| blob | 7765ff651e6bca325640577514bb406ee66ffd27 |
1 [ bondedtypes ]
2 ; Col 1: Type of bond
3 ; Col 2: Type of angles
4 ; Col 3: Type of proper dihedrals
5 ; Col 4: Type of improper dihedrals
6 ; Col 5: Generate all dihedrals if 1, only heavy atoms of 0.
7 ; Col 6: Number of excluded neighbors for nonbonded interactions
8 ; Col 7: Generate 1,4 interactions between pairs of hydrogens if 1
9 ; Col 8: Remove propers over the same bond as an improper if it is 1
10 ; bonds angles dihedrals impropers all_dihedrals nrexcl HH14 RemoveDih
11 2 2 1 2 0 3 0 1
14 [ ACE ]
15 [ atoms ]
16 CA CH3 0.000 0
17 C C 0.380 1
18 O O -0.380 1
19 [ bonds ]
20 C CA gb_26
21 C O gb_4
22 C +N gb_9
23 [ angles ]
24 CA C +N ga_18
25 O C +N ga_32
26 [ impropers ]
27 C CA +N O gi_1
29 [ NH2 ]
30 [ atoms ]
31 N NT -0.83 0
32 H1 H 0.415 0
33 H2 H 0.415 0
34 [ bonds ]
35 N H1 gb_2
36 N H2 gb_2
37 -C N gb_8
38 [ angles ]
39 -O -C N ga_32
40 -CA -C N ga_18
41 -C N H1 ga_22
42 -C N H2 ga_22
43 H1 N H2 ga_23
44 [ dihedrals ]
45 -CA -C N H1 gd_4
46 [ impropers ]
47 -C -O N -CA gi_1
48 N H1 H2 -C gi_1
50 [ ALA ]
51 [ atoms ]
52 N N -0.28000 0
53 H H 0.28000 0
54 CA CH1 0.00000 1
55 CB CH3 0.00000 1
56 C C 0.380 2
57 O O -0.380 2
58 [ bonds ]
59 N H gb_2
60 N CA gb_20
61 CA C gb_26
62 C O gb_4
63 C +N gb_9
64 CA CB gb_26
65 [ angles ]
66 ; ai aj ak gromos type
67 -C N H ga_31
68 H N CA ga_17
69 -C N CA ga_30
70 N CA C ga_12
71 CA C +N ga_18
72 CA C O ga_29
73 O C +N ga_32
74 N CA CB ga_12
75 C CA CB ga_12
76 [ impropers ]
77 ; ai aj ak al gromos type
78 N -C CA H gi_1
79 C CA +N O gi_1
80 CA N C CB gi_2
81 [ dihedrals ]
82 ; ai aj ak al gromos type
83 -CA -C N CA gd_4
84 -C N CA C gd_19
85 N CA C +N gd_20
87 [ ARG ]
88 [ atoms ]
89 N N -0.28000 0
90 H H 0.28000 0
91 CA CH1 0.00000 1
92 CB CH2 0.00000 1
93 CG CH2 0.00000 1
94 CD CH2 0.09000 2
95 NE NE -0.11000 2
96 HE H 0.24000 2
97 CZ C 0.34000 2
98 NH1 NZ -0.26000 2
99 HH11 H 0.24000 2
100 HH12 H 0.24000 2
101 NH2 NZ -0.26000 2
102 HH21 H 0.24000 2
103 HH22 H 0.24000 2
104 C C 0.380 3
105 O O -0.380 3
106 [ bonds ]
107 N H gb_2
108 N CA gb_20
109 CA C gb_26
110 C O gb_4
111 C +N gb_9
112 CA CB gb_26
113 CB CG gb_26
114 CG CD gb_26
115 CD NE gb_20
116 NE HE gb_2
117 NE CZ gb_10
118 CZ NH1 gb_10
119 CZ NH2 gb_10
120 NH1 HH11 gb_2
121 NH1 HH12 gb_2
122 NH2 HH21 gb_2
123 NH2 HH22 gb_2
124 [ angles ]
125 ; ai aj ak gromos type
126 -C N H ga_31
127 H N CA ga_17
128 -C N CA ga_30
129 N CA C ga_12
130 CA C +N ga_18
131 CA C O ga_29
132 O C +N ga_32
133 N CA CB ga_12
134 C CA CB ga_12
135 CA CB CG ga_14
136 CB CG CD ga_14
137 CG CD NE ga_12
138 CD NE HE ga_19
139 HE NE CZ ga_22
140 CD NE CZ ga_32
141 NE CZ NH1 ga_27
142 NE CZ NH2 ga_27
143 NH1 CZ NH2 ga_27
144 CZ NH1 HH11 ga_22
145 CZ NH1 HH12 ga_22
146 HH11 NH1 HH12 ga_23
147 CZ NH2 HH21 ga_22
148 CZ NH2 HH22 ga_22
149 HH21 NH2 HH22 ga_23
150 [ impropers ]
151 ; ai aj ak al gromos type
152 N -C CA H gi_1
153 C CA +N O gi_1
154 CA N C CB gi_2
155 NE CD CZ HE gi_1
156 CZ NH1 NH2 NE gi_1
157 NH1 HH11 HH12 CZ gi_1
158 NH2 HH21 HH22 CZ gi_1
159 [ dihedrals ]
160 ; ai aj ak al gromos type
161 -CA -C N CA gd_4
162 -C N CA C gd_19
163 N CA C +N gd_20
164 N CA CB CG gd_17
165 CA CB CG CD gd_17
166 CB CG CD NE gd_17
167 CG CD NE CZ gd_19
168 CD NE CZ NH1 gd_4
169 NE CZ NH1 HH11 gd_4
170 NE CZ NH2 HH21 gd_4
172 [ ARGN ]
173 [ atoms ]
174 N N -0.28000 0
175 H H 0.28000 0
176 CA CH1 0.00000 1
177 CB CH2 0.00000 1
178 CG CH2 0.00000 2
179 CD CH2 0.00000 2
180 NE NE -0.28000 3
181 HE H 0.28000 3
182 CZ C 0.15000 4
183 NH1 NE -0.54800 4
184 HH1 H 0.39800 4
185 NH2 NZ -0.83000 5
186 HH21 H 0.41500 5
187 HH22 H 0.41500 5
188 C C 0.380 6
189 O O -0.380 6
190 [ bonds ]
191 N H gb_2
192 N CA gb_20
193 CA C gb_26
194 C O gb_4
195 C +N gb_9
196 CA CB gb_26
197 CB CG gb_26
198 CG CD gb_26
199 CD NE gb_20
200 NE HE gb_2
201 NE CZ gb_10
202 CZ NH1 gb_10
203 CZ NH2 gb_10
204 NH1 HH1 gb_2
205 NH2 HH21 gb_2
206 NH2 HH22 gb_2
207 [ angles ]
208 ; ai aj ak gromos type
209 -C N H ga_31
210 H N CA ga_17
211 -C N CA ga_30
212 N CA C ga_12
213 CA C +N ga_18
214 CA C O ga_29
215 O C +N ga_32
216 N CA CB ga_12
217 C CA CB ga_12
218 CA CB CG ga_14
219 CB CG CD ga_14
220 CG CD NE ga_12
221 CD NE HE ga_19
222 HE NE CZ ga_22
223 CD NE CZ ga_32
224 NE CZ NH1 ga_27
225 NE CZ NH2 ga_27
226 NH1 CZ NH2 ga_27
227 CZ NH1 HH1 ga_22
228 CZ NH2 HH21 ga_22
229 CZ NH2 HH22 ga_22
230 HH21 NH2 HH22 ga_23
231 [ impropers ]
232 ; ai aj ak al gromos type
233 N -C CA H gi_1
234 C CA +N O gi_1
235 CA N C CB gi_2
236 NE CD CZ HE gi_1
237 CZ NH1 NH2 NE gi_1
238 NH2 HH21 HH22 CZ gi_1
239 [ dihedrals ]
