gd_14
10691 C9 C10 C11 C12 gd_12
10692 C10 C11 C12 C13 gd_14
10693 C11 C12 C13 C14 gd_12
10694 C12 C13 C14 C15 gd_14
10695 C13 C14 C15 O21 gd_40
10696 C14 C15 O21 H21 gd_23
10698 [ TEMP ]
10699 [ atoms ]
10700 O1 O -0.20000 0
10701 N1 NR -0.03600 0
10702 C1 CH0 0.11800 0
10703 C4 CH0 0.11800 0
10704 CA C 0.00000 1
10705 C3 CR1 0.00000 1
10706 C6 CH3 0.00000 2
10707 C7 CH3 0.00000 3
10708 C8 CH3 0.00000 4
10709 C9 CH3 0.00000 5
10710 C5 C 0.38000 6
10711 O5 O -0.38000 6
10712 [ bonds ]
10713 O1 N1 gb_6
10714 N1 C1 gb_22
10715 N1 C4 gb_22
10716 C1 CA gb_25
10717 C1 C6 gb_26
10718 C1 C7 gb_26
10719 C4 C3 gb_25
10720 C4 C8 gb_26
10721 C4 C9 gb_26
10722 CA C3 gb_7
10723 CA C5 gb_23
10724 C5 O5 gb_5
10725 C5 +N gb_10
10726 [ exclusions ]
10727 ; ai aj
10728 O1 CA
10729 O1 C3
10730 O1 C6
10731 O1 C7
10732 O1 C8
10733 O1 C9
10734 N1 C5
10735 C1 C8
10736 C1 C9
10737 C4 C6
10738 C4 C7
10739 C4 C5
10740 CA C8
10741 CA C9
10742 C3 C6
10743 C3 C7
10744 C6 C5
10745 C7 C5
10746 [ angles ]
10747 ; ai aj ak gromos type
10748 O1 N1 C1 ga_31
10749 O1 N1 C4 ga_31
10750 C1 N1 C4 ga_19
10751 N1 C1 CA ga_3
10752 N1 C1 C6 ga_13
10753 N1 C1 C7 ga_13
10754 CA C1 C6 ga_16
10755 CA C1 C7 ga_16
10756 C6 C1 C7 ga_15
10757 N1 C4 C3 ga_3
10758 N1 C4 C8 ga_13
10759 N1 C4 C9 ga_13
10760 C3 C4 C8 ga_16
10761 C3 C4 C9 ga_16
10762 C8 C4 C9 ga_15
10763 C1 CA C3 ga_16
10764 C1 CA C5 ga_31
10765 C3 CA C5 ga_35
10766 C4 C3 CA ga_16
10767 CA C5 O5 ga_30
10768 CA C5 +N ga_19
10769 O5 C5 +N ga_33
10770 [ impropers ]
10771 ; ai aj ak al gromos type
10772 N1 C1 C4 O1 gi_1
10773 N1 C1 CA C3 gi_1
10774 N1 C4 C3 CA gi_1
10775 C1 N1 C4 C3 gi_1
10776 C1 CA C3 C4 gi_1
10777 C4 N1 C1 CA gi_1
10778 CA C1 C3 C5 gi_1
10779 C5 CA +N O5 gi_1
10780 [ dihedrals ]
10781 ; ai aj ak al gromos type
10782 C3 CA C5 +N gd_14
10784 [ ETH ]
10785 [ atoms ]
10786 EO OM -0.60000 0
10787 EC1 CH2 -0.40000 0
10788 EC2 CH3 0.00000 0
10789 [ bonds ]
10790 EO EC1 gb_19
10791 EC1 EC2 gb_27
10792 [ angles ]
10793 ; ai aj ak gromos type
10794 EO EC1 EC2 ga_13
10795 [ impropers ]
10796 ; ai aj ak al gromos type
10797 [ dihedrals ]
10798 ; ai aj ak al gromos type
10800 [ ETHH ]
10801 [ atoms ]
10802 EH H 0.40800 0
10803 EO OA -0.67400 0
10804 EC1 CH2 0.26600 0
10805 EC2 CH3 0.00000 1
10806 [ bonds ]
10807 EH EO gb_1
10808 EO EC1 gb_18
10809 EC1 EC2 gb_27
10810 [ angles ]
10811 ; ai aj ak gromos type
10812 EH EO EC1 ga_12
10813 EO EC1 EC2 ga_15
10814 [ impropers ]
10815 ; ai aj ak al gromos type
10816 [ dihedrals ]
10817 ; ai aj ak al gromos type
10818 EH EO EC1 EC2 gd_23
10820 [ CH4 ]
10821 [ atoms ]
10822 CM CH4 0.00000 0
10823 [ bonds ]
10824 [ angles ]
10825 ; ai aj ak gromos type
10826 [ impropers ]
10827 ; ai aj ak al gromos type
10828 [ dihedrals ]
10829 ; ai aj ak al gromos type
10831 [ AR ]
10832 [ atoms ]
10833 AR AR 0.00000 0
10834 [ bonds ]
10835 [ angles ]
10836 ; ai aj ak gromos type
10837 [ impropers ]
10838 ; ai aj ak al gromos type
10839 [ dihedrals ]
10840 ; ai aj ak al gromos type
10842 [ SO42- ]
10843 [ atoms ]
10844 S S 0.54000 0
10845 O1 OM -0.63500 0
10846 O2 OM -0.63500 0
10847 O3 OM -0.63500 0
10848 O4 OM -0.63500 0
10849 [ bonds ]
10850 S O1 gb_25
10851 S O2 gb_25
10852 S O3 gb_25
10853 S O4 gb_25
10854 [ angles ]
10855 ; ai aj ak gromos type
10856 O1 S O2 ga_13
10857 O1 S O3 ga_13
10858 O1 S O4 ga_13
10859 O2 S O3 ga_13
10860 O2 S O4 ga_13
10861 O3 S O4 ga_13
10862 [ impropers ]
10863 ; ai aj ak al gromos type
10864 [ dihedrals ]
10865 ; ai aj ak al gromos type
10867 [ ZN2+ ]
10868 [ atoms ]
10869 ZN ZN2+ 2.00000 0
10870 [ bonds ]
10871 [ angles ]
10872 ; ai aj ak gromos type
10873 [ impropers ]
10874 ; ai aj ak al gromos type
10875 [ dihedrals ]
10876 ; ai aj ak al gromos type
10878 [ NA+ ]
10879 [ atoms ]
10880 NA NA+ 1.00000 0
10881 [ bonds ]
10882 [ angles ]
10883 ; ai aj ak gromos type
10884 [ impropers ]
10885 ; ai aj ak al gromos type
10886 [ dihedrals ]
10887 ; ai aj ak al gromos type
10889 [ CL- ]
10890 [ atoms ]
10891 CL CL- -1.00000 0
10892 [ bonds ]
10893 [ angles ]
10894 ; ai aj ak gromos type
10895 [ impropers ]
10896 ; ai aj ak al gromos type
10897 [ dihedrals ]
10898 ; ai aj ak al gromos type
10900 [ CA2+ ]
10901 [ atoms ]
10902 CA CA2+ 2.00000 0
10903 [ bonds ]
10904 [ angles ]
10905 ; ai aj ak gromos type
10906 [ impropers ]
10907 ; ai aj ak al gromos type
10908 [ dihedrals ]
10909 ; ai aj ak al gromos type
10911 [ MG2+ ]
10912 [ atoms ]
10913 MG MG2+ 2.00000 0
10914 [ bonds ]
10915 [ angles ]
10916 ; ai aj ak gromos type
10917 [ impropers ]
10918 ; ai aj ak al gromos type
10919 [ dihedrals ]
10920 ; ai aj ak al gromos type
10922 [ CU1+ ]
10923 [ atoms ]
10924 CU CU1+ 1.00000 0
10925 [ bonds ]
10926 [ angles ]
10927 ; ai aj ak gromos type
10928 [ impropers ]
10929 ; ai aj ak al gromos type
10930 [ dihedrals ]
10931 ; ai aj ak al gromos type
10933 [ CU2+ ]
10934 [ atoms ]