240 ; ai aj ak al gromos type
241 -CA -C N CA gd_4
242 -C N CA C gd_19
243 N CA C +N gd_20
244 N CA CB CG gd_17
245 CA CB CG CD gd_17
246 CB CG CD NE gd_17
247 CG CD NE CZ gd_19
248 CD NE CZ NH1 gd_4
249 NE CZ NH1 HH1 gd_4
250 NE CZ NH2 HH21 gd_4
252 [ ASN ]
253 [ atoms ]
254 N N -0.28000 0
255 H H 0.28000 0
256 CA CH1 0.00000 1
257 CB CH2 0.00000 1
258 CG C 0.38000 2
259 OD1 O -0.38000 2
260 ND2 NT -0.83000 3
261 HD21 H 0.41500 3
262 HD22 H 0.41500 3
263 C C 0.380 4
264 O O -0.380 4
265 [ bonds ]
266 N H gb_2
267 N CA gb_20
268 CA C gb_26
269 C O gb_4
270 C +N gb_9
271 CA CB gb_26
272 CB CG gb_26
273 CG OD1 gb_4
274 CG ND2 gb_8
275 ND2 HD21 gb_2
276 ND2 HD22 gb_2
277 [ angles ]
278 ; ai aj ak gromos type
279 -C N H ga_31
280 H N CA ga_17
281 -C N CA ga_30
282 N CA C ga_12
283 CA C +N ga_18
284 CA C O ga_29
285 O C +N ga_32
286 N CA CB ga_12
287 C CA CB ga_12
288 CA CB CG ga_14
289 CB CG OD1 ga_29
290 CB CG ND2 ga_18
291 OD1 CG ND2 ga_32
292 CG ND2 HD21 ga_22
293 CG ND2 HD22 ga_22
294 HD21 ND2 HD22 ga_23
295 [ impropers ]
296 ; ai aj ak al gromos type
297 N -C CA H gi_1
298 C CA +N O gi_1
299 CA N C CB gi_2
300 CG OD1 ND2 CB gi_1
301 ND2 HD21 HD22 CG gi_1
302 [ dihedrals ]
303 ; ai aj ak al gromos type
304 -CA -C N CA gd_4
305 -C N CA C gd_19
306 N CA C +N gd_20
307 N CA CB CG gd_17
308 CA CB CG ND2 gd_20
309 CB CG ND2 HD21 gd_4
311 [ ASN1 ]
312 [ atoms ]
313 N N -0.28000 0
314 H H 0.28000 0
315 CA CH1 0.00000 1
316 CB CH2 0.00000 1
317 CG C 0.38000 2
318 OD1 O -0.38000 2
319 ND2 NL -0.83000 3
320 HD21 H 0.41500 3
321 HD22 H 0.41500 3
322 C C 0.380 4
323 O O -0.380 4
324 [ bonds ]
325 N H gb_2
326 N CA gb_20
327 CA C gb_26
328 C O gb_4
329 C +N gb_9
330 CA CB gb_26
331 CB CG gb_26
332 CG OD1 gb_4
333 CG ND2 gb_8
334 ND2 HD21 gb_2
335 ND2 HD22 gb_2
336 [ angles ]
337 ; ai aj ak gromos type
338 -C N H ga_31
339 H N CA ga_17
340 -C N CA ga_30
341 N CA C ga_12
342 CA C +N ga_18
343 CA C O ga_29
344 O C +N ga_32
345 N CA CB ga_12
346 C CA CB ga_12
347 CA CB CG ga_14
348 CB CG OD1 ga_29
349 CB CG ND2 ga_18
350 OD1 CG ND2 ga_32
351 CG ND2 HD21 ga_22
352 CG ND2 HD22 ga_22
353 HD21 ND2 HD22 ga_23
354 [ impropers ]
355 ; ai aj ak al gromos type
356 N -C CA H gi_1
357 C CA +N O gi_1
358 CA N C CB gi_2
359 CG OD1 ND2 CB gi_1
360 ND2 HD21 HD22 CG gi_1
361 [ dihedrals ]
362 ; ai aj ak al gromos type
363 -CA -C N CA gd_4
364 -C N CA C gd_19
365 N CA C +N gd_20
366 N CA CB CG gd_17
367 CA CB CG ND2 gd_20
368 CB CG ND2 HD21 gd_4
370 [ ASP ]
371 [ atoms ]
372 N N -0.28000 0
373 H H 0.28000 0
374 CA CH1 0.00000 1
375 CB CH2 0.00000 1
376 CG C 0.27000 2
377 OD1 OM -0.63500 2
378 OD2 OM -0.63500 2
379 C C 0.380 3
380 O O -0.380 3
381 [ bonds ]
382 N H gb_2
383 N CA gb_20
384 CA C gb_26
385 C O gb_4
386 C +N gb_9
387 CA CB gb_26
388 CB CG gb_26
389 CG OD1 gb_5
390 CG OD2 gb_5
391 [ angles ]
392 ; ai aj ak gromos type
393 -C N H ga_31
394 H N CA ga_17
395 -C N CA ga_30
396 N CA C ga_12
397 CA C +N ga_18
398 CA C O ga_29
399 O C +N ga_32
400 N CA CB ga_12
401 C CA CB ga_12
402 CA CB CG ga_14
403 CB CG OD1 ga_21
404 CB CG OD2 ga_21
405 OD1 CG OD2 ga_37
406 [ impropers ]
407 ; ai aj ak al gromos type
408 N -C CA H gi_1
409 C CA +N O gi_1
410 CA N C CB gi_2
411 CG OD1 OD2 CB gi_1
412 [ dihedrals ]
413 ; ai aj ak al gromos type
414 -CA -C N CA gd_4
415 -C N CA C gd_19
416 N CA C +N gd_20
417 N CA CB CG gd_17
418 CA CB CG OD1 gd_20
420 [ ASPH ]
421 [ atoms ]
422 N N -0.28000 0
423 H H 0.28000 0
424 CA CH1 0.00000 1
425 CB CH2 0.00000 1
426 CG C 0.53000 2
427 OD1 O -0.38000 2
428 OD2 OA -0.54800 2
429 HD2 H 0.39800 2
430 C C 0.380 3
431 O O -0.380 3
432 [ bonds ]
433 N H gb_2
434 N CA gb_20
435 CA C gb_26
436 C O gb_4
437 C +N gb_9
438 CA CB gb_26
439 CB CG gb_26
440 CG OD1 gb_4
441 CG OD2 gb_12
442 OD2 HD2 gb_1
443 [ angles ]
444 ; ai aj ak gromos type
445 -C N H ga_31
446 H N CA ga_17
447 -C N CA ga_30
448 N CA C ga_12
449 CA C +N ga_18
450 CA C O ga_29
451 O C +N ga_32
452 N CA CB ga_12
453 C CA CB ga_12
454 CA CB CG ga_14
455 CB CG OD1 ga_29
456 CB CG OD2 ga_18
457 OD1 CG OD2 ga_32
458 CG OD2 HD2 ga_11
459 [ impropers ]
460 ; ai aj ak al gromos type
461 N -C CA H gi_1
462 C CA +N O gi_1
463 CA N C CB gi_2
464 CG OD1 OD2 CB gi_1
465 [ dihedrals ]
466 ; ai aj ak al gromos type
467 -CA -C N CA gd_4
468 -C N CA C gd_19
469 N CA C +N gd_20
470 N CA CB CG gd_17
471 CA CB CG OD2 gd_20
472 CB CG OD2 HD2 gd_3
474 [ CYS ]
475 [ atoms ]
476 N N -0.28000 0
477 H H 0.28000 0
478 CA CH1 0.00000 1
479 CB CH2 -0.10000 2
480 SG S -0.40000 2
481 C C 0.380 3
482 O O -0.380 3
483 [ bonds ]
484 N H gb_2
485 N CA gb_20
486 CA C gb_26
487 C O gb_4