10935 CU CU2+ 2.00000 0
10936 [ bonds ]
10937 [ angles ]
10938 ; ai aj ak gromos type
10939 [ impropers ]
10940 ; ai aj ak al gromos type
10941 [ dihedrals ]
10942 ; ai aj ak al gromos type
10944 [ H2O ]
10945 [ atoms ]
10946 OW OW -0.82000 0
10947 HW1 H 0.41000 0
10948 HW2 H 0.41000 0
10949 [ bonds ]
10950 OW HW1 gb_38
10951 OW HW2 gb_38
10952 HW1 HW2 gb_46
10953 [ angles ]
10954 ; ai aj ak gromos type
10955 [ impropers ]
10956 ; ai aj ak al gromos type
10957 [ dihedrals ]
10958 ; ai aj ak al gromos type
10960 [ HOH ]
10961 [ atoms ]
10962 OW OW -0.82000 0
10963 HW1 H 0.41000 0
10964 HW2 H 0.41000 0
10965 [ bonds ]
10966 OW HW1 gb_38
10967 OW HW2 gb_38
10968 HW1 HW2 gb_46
10969 [ angles ]
10970 ; ai aj ak gromos type
10971 [ impropers ]
10972 ; ai aj ak al gromos type
10973 [ dihedrals ]
10974 ; ai aj ak al gromos type
10976 [ H2OE ]
10977 [ atoms ]
10978 OW OW -0.84760 0
10979 HW1 H 0.42380 0
10980 HW2 H 0.42380 0
10981 [ bonds ]
10982 OW HW1 gb_38
10983 OW HW2 gb_38
10984 HW1 HW2 gb_46
10985 [ angles ]
10986 ; ai aj ak gromos type
10987 [ impropers ]
10988 ; ai aj ak al gromos type
10989 [ dihedrals ]
10990 ; ai aj ak al gromos type
10992 [ CHCL3 ]
10993 [ atoms ]
10994 CChl CCHL 0.17900 0
10995 HChl HCHL 0.08200 0
10996 CLCh1 CLCHL -0.08700 0
10997 CLCh2 CLCHL -0.08700 0
10998 CLCh3 CLCHL -0.08700 0
10999 [ bonds ]
11000 CChl CLCh1 gb_40
11001 CChl CLCh2 gb_40
11002 CChl CLCh3 gb_40
11003 HChl CLCh1 gb_47
11004 HChl CLCh2 gb_47
11005 HChl CLCh3 gb_47
11006 CLCh1 CLCh2 gb_48
11007 CLCh1 CLCh3 gb_48
11008 CLCh2 CLCh3 gb_48
11009 [ angles ]
11010 ; ai aj ak gromos type
11011 [ impropers ]
11012 ; ai aj ak al gromos type
11013 [ dihedrals ]
11014 ; ai aj ak al gromos type
11016 [ DMSO ]
11017 [ atoms ]
11018 SDmso SDMSO 0.12753 0
11019 ODmso ODMSO -0.44753 0
11020 CDms1 CDMSO 0.16000 0
11021 CDms2 CDMSO 0.16000 0
11022 [ bonds ]
11023 SDmso ODmso gb_41
11024 SDmso CDms1 gb_42
11025 SDmso CDms2 gb_42
11026 ODmso CDms1 gb_49
11027 ODmso CDms2 gb_49
11028 CDms1 CDms2 gb_50
11029 [ angles ]
11030 ; ai aj ak gromos type
11031 [ impropers ]
11032 ; ai aj ak al gromos type
11033 [ dihedrals ]
11034 ; ai aj ak al gromos type
11036 [ CH3OH ]
11037 [ atoms ]
11038 Omet OMET -0.67400 0
11039 HMet H 0.40800 0
11040 CMet CMET 0.26600 0
11041 [ bonds ]
11042 Omet HMet gb_1
11043 Omet CMet gb_27
11044 HMet CMet gb_51
11045 [ angles ]
11046 ; ai aj ak gromos type
11047 [ impropers ]