488 C +N gb_9
489 CA CB gb_26
490 CB SG gb_30
491 [ angles ]
492 ; ai aj ak gromos type
493 -C N H ga_31
494 H N CA ga_17
495 -C N CA ga_30
496 N CA C ga_12
497 CA C +N ga_18
498 CA C O ga_29
499 O C +N ga_32
500 N CA CB ga_12
501 C CA CB ga_12
502 CA CB SG ga_15
503 [ impropers ]
504 ; ai aj ak al gromos type
505 N -C CA H gi_1
506 C CA +N O gi_1
507 CA N C CB gi_2
508 [ dihedrals ]
509 ; ai aj ak al gromos type
510 -CA -C N CA gd_4
511 -C N CA C gd_19
512 N CA C +N gd_20
513 N CA CB SG gd_17
515 [ CYSH ]
516 [ atoms ]
517 N N -0.28000 0
518 H H 0.28000 0
519 CA CH1 0.00000 1
520 CB CH2 0.00000 1
521 SG S -0.06400 2
522 HG H 0.06400 2
523 C C 0.380 3
524 O O -0.380 3
525 [ bonds ]
526 N H gb_2
527 N CA gb_20
528 CA C gb_26
529 C O gb_4
530 C +N gb_9
531 CA CB gb_26
532 CB SG gb_30
533 SG HG gb_7
534 [ angles ]
535 ; ai aj ak gromos type
536 -C N H ga_31
537 H N CA ga_17
538 -C N CA ga_30
539 N CA C ga_12
540 CA C +N ga_18
541 CA C O ga_29
542 O C +N ga_32
543 N CA CB ga_12
544 C CA CB ga_12
545 CA CB SG ga_15
546 CB SG HG ga_2
547 [ impropers ]
548 ; ai aj ak al gromos type
549 N -C CA H gi_1
550 C CA +N O gi_1
551 CA N C CB gi_2
552 [ dihedrals ]
553 ; ai aj ak al gromos type
554 -CA -C N CA gd_4
555 -C N CA C gd_19
556 N CA C +N gd_20
557 N CA CB SG gd_17
558 CA CB SG HG gd_13
560 [ CYS1 ]
561 [ atoms ]
562 N N -0.28000 0
563 H H 0.28000 0
564 CA CH1 0.00000 1
565 CB CH2 0.00000 1
566 SG S 0.00000 1
567 C C 0.380 2
568 O O -0.380 2
569 [ bonds ]
570 N H gb_2
571 N CA gb_20
572 CA C gb_26
573 C O gb_4
574 C +N gb_9
575 CA CB gb_26
576 CB SG gb_30
577 [ angles ]
578 ; ai aj ak gromos type
579 -C N H ga_31
580 H N CA ga_17
581 -C N CA ga_30
582 N CA C ga_12
583 CA C +N ga_18
584 CA C O ga_29
585 O C +N ga_32
586 N CA CB ga_12
587 C CA CB ga_12
588 CA CB SG ga_15
589 [ impropers ]
590 ; ai aj ak al gromos type
591 N -C CA H gi_1
592 C CA +N O gi_1
593 CA N C CB gi_2
594 [ dihedrals ]
595 ; ai aj ak al gromos type
596 -CA -C N CA gd_4
597 -C N CA C gd_19
598 N CA C +N gd_20
599 N CA CB SG gd_17
601 [ CYS2 ]
602 [ atoms ]
603 N N -0.28000 0
604 H H 0.28000 0
605 CA CH1 0.00000 1
606 CB CH2 0.00000 1
607 SG S 0.00000 1
608 C C 0.380 2
609 O O -0.380 2
610 [ bonds ]
611 N H gb_2
612 N CA gb_20
613 CA C gb_26
614 C O gb_4
615 C +N gb_9
616 CA CB gb_26
617 CB SG gb_30
618 [ angles ]
619 ; ai aj ak gromos type
620 -C N H ga_31
621 H N CA ga_17
622 -C N CA ga_30
623 N CA C ga_12
624 CA C +N ga_18
625 CA C O ga_29
626 O C +N ga_32
627 N CA CB ga_12
628 C CA CB ga_12
629 CA CB SG ga_15
630 [ impropers ]
631 ; ai aj ak al gromos type
632 N -C CA H gi_1
633 C CA +N O gi_1
634 CA N C CB gi_2
635 [ dihedrals ]
636 ; ai aj ak al gromos type
637 -CA -C N CA gd_4
638 -C N CA C gd_19
639 N CA C +N gd_20
640 N CA CB SG gd_17
642 [ GLN ]
643 [ atoms ]
644 N N -0.28000 0
645 H H 0.28000 0
646 CA CH1 0.00000 1
647 CB CH2 0.00000 1
648 CG CH2 0.00000 1
649 CD C 0.38000 2
650 OE1 O -0.38000 2
651 NE2 NT -0.83000 3
652 HE21 H 0.41500 3
653 HE22 H 0.41500 3
654 C C 0.380 4
655 O O -0.380 4
656 [ bonds ]
657 N H gb_2
658 N CA gb_20
659 CA C gb_26
660 C O gb_4
661 C +N gb_9
662 CA CB gb_26
663 CB CG gb_26
664 CG CD gb_26
665 CD OE1 gb_4
666 CD NE2 gb_8
667 NE2 HE21 gb_2
668 NE2 HE22 gb_2
669 [ angles ]
670 ; ai aj ak gromos type
671 -C N H ga_31
672 H N CA ga_17
673 -C N CA ga_30
674 N CA C ga_12
675 CA C +N ga_18
676 CA C O ga_29
677 O C +N ga_32
678 N CA CB ga_12
679 C CA CB ga_12
680 CA CB CG ga_14
681 CB CG CD ga_14
682 CG CD OE1 ga_29
683 CG CD NE2 ga_18
684 OE1 CD NE2 ga_32
685 CD NE2 HE21 ga_22
686 CD NE2 HE22 ga_22
687 HE21 NE2 HE22 ga_23
688 [ impropers ]
689 ; ai aj ak al gromos type
690 N -C CA H gi_1
691 C CA +N O gi_1
692 CA N C CB gi_2
693 CD OE1 NE2 CG gi_1
694 NE2 HE21 HE22 CD gi_1
695 [ dihedrals ]
696 ; ai aj ak al gromos type
697 -CA -C N CA gd_4
698 -C N CA C gd_19
699 N CA C +N gd_20
700 N CA CB CG gd_17
701 CA CB CG CD gd_17
702 CB CG CD NE2 gd_20
703 CG CD NE2 HE21 gd_4
705 [ GLU ]
706 [ atoms ]
707 N N -0.28000 0
708 H H 0.28000 0
709 CA CH1 0.00000 1
710 CB CH2 0.00000 1
711 CG CH2 0.00000 1
712 CD C 0.27000 2
713 OE1 OM -0.63500 2
714 OE2 OM -0.63500 2
715 C C 0.380 3
716 O O -0.380 3
717 [ bonds ]
718 N H gb_2
719 N CA gb_20
720 CA C gb_26
721 C O gb_4
722 C +N gb_9
723 CA CB gb_26
724 CB CG gb_26
725 CG CD gb_26
726 CD OE1 gb_5
727 CD OE2 gb_5
728 [ angles ]
729 ; ai aj ak gromos type
730 -C N H ga_31
731 H N CA ga_17
732 -C N CA ga_30
733 N CA C ga_12
734 CA C +N ga_18
735 CA C O ga_29
736 O C +N ga_32
737 N CA CB ga_12
738 C CA CB ga_12
739 CA CB CG ga_14
740 CB CG CD ga_14
741 CG CD OE1 ga_21
742 CG CD OE2 ga_21
743 OE1 CD OE2 ga_37
744 [ impropers ]
745 ; ai aj ak al gromos type
746 N -C CA H gi_1
747 C CA +N O gi_1
748 CA N C CB gi_2
749 CD OE1 OE2 CG gi_1
750 [ dihedrals ]
751 ; ai aj ak al gromos type
752 -CA -C N CA gd_4
753 -C N CA C gd_19
754 N CA C +N gd_20
755 N CA CB CG gd_17
756 CA CB CG CD gd_17
757 CB CG CD OE2 gd_20
759 [ GLUH ]
760 [ atoms ]
761 N N -0.28000 0
762 H H 0.28000 0
763 CA CH1 0.00000 1
764 CB CH2 0.00000 1
765 CG CH2 0.00000 1
766 CD C 0.53000 2
767 OE1 O -0.38000 2
768 OE2 OA -0.54800 2
769 HE2 H 0.39800 2
770 C C 0.380 3
771 O O -0.380 3
772 [ bonds ]
773 N H gb_2
774 N CA gb_20
775 CA C gb_26
776 C O gb_4
777 C +N gb_9
778 CA CB gb_26
779 CB CG gb_26
780 CG CD gb_26
781 CD OE1 gb_4
782 CD OE2 gb_12
783 OE2 HE2 gb_1
784 [ angles ]
785 ; ai aj ak gromos type
786 -C N H ga_31
787 H N CA ga_17
788 -C N CA ga_30
789 N CA C ga_12
790 CA C +N ga_18
791 CA C O ga_29
792 O C +N ga_32
793 N CA CB ga_12
794 C CA CB ga_12
795 CA CB CG ga_14
796 CB CG CD ga_14
797 CG CD OE1 ga_29
798 CG CD OE2 ga_18
799 OE1 CD OE2 ga_32
800 CD OE2 HE2 ga_11
801 [ impropers ]
802 ; ai aj ak al gromos type
803 N -C CA H gi_1
804 C CA +N O gi_1
805 CA N C CB gi_2
806 CD OE1 OE2 CG gi_1
807 [ dihedrals ]
808 ; ai aj ak al gromos type
809 -CA -C N CA gd_4
810 -C N CA C gd_19
811 N CA C +N gd_20
812 N CA CB CG gd_17
813 CA CB CG CD gd_17
814 CB CG CD OE2 gd_20
815 CG CD OE2 HE2 gd_3
817 [ GLY ]
818 [ atoms ]
819 N N -0.28000 0
820 H H 0.28000 0
821 CA CH2 0.00000 1
822 C C 0.380 2
823 O O -0.380 2
824 [ bonds ]
825 N H gb_2
826 N CA gb_20
827 CA C gb_26
828 C O gb_4
829 C +N gb_9
830 [ angles ]
831 ; ai aj ak gromos type
832 -C N H ga_31
833 H N CA ga_17
834 -C N CA ga_30
835 N CA C ga_12
836 CA C +N ga_18
837 CA C O ga_29
838 O C +N ga_32
839 [ impropers ]
840 ; ai aj ak al gromos type
841 N -C CA H gi_1
842 C CA +N O gi_1
843 [ dihedrals ]
844 ; ai aj ak al gromos type
845 -CA -C N CA gd_4
846 -C N CA C gd_19
847 N CA C +N gd_20
849 [ HISA ]
850 [ atoms ]
851 N N -0.28000 0
852 H H 0.28000 0
853 CA CH1 0.00000 1
854 CB CH2 0.00000 1
855 CG C 0.00000 2
856 ND1 NR 0.00000 2
857 HD1 H 0.19000 2
858 CD2 CR1 0.13000 2
859 CE1 CR1 0.26000 2
860 NE2 NR -0.58000 2
861 C C 0.380 3
862 O O -0.380 3
863 [ bonds ]
864 N H gb_2
865 N CA gb_20
866 CA C gb_26
867 C O gb_4
868 C +N gb_9
869 CA CB gb_26
870 CB CG gb_26
871 CG ND1 gb_9
872 CG CD2 gb_9
873 ND1 HD1 gb_2
874 ND1 CE1 gb_9
875 CD2 NE2 gb_9
876 CE1 NE2 gb_9
877 [ exclusions ]
878 ; ai aj
879 CB HD1
880 CB CE1
881 CB NE2
882 HD1 CD2
883 HD1 NE2
884 [ angles ]
885 ; ai aj ak gromos type
886 -C N H ga_31
887 H N CA ga_17
888 -C N CA ga_30
889 N CA C ga_12
890 CA C +N ga_18
891 CA C O ga_29
892 O C +N ga_32
893 N CA CB ga_12
894 C CA CB ga_12
895 CA CB CG ga_14
896 CB CG ND1 ga_36
897 CB CG CD2 ga_36
898 ND1 CG CD2 ga_6
899 CG ND1 HD1 ga_35
900 CG ND1 CE1 ga_6
901 HD1 ND1 CE1 ga_35
902 CG CD2 NE2 ga_6
903 ND1 CE1 NE2 ga_6
904 CD2 NE2 CE1 ga_6
905 [ impropers ]
906 ; ai aj ak al gromos type
907 N -C CA H gi_1
908 C CA +N O gi_1
909 CA N C CB gi_2
910 CG ND1 CD2 CB gi_1
911 CD2 CG ND1 CE1 gi_1
912 ND1 CG CD2 NE2 gi_1
913 CG ND1 CE1 NE2 gi_1
914 CG CD2 NE2 CE1 gi_1
915 CD2 NE2 CE1 ND1 gi_1
916 ND1 CG CE1 HD1 gi_1
917 [ dihedrals ]
918 ; ai aj ak al gromos type
919 -CA -C N CA gd_4
920 -C N CA C gd_19
921 N CA C +N gd_20
922 N CA CB CG gd_17
923 CA CB CG ND1 gd_20
925 [ HISB ]
926 [ atoms ]
927 N N -0.28000 0
928 H H 0.28000 0
929 CA CH1 0.00000 1
930 CB CH2 0.00000 1
931 CG C 0.13000 2
932 ND1 NR -0.58000 2
933 CD2 CR1 0.00000 2
934 CE1 CR1 0.26000 2
935 NE2 NR 0.00000 2
936 HE2 H 0.19000 2
937 C C 0.380 3
938 O O -0.380 3
939 [ bonds ]
940 N H gb_2
941 N CA gb_20
942 CA C gb_26
943 C O gb_4
944 C +N gb_9
945 CA CB gb_26
946 CB CG gb_26
947 CG ND1 gb_9
948 CG CD2 gb_9
949 ND1 CE1 gb_9
950 CD2 NE2 gb_9
951 CE1 NE2 gb_9
952 NE2 HE2 gb_2
953 [ exclusions ]
954 ; ai aj
955 CB CE1
956 CB NE2
957 CG HE2
958 ND1 HE2
959 [ angles ]
960 ; ai aj ak gromos type
961 -C N H ga_31
962 H N CA ga_17
963 -C N CA ga_30
964 N CA C ga_12
965 CA C +N ga_18
966 CA C O ga_29
967 O C +N ga_32
968 N CA CB ga_12
969 C CA CB ga_12
970 CA CB CG ga_14
971 CB CG ND1 ga_36
972 CB CG CD2 ga_36
973 ND1 CG CD2 ga_6
974 CG ND1 CE1 ga_6
975 CG CD2 NE2 ga_6
976 ND1 CE1 NE2 ga_6
977 CD2 NE2 CE1 ga_6
978 CD2 NE2 HE2 ga_35
979 CE1 NE2 HE2 ga_35
980 [ impropers ]
981 ; ai aj ak al gromos type
982 N -C CA H gi_1
983 C CA +N O gi_1
984 CA N C CB gi_2
985 CG ND1 CD2 CB gi_1
986 CD2 CG ND1 CE1 gi_1
987 ND1 CG CD2 NE2 gi_1
988 CG ND1 CE1 NE2 gi_1
989 CG CD2 NE2 CE1 gi_1
990 CD2 NE2 CE1 ND1 gi_1