11048 ; ai aj ak al gromos type
11049 [ dihedrals ]
11050 ; ai aj ak al gromos type
11052 [ CCL4 ]
11053 [ atoms ]
11054 CCl4 CCL4 0.00000 0
11055 CLCl1 CLCL4 0.00000 0
11056 CLCl2 CLCL4 0.00000 0
11057 CLCl3 CLCL4 0.00000 0
11058 CLCl4 CLCL4 0.00000 0
11059 [ bonds ]
11060 CCl4 CLCl1 gb_43
11061 CCl4 CLCl2 gb_43
11062 CCl4 CLCl3 gb_43
11063 CCl4 CLCl4 gb_43
11064 CLCl1 CLCl2 gb_52
11065 CLCl1 CLCl3 gb_52
11066 CLCl1 CLCl4 gb_52
11067 CLCl2 CLCl3 gb_52
11068 CLCl2 CLCl4 gb_52
11069 [ angles ]
11070 ; ai aj ak gromos type
11071 [ impropers ]
11072 ; ai aj ak al gromos type
11073 [ dihedrals ]
11074 ; ai aj ak al gromos type
11076 [ TFE ]
11077 [ atoms ]
11078 HT H 0.41000 0
11079 OT OTFE -0.62500 0
11080 CH2T CHTFE 0.27300 0
11081 CT CTFE 0.45200 0
11082 F1T FTFE -0.17000 0
11083 F2T FTFE -0.17000 0
11084 F3T FTFE -0.17000 0
11085 [ bonds ]
11086 HT OT gb_1
11087 OT CH2T gb_18
11088 CH2T CT gb_27
11089 CT F1T gb_13
11090 CT F2T gb_13
11091 CT F3T gb_13
11092 [ angles ]
11093 ; ai aj ak gromos type
11094 HT OT CH2T ga_50
11095 OT CH2T CT ga_51
11096 CH2T CT F1T ga_52
11097 CH2T CT F2T ga_52
11098 CH2T CT F3T ga_52
11099 F1T CT F2T ga_49
11100 F1T CT F3T ga_49
11101 F2T CT F3T ga_49
11102 [ impropers ]
11103 ; ai aj ak al gromos type
11104 [ dihedrals ]
11105 ; ai aj ak al gromos type
11106 HT OT CH2T CT gd_24
11108 [ UREA ]
11109 [ atoms ]
11110 OU OUREA -0.39000 0
11111 CU CUREA 0.14200 0
11112 N1U NUREA -0.54200 0
11113 H11U H 0.33300 0
11114 H12U H 0.33300 0
11115 N2U NUREA -0.54200 0
11116 H21U H 0.33300 0
11117 H22U H 0.33300 0
11118 [ bonds ]
11119 OU CU gb_44
11120 CU N1U gb_45
11121 CU N2U gb_45
11122 N1U H11U gb_2
11123 N1U H12U gb_2
11124 N2U H21U gb_2
11125 N2U H22U gb_2
11126 [ exclusions ]
11127 ; ai aj
11128 OU H11U
11129 OU H12U
11130 OU H21U
11131 OU H22U
11132 N1U H21U
11133 N1U H22U
11134 H11U N2U
11135 H11U H21U
11136 H11U H22U
11137 H12U N2U
11138 H12U H21U
11139 H12U H22U
11140 [ angles ]
11141 ; ai aj ak gromos type
11142 OU CU N1U ga_54
11143 OU CU N2U ga_54
11144 N1U CU N2U ga_53
11145 CU N1U H11U ga_23
11146 CU N1U H12U ga_23
11147 H11U N1U H12U ga_24
11148 CU N2U H21U ga_23
11149 CU N2U H22U ga_23
11150 H21U N2U H22U ga_24
11151 [ impropers ]
11152 ; ai aj ak al gromos type
11153 CU N1U N2U OU gi_1
11154 N1U H11U H12U CU gi_1
11155 N2U H21U H22U CU gi_1
11156 [ dihedrals ]
11157 ; ai aj ak al gromos type
11158 OU CU N1U H11U gd_15
11159 OU CU N2U H21U gd_15