991 NE2 CD2 CE1 HE2 gi_1
992 [ dihedrals ]
993 ; ai aj ak al gromos type
994 -CA -C N CA gd_4
995 -C N CA C gd_19
996 N CA C +N gd_20
997 N CA CB CG gd_17
998 CA CB CG ND1 gd_20
1000 [ HISH ]
1001 [ atoms ]
1002 N N -0.28000 0
1003 H H 0.28000 0
1004 CA CH1 0.00000 1
1005 CB CH2 0.00000 1
1006 CG C -0.05000 2
1007 ND1 NR 0.38000 2
1008 HD1 H 0.30000 2
1009 CD2 CR1 0.00000 2
1010 CE1 CR1 -0.24000 2
1011 NE2 NR 0.31000 2
1012 HE2 H 0.30000 2
1013 C C 0.380 3
1014 O O -0.380 3
1015 [ bonds ]
1016 N H gb_2
1017 N CA gb_20
1018 CA C gb_26
1019 C O gb_4
1020 C +N gb_9
1021 CA CB gb_26
1022 CB CG gb_26
1023 CG ND1 gb_9
1024 CG CD2 gb_9
1025 ND1 HD1 gb_2
1026 ND1 CE1 gb_9
1027 CD2 NE2 gb_9
1028 CE1 NE2 gb_9
1029 NE2 HE2 gb_2
1030 [ exclusions ]
1031 ; ai aj
1032 CB HD1
1033 CB CE1
1034 CB NE2
1035 CG HE2
1036 ND1 HE2
1037 HD1 CD2
1038 HD1 NE2
1039 [ angles ]
1040 ; ai aj ak gromos type
1041 -C N H ga_31
1042 H N CA ga_17
1043 -C N CA ga_30
1044 N CA C ga_12
1045 CA C +N ga_18
1046 CA C O ga_29
1047 O C +N ga_32
1048 N CA CB ga_12
1049 C CA CB ga_12
1050 CA CB CG ga_14
1051 CB CG ND1 ga_36
1052 CB CG CD2 ga_36
1053 ND1 CG CD2 ga_6
1054 CG ND1 HD1 ga_35
1055 CG ND1 CE1 ga_6
1056 HD1 ND1 CE1 ga_35
1057 CG CD2 NE2 ga_6
1058 ND1 CE1 NE2 ga_6
1059 CD2 NE2 CE1 ga_6
1060 CD2 NE2 HE2 ga_35
1061 CE1 NE2 HE2 ga_35
1062 [ impropers ]
1063 ; ai aj ak al gromos type
1064 N -C CA H gi_1
1065 C CA +N O gi_1
1066 CA N C CB gi_2
1067 CG ND1 CD2 CB gi_1
1068 CD2 CG ND1 CE1 gi_1
1069 ND1 CG CD2 NE2 gi_1
1070 CG ND1 CE1 NE2 gi_1
1071 CG CD2 NE2 CE1 gi_1
1072 CD2 NE2 CE1 ND1 gi_1
1073 ND1 CG CE1 HD1 gi_1
1074 NE2 CD2 CE1 HE2 gi_1
1075 [ dihedrals ]
1076 ; ai aj ak al gromos type
1077 -CA -C N CA gd_4
1078 -C N CA C gd_19
1079 N CA C +N gd_20
1080 N CA CB CG gd_17
1081 CA CB CG ND1 gd_20
1083 [ HIS1 ]
1084 [ atoms ]
1085 N N -0.28000 0
1086 H H 0.28000 0
1087 CA CH1 0.00000 1
1088 CB CH2 0.00000 1
1089 CG C 0.00000 2
1090 ND1 NR 0.00000 2
1091 HD1 H 0.19000 2
1092 CD2 CR1 0.13000 2
1093 CE1 CR1 0.26000 2
1094 NE2 NR -0.58000 2
1095 C C 0.380 3
1096 O O -0.380 3
1097 [ bonds ]
1098 N H gb_2
1099 N CA gb_20
1100 CA C gb_26
1101 C O gb_4
1102 C +N gb_9
1103 CA CB gb_26
1104 CB CG gb_26
1105 CG ND1 gb_9
1106 CG CD2 gb_9
1107 ND1 HD1 gb_2
1108 ND1 CE1 gb_9
1109 CD2 NE2 gb_9
1110 CE1 NE2 gb_9
1111 [ exclusions ]
1112 ; ai aj
1113 CB HD1
1114 CB CE1
1115 CB NE2
1116 HD1 CD2
1117 HD1 NE2
1118 [ angles ]
1119 ; ai aj ak gromos type
1120 -C N H ga_31
1121 H N CA ga_17
1122 -C N CA ga_30
1123 N CA C ga_12
1124 CA C +N ga_18
1125 CA C O ga_29
1126 O C +N ga_32
1127 N CA CB ga_12
1128 C CA CB ga_12
1129 CA CB CG ga_14
1130 CB CG ND1 ga_36
1131 CB CG CD2 ga_36
1132 ND1 CG CD2 ga_6
1133 CG ND1 HD1 ga_35
1134 CG ND1 CE1 ga_6
1135 HD1 ND1 CE1 ga_35
1136 CG CD2 NE2 ga_6
1137 ND1 CE1 NE2 ga_6
1138 CD2 NE2 CE1 ga_6
1139 CD2 NE2 -C ga_33
1140 CE1 NE2 -C ga_33
1141 NE2 -C -CA ga_16
1142 [ impropers ]
1143 ; ai aj ak al gromos type
1144 N -C CA H gi_1
1145 C CA +N O gi_1
1146 CA N C CB gi_2
1147 CG ND1 CD2 CB gi_1
1148 CD2 CG ND1 CE1 gi_1
1149 ND1 CG CD2 NE2 gi_1
1150 CG ND1 CE1 NE2 gi_1
1151 CG CD2 NE2 CE1 gi_1
1152 CD2 NE2 CE1 ND1 gi_1
1153 ND1 CG CE1 HD1 gi_1
1154 [ dihedrals ]
1155 ; ai aj ak al gromos type
1156 -CA -C N CA gd_4
1157 -C N CA C gd_19
1158 N CA C +N gd_20
1159 N CA CB CG gd_17
1160 CA CB CG ND1 gd_20
1161 CD2 NE2 -C -CA gd_18
1163 [ HYP ]
1164 [ atoms ]
1165 N N 0.00000 0
1166 CA CH1 0.00000 1
1167 CB CH2 0.00000 1
1168 CG CH1 0.15000 2
1169 OD1 OA -0.54800 2
1170 HD1 H 0.39800 2
1171 CD2 CH2 0.00000 3
1172 C C 0.380 4
1173 O O -0.380 4
1174 [ bonds ]
1175 N CA gb_20
1176 CA C gb_26
1177 C O gb_4
1178 C +N gb_9
1179 CA CB gb_26
1180 CB CG gb_26
1181 CG OD1 gb_17
1182 OD1 HD1 gb_1
1183 CG CD2 gb_26
1184 CD2 N gb_20
1185 [ angles ]
1186 ; ai aj ak gromos type
1187 -C N CA ga_30
1188 N CA C ga_12
1189 CA C +N ga_18
1190 CA C O ga_29
1191 O C +N ga_32
1192 N CA CB ga_12
1193 C CA CB ga_12
1194 CA CB CG ga_12
1195 CB CG OD1 ga_12
1196 CB CG CD2 ga_12
1197 CG OD1 HD1 ga_11
1198 OD1 CG CD2 ga_12
1199 CG CD2 N ga_12
1200 CD2 N CA ga_20
1201 -C N CD2 ga_30
1202 [ impropers ]
1203 ; ai aj ak al gromos type
1204 N -C CA CD2 gi_1
1205 C CA +N O gi_1
1206 CA N C CB gi_2
1207 CG CD2 CB OD1 gi_2
1208 [ dihedrals ]
1209 ; ai aj ak al gromos type
1210 -CA -C N CA gd_4
1211 -C N CA C gd_19
1212 N CA C +N gd_20
1213 N CA CB CG gd_17
1214 CA CB CG CD2 gd_17
1215 CB CG CD2 N gd_17
1216 CG CD2 N CA gd_19
1217 CB CG OD1 HD1 gd_12
1219 [ ILE ]
1220 [ atoms ]
1221 N N -0.28000 0
1222 H H 0.28000 0
1223 CA CH1 0.00000 1
1224 CB CH1 0.00000 2
1225 CG1 CH2 0.00000 2
1226 CG2 CH3 0.00000 2
1227 CD CH3 0.00000 2
1228 C C 0.380 3
1229 O O -0.380 3
1230 [ bonds ]
1231 N H gb_2
1232 N CA gb_20
1233 CA C gb_26
1234 C O gb_4
1235 C +N gb_9
1236 CA CB gb_26
1237 CB CG1 gb_26
1238 CB CG2 gb_26
1239 CG1 CD gb_26
1240 [ angles ]
1241 ; ai aj ak gromos type
1242 -C N H ga_31
1243 H N CA ga_17
1244 -C N CA ga_30
1245 N CA C ga_12
1246 CA C +N ga_18
1247 CA C O ga_29
1248 O C +N ga_32
1249 N CA CB ga_12
1250 C CA CB ga_12
1251 CA CB CG1 ga_14
1252 CA CB CG2 ga_14
1253 CG1 CB CG2 ga_14
1254 CB CG1 CD ga_14
1255 [ impropers ]
1256 ; ai aj ak al gromos type
1257 N -C CA H gi_1
1258 C CA +N O gi_1
1259 CA N C CB gi_2
1260 CB CG1 CG2 CA gi_2
1261 [ dihedrals ]
1262 ; ai aj ak al gromos type
1263 -CA -C N CA gd_4
1264 -C N CA C gd_19
1265 N CA C +N gd_20
1266 N CA CB CG1 gd_17
1267 CA CB CG1 CD gd_17
1269 [ LEU ]
1270 [ atoms ]
1271 N N -0.28000 0
1272 H H 0.28000 0
1273 CA CH1 0.00000 1
1274 CB CH2 0.00000 1
1275 CG CH1 0.00000 2
1276 CD1 CH3 0.00000 2
1277 CD2 CH3 0.00000 2
1278 C C 0.380 3
1279 O O -0.380 3
1280 [ bonds ]
1281 N H gb_2
1282 N CA gb_20
1283 CA C gb_26
1284 C O gb_4
1285 C +N gb_9
1286 CA CB gb_26
1287 CB CG gb_26
1288 CG CD1 gb_26
1289 CG CD2 gb_26
1290 [ angles ]
1291 ; ai aj ak gromos type
1292 -C N H ga_31
1293 H N CA ga_17
1294 -C N CA ga_30
1295 N CA C ga_12
1296 CA C +N ga_18
1297 CA C O ga_29
1298 O C +N ga_32
1299 N CA CB ga_12
1300 C CA CB ga_12
1301 CA CB CG ga_14
1302 CB CG CD1 ga_14
1303 CB CG CD2 ga_14
1304 CD1 CG CD2 ga_14
1305 [ impropers ]
1306 ; ai aj ak al gromos type
1307 N -C CA H gi_1
1308 C CA +N O gi_1
1309 CA N C CB gi_2
1310 CG CD2 CD1 CB gi_2
1311 [ dihedrals ]
1312 ; ai aj ak al gromos type
1313 -CA -C N CA gd_4
1314 -C N CA C gd_19
1315 N CA C +N gd_20
1316 N CA CB CG gd_17
1317 CA CB CG CD1 gd_17
1319 [ LYS ]
1320 [ atoms ]
1321 N N -0.28000 0
1322 H H 0.28000 0
1323 CA CH1 0.00000 1
1324 CB CH2 0.00000 1
1325 CG CH2 0.00000 2
1326 CD CH2 0.00000 2
1327 CE CH2 0.00000 3
1328 NZ NT -0.83000 3
1329 HZ1 H 0.41500 3
1330 HZ2 H 0.41500 3
1331 C C 0.380 4
1332 O O -0.380 4
1333 [ bonds ]
1334 N H gb_2
1335 N CA gb_20
1336 CA C gb_26
1337 C O gb_4
1338 C +N gb_9
1339 CA CB gb_26
1340 CB CG gb_26
1341 CG CD gb_26
1342 CD CE gb_26
1343 CE NZ gb_20
1344 NZ HZ1 gb_2
1345 NZ HZ2 gb_2
1346 [ angles ]
1347 ; ai aj ak gromos type
1348 -C N H ga_31
1349 H N CA ga_17
1350 -C N CA ga_30
1351 N CA C ga_12
1352 CA C +N ga_18
1353 CA C O ga_29
1354 O C +N ga_32
1355 N CA CB ga_12
1356 C CA CB ga_12
1357 CA CB CG ga_14
1358 CB CG CD ga_14
1359 CG CD CE ga_14
1360 CD CE NZ ga_14
1361 CE NZ HZ1 ga_10
1362 CE NZ HZ2 ga_10
1363 HZ1 NZ HZ2 ga_9
1364 [ impropers ]
1365 ; ai aj ak al gromos type
1366 N -C CA H gi_1
1367 C CA +N O gi_1
1368 CA N C CB gi_2
1369 [ dihedrals ]
1370 ; ai aj ak al gromos type
1371 -CA -C N CA gd_4
1372 -C N CA C gd_19
1373 N CA C +N gd_20
1374 N CA CB CG gd_17
1375 CA CB CG CD gd_17
1376 CB CG CD CE gd_17
1377 CG CD CE NZ gd_17
1378 CD CE NZ HZ1 gd_14
1380 [ LYSH ]
1381 [ atoms ]
1382 N N -0.28000 0
1383 H H 0.28000 0
1384 CA CH1 0.00000 1
1385 CB CH2 0.00000 1
1386 CG CH2 0.00000 2
1387 CD CH2 0.00000 2
1388 CE CH2 0.12700 3
1389 NZ NL 0.12900 3
1390 HZ1 H 0.24800 3
1391 HZ2 H 0.24800 3
1392 HZ3 H 0.24800 3
1393 C C 0.380 4
1394 O O -0.380 4
1395 [ bonds ]
1396 N H gb_2
1397 N CA gb_20
1398 CA C gb_26
1399 C O gb_4
1400 C +N gb_9
1401 CA CB gb_26
1402 CB CG gb_26
1403 CG CD gb_26
1404 CD CE gb_26
1405 CE NZ gb_20
1406 NZ HZ1 gb_2
1407 NZ HZ2 gb_2
1408 NZ HZ3 gb_2
1409 [ angles ]
1410 ; ai aj ak gromos type
1411 -C N H ga_31
1412 H N CA ga_17
1413 -C N CA ga_30
1414 N CA C ga_12
1415 CA C +N ga_18
1416 CA C O ga_29
1417 O C +N ga_32
1418 N CA CB ga_12
1419 C CA CB ga_12
1420 CA CB CG ga_14
1421 CB CG CD ga_14
1422 CG CD CE ga_14
1423 CD CE NZ ga_14
1424 CE NZ HZ1 ga_10
1425 CE NZ HZ2 ga_10
1426 CE NZ HZ3 ga_10
1427 HZ1 NZ HZ2 ga_9
1428 HZ1 NZ HZ3 ga_9
1429 HZ2 NZ HZ3 ga_9
1430 [ impropers ]
1431 ; ai aj ak al gromos type
1432 N -C CA H gi_1
1433 C CA +N O gi_1
1434 CA N C CB gi_2
1435 [ dihedrals ]
1436 ; ai aj ak al gromos type
1437 -CA -C N CA gd_4
1438 -C N CA C gd_19
1439 N CA C +N gd_20
1440 N CA CB CG gd_17
1441 CA CB CG CD gd_17
1442 CB CG CD CE gd_17
1443 CG CD CE NZ gd_17
1444 CD CE NZ HZ1 gd_14
1446 [ MET ]
1447 [ atoms ]
1448 N N -0.28000 0
1449 H H 0.28000 0
1450 CA CH1 0.00000 1
1451 CB CH2 0.00000 1
1452 CG CH2 0.00000 1
1453 SD S 0.00000 2
1454 CE CH3 0.00000 2
1455 C C 0.380 3
1456 O O -0.380 3
1457 [ bonds ]
1458 N H gb_2
1459 N CA gb_20
1460 CA C gb_26
1461 C O gb_4
1462 C +N gb_9
1463 CA CB gb_26
1464 CB CG gb_26
1465 CG SD gb_30
1466 SD CE gb_29
1467 [ angles ]
1468 ; ai aj ak gromos type
1469 -C N H ga_31
1470 H N CA ga_17
1471 -C N CA ga_30
1472 N CA C ga_12
1473 CA C +N ga_18
1474 CA C O ga_29
1475 O C +N ga_32
1476 N CA CB ga_12
1477 C CA CB ga_12
1478 CA CB CG ga_14
1479 CB CG SD ga_15
1480 CG SD CE ga_3
1481 [ impropers ]
1482 ; ai aj ak al gromos type
1483 N -C CA H gi_1
1484 C CA +N O gi_1
1485 CA N C CB gi_2
1486 [ dihedrals ]
1487 ; ai aj ak al gromos type
1488 -CA -C N CA gd_4
1489 -C N CA C gd_19
1490 N CA C +N gd_20
1491 N CA CB CG gd_17
1492 CA CB CG SD gd_17
1493 CB CG SD CE gd_13
1495 [ PHE ]
1496 [ atoms ]
1497 N N -0.28000 0
1498 H H 0.28000 0
1499 CA CH1 0.00000 1
1500 CB CH2 0.00000 1
1501 CG C 0.00000 1
1502 CD1 C -0.10000 2
1503 HD1 HC 0.10000 2
1504 CD2 C -0.10000 3
1505 HD2 HC 0.10000 3
1506 CE1 C -0.10000 4
1507 HE1 HC 0.10000 4
1508 CE2 C -0.10000 5
1509 HE2 HC 0.10000 5
1510 CZ C -0.10000 6
1511 HZ HC 0.10000 6
1512 C C 0.380 7
1513 O O -0.380 7
1514 [ bonds ]
1515 N H gb_2
1516 N CA gb_20
1517 CA C gb_26
1518 C O gb_4
1519 C +N gb_9
1520 CA CB gb_26
1521 CB CG gb_26
1522 CG CD1 gb_15
1523 CG CD2 gb_15
1524 CD1 HD1 gb_3
1525 CD1 CE1 gb_15
1526 CD2 HD2 gb_3
1527 CD2 CE2 gb_15
1528 CE1 HE1 gb_3
1529 CE1 CZ gb_15
1530 CE2 HE2 gb_3
1531 CE2 CZ gb_15
1532 CZ HZ gb_3
1533 [ exclusions ]
1534 ; ai aj
1535 CB HD1
1536 CB HD2
1537 CB CE1
1538 CB CE2
1539 CG HE1
1540 CG HE2
1541 CG CZ
1542 CD1 HD2
1543 CD1 CE2
1544 CD1 HZ
1545 HD1 CD2
1546 HD1 HE1
1547 HD1 CZ
1548 CD2 CE1
1549 CD2 HZ
1550 HD2 HE2
1551 HD2 CZ
1552 CE1 HE2
1553 HE1 CE2
1554 HE1 HZ
1555 HE2 HZ
1556 [ angles ]
1557 ; ai aj ak gromos type
1558 -C N H ga_31
1559 H N CA ga_17
1560 -C N CA ga_30
1561 N CA C ga_12
1562 CA C +N ga_18
1563 CA C O ga_29
1564 O C +N ga_32
1565 N CA CB ga_12
1566 C CA CB ga_12
1567 CA CB CG ga_14
1568 CB CG CD1 ga_26
1569 CB CG CD2 ga_26
1570 CD1 CG CD2 ga_26
1571 CG CD1 HD1 ga_24
1572 HD1 CD1 CE1 ga_24
1573 CG CD1 CE1 ga_26
1574 CG CD2 HD2 ga_24
1575 HD2 CD2 CE2 ga_24
1576 CG CD2 CE2 ga_26
1577 CD1 CE1 HE1 ga_24
1578 HE1 CE1 CZ ga_24
1579 CD1 CE1 CZ ga_26
1580 CD2 CE2 HE2 ga_24
1581 HE2 CE2 CZ ga_24
1582 CD2 CE2 CZ ga_26
1583 CE1 CZ HZ ga_24
1584 CE2 CZ HZ ga_24
1585 CE1 CZ CE2 ga_26
1586 [ impropers ]
1587 ; ai aj ak al gromos type
1588 N -C CA H gi_1
1589 C CA +N O gi_1
1590 CA N C CB gi_2
1591 CG CD1 CD2 CB gi_1
1592 CD2 CG CD1 CE1 gi_1
1593 CD1 CG CD2 CE2 gi_1
1594 CG CD1 CE1 CZ gi_1
1595 CG CD2 CE2 CZ gi_1
1596 CD1 CE1 CZ CE2 gi_1
1597 CD2 CE2 CZ CE1 gi_1
1598 CD1 CG CE1 HD1 gi_1
1599 CD2 CG CE2 HD2 gi_1
1600 CE1 CZ CD1 HE1 gi_1
1601 CE2 CZ CD2 HE2 gi_1
1602 CZ CE1 CE2 HZ gi_1
1603 [ dihedrals ]
1604 ; ai aj ak al gromos type
1605 -CA -C N CA gd_4
1606 -C N CA C gd_19
1607 N CA C +N gd_20
1608 N CA CB CG gd_17
1609 CA CB CG CD1 gd_20
1611 [ PRO ]
1612 [ atoms ]
1613 N N 0.00000 0
1614 CA CH1 0.00000 1
1615 CB CH2 0.00000 1
1616 CG CH2 0.00000 2
1617 CD CH2 0.00000 2
1618 C C 0.380 3
1619 O O -0.380 3
1620 [ bonds ]
1621 N CA gb_20
1622 CA C gb_26
1623 C O gb_4
1624 C +N gb_9
1625 CA CB gb_26
1626 CB CG gb_26
1627 CG CD gb_26
1628 CD N gb_20
1629 [ angles ]
1630 ; ai aj ak gromos type
1631 -C N CA ga_30
1632 N CA C ga_12
1633 CA C +N ga_18
1634 CA C O ga_29
1635 O C +N ga_32
1636 N CA CB ga_12
1637 C CA CB ga_12
1638 CA CB CG ga_12
1639 CB CG CD ga_12
1640 CG CD N ga_12
1641 CD N CA ga_20
1642 -C N CD ga_30
1643 [ impropers ]
1644 ; ai aj ak al gromos type
1645 N -C CA CD gi_1
1646 C CA +N O gi_1
1647 CA N C CB gi_2
1648 [ dihedrals ]
1649 ; ai aj ak al gromos type
1650 -CA -C N CA gd_4
1651 -C N CA C gd_19
1652 N CA C +N gd_20
1653 N CA CB CG gd_17
1654 CA CB CG CD gd_17
1655 CB CG CD N gd_17
1656 CG CD N CA gd_19
1658 [ SER ]
1659 [ atoms ]
1660 N N -0.28000 0
1661 H H 0.28000 0
1662 CA CH1 0.00000 1
1663 CB CH2 0.15000 2
1664 OG OA -0.54800 2
1665 HG H 0.39800 2
1666 C C 0.380 3
1667 O O -0.380 3
1668 [ bonds ]
1669 N H gb_2
1670 N CA gb_20
1671 CA C gb_26
1672 C O gb_4
1673 C +N gb_9
1674 CA CB gb_26
1675 CB OG gb_17
1676 OG HG gb_1
1677 [ angles ]
1678 ; ai aj ak gromos type
1679 -C N H ga_31
1680 H N CA ga_17
1681 -C N CA ga_30
1682 N CA C ga_12
1683 CA C +N ga_18
1684 CA C O ga_29
1685 O C +N ga_32
1686 N CA CB ga_12
1687 C CA CB ga_12
1688 CA CB OG ga_12
1689 CB OG HG ga_11
1690 [ impropers ]
1691 ; ai aj ak al gromos type
1692 N -C CA H gi_1
1693 C CA +N O gi_1
1694 CA N C CB gi_2
1695 [ dihedrals ]
1696 ; ai aj ak al gromos type
1697 -CA -C N CA gd_4
1698 -C N CA C gd_19
1699 N CA C +N gd_20
1700 N CA CB OG gd_17
1701 CA CB OG HG gd_12
1703 [ THR ]
1704 [ atoms ]
1705 N N -0.28000 0
1706 H H 0.28000 0
1707 CA CH1 0.00000 1
1708 CB CH1 0.15000 2
1709 OG1 OA -0.54800 2
1710 HG1 H 0.39800 2
1711 CG2 CH3 0.00000 3
1712 C C 0.380 4
1713 O O -0.380 4
1714 [ bonds ]
1715 N H gb_2
1716 N CA gb_20
1717 CA C gb_26
1718 C O gb_4
1719 C +N gb_9
1720 CA CB gb_26
1721 CB OG1 gb_17
1722 CB CG2 gb_26
1723 OG1 HG1 gb_1
1724 [ angles ]
1725 ; ai aj ak gromos type
1726 -C N H ga_31
1727 H N CA ga_17
1728 -C N CA ga_30
1729 N CA C ga_12
1730 CA C +N ga_18
1731 CA C O ga_29
1732 O C +N ga_32
1733 N CA CB ga_12
1734 C CA CB ga_12
1735 CA CB OG1 ga_12
1736 CA CB CG2 ga_14
1737 OG1 CB CG2 ga_14
1738 CB OG1 HG1 ga_11
1739 [ impropers ]
1740 ; ai aj ak al gromos type
1741 N -C CA H gi_1
1742 C CA +N O gi_1
1743 CA N C CB gi_2
1744 CB OG1 CG2 CA gi_2
1745 [ dihedrals ]
1746 ; ai aj ak al gromos type
1747 -CA -C N CA gd_4
1748 -C N CA C gd_19
1749 N CA C +N gd_20
1750 N CA CB OG1 gd_17
1751 CA CB OG1 HG1 gd_12
1753 [ TRP ]
1754 [ atoms ]
1755 N N -0.28000 0
1756 H H 0.28000 0
1757 CA CH1 0.00000 1
1758 CB CH2 0.00000 1
1759 CG C -0.14000 2
1760 CD1 C -0.10000 2
1761 HD1 HC 0.10000 2
1762 CD2 C 0.00000 2
1763 NE1 NR -0.05000 2
1764 HE1 H 0.19000 2
1765 CE2 C 0.00000 2
1766 CE3 C -0.10000 3
1767 HE3 HC 0.10000 3
1768 CZ2 C -0.10000 4
1769 HZ2 HC 0.10000 4
1770 CZ3 C -0.10000 5
1771 HZ3 HC 0.10000 5
1772 CH2 C -0.10000 6
1773 HH2 HC 0.10000 6
1774 C C 0.380 7
1775 O O -0.380 7
1776 [ bonds ]
1777 N H gb_2
1778 N CA gb_20
1779 CA C gb_26
1780 C O gb_4
1781 C +N gb_9
1782 CA CB gb_26
1783 CB CG gb_26
1784 CG CD1 gb_9
1785 CG CD2 gb_15
1786 CD1 HD1 gb_3
1787 CD1 NE1 gb_9
1788 CD2 CE2 gb_15
1789 CD2 CE3 gb_15
1790 NE1 HE1 gb_2
1791 NE1 CE2 gb_9
1792 CE2 CZ2 gb_15
1793 CE3 HE3 gb_3
1794 CE3 CZ3 gb_15
1795 CZ2 HZ2 gb_3
1796 CZ2 CH2 gb_15
1797 CZ3 HZ3 gb_3
1798 CZ3 CH2 gb_15
1799 CH2 HH2 gb_3
1800 [ exclusions ]
1801 ; ai aj
1802 CB HD1
1803 CB NE1
1804 CB CE2
1805 CB CE3
1806 CG HE1
1807 CG HE3
1808 CG CZ2
1809 CG CZ3
1810 CD1 CE3
1811 CD1 CZ2
1812 HD1 CD2
1813 HD1 HE1
1814 HD1 CE2
1815 CD2 HE1
1816 CD2 HZ2
1817 CD2 HZ3
1818 CD2 CH2
1819 NE1 CE3
1820 NE1 HZ2
1821 NE1 CH2
1822 HE1 CZ2
1823 CE2 HE3
1824 CE2 CZ3
1825 CE2 HH2
1826 CE3 CZ2
1827 CE3 HH2
1828 HE3 HZ3
1829 HE3 CH2
1830 CZ2 HZ3
1831 HZ2 CZ3
1832 HZ2 HH2
1833 HZ3 HH2
1834 [ angles ]
1835 ; ai aj ak gromos type
1836 -C N H ga_31
1837 H N CA ga_17
1838 -C N CA ga_30
1839 N CA C ga_12
1840 CA C +N ga_18
1841 CA C O ga_29
1842 O C +N ga_32
1843 N CA CB ga_12
1844 C CA CB ga_12
1845 CA CB CG ga_14
1846 CB CG CD1 ga_36
1847 CB CG CD2 ga_36
1848 CD1 CG CD2 ga_6
1849 CG CD1 HD1 ga_35
1850 HD1 CD1 NE1 ga_35
1851 CG CD1 NE1 ga_6
1852 CG CD2 CE2 ga_6
1853 CD1 NE1 CE2 ga_6
1854 CD1 NE1 HE1 ga_35
1855 HE1 NE1 CE2 ga_35
1856 NE1 CE2 CD2 ga_6
1857 CG CD2 CE3 ga_38
1858 NE1 CE2 CZ2 ga_38
1859 CD2 CE2 CZ2 ga_26
1860 CE2 CD2 CE3 ga_26
1861 CD2 CE3 HE3 ga_24
1862 HE3 CE3 CZ3 ga_24
1863 CD2 CE3 CZ3 ga_26
1864 CE2 CZ2 HZ2 ga_24
1865 HZ2 CZ2 CH2 ga_24
1866 CE2 CZ2 CH2 ga_26
1867 CE3 CZ3 HZ3 ga_24
1868 HZ3 CZ3 CH2 ga_24
1869 CE3 CZ3 CH2 ga_26
1870 CZ2 CH2 HH2 ga_24
1871 HH2 CH2 CZ3 ga_24
1872 CZ2 CH2 CZ3 ga_26
1873 [ impropers ]
1874 ; ai aj ak al gromos type
1875 N -C CA H gi_1
1876 C CA +N O gi_1
1877 CA N C CB gi_2
1878 CG CD1 CD2 CB gi_1
1879 CD2 CG CD1 NE1 gi_1
1880 CD1 CG CD2 CE2 gi_1
1881 CG CD1 NE1 CE2 gi_1
1882 CG CD2 CE2 NE1 gi_1
1883 CD1 NE1 CE2 CD2 gi_1
1884 CD1 CG NE1 HD1 gi_1
1885 NE1 CD1 CE2 HE1 gi_1
1886 CD2 CE2 CE3 CG gi_1
1887 CE2 CD2 CZ2 NE1 gi_1
1888 CE3 CD2 CE2 CZ2 gi_1
1889 CD2 CE2 CZ2 CH2 gi_1
1890 CE2 CD2 CE3 CZ3 gi_1
1891 CE2 CZ2 CH2 CZ3 gi_1
1892 CD2 CE3 CZ3 CH2 gi_1
1893 CE3 CZ3 CH2 CZ2 gi_1
1894 CE3 CD2 CZ3 HE3 gi_1
1895 CZ2 CE2 CH2 HZ2 gi_1
1896 CZ3 CE3 CH2 HZ3 gi_1
1897 CH2 CZ2 CZ3 HH2 gi_1
1898 [ dihedrals ]
1899 ; ai aj ak al gromos type
1900 -CA -C N CA gd_4
1901 -C N CA C gd_19
1902 N CA C +N gd_20
1903 N CA CB CG gd_17
1904 CA CB CG CD2 gd_20
1906 [ TYR ]
1907 [ atoms ]
1908 N N -0.28000 0
1909 H H 0.28000 0
1910 CA CH1 0.00000 1
1911 CB CH2 0.00000 1
1912 CG C 0.00000 1
1913 CD1 C -0.10000 2
1914 HD1 HC 0.10000 2
1915 CD2 C -0.10000 3
1916 HD2 HC 0.10000 3
1917 CE1 C -0.10000 4
1918 HE1 HC 0.10000 4
1919 CE2 C -0.10000 5
1920 HE2 HC 0.10000 5
1921 CZ C 0.15000 6
1922 OH OA -0.54800 6
1923 HH H 0.39800 6
1924 C C 0.380 7
1925 O O -0.380 7
1926 [ bonds ]
1927 N H gb_2
1928 N CA gb_20
1929 CA C gb_26
1930 C O gb_4
1931 C +N gb_9
1932 CA CB gb_26
1933 CB CG gb_26
1934 CG CD1 gb_15
1935 CG CD2 gb_15
1936 CD1 HD1 gb_3
1937 CD1 CE1 gb_15
1938 CD2 HD2 gb_3
1939 CD2 CE2 gb_15
1940 CE1 HE1 gb_3
1941 CE1 CZ gb_15
1942 CE2 HE2 gb_3
1943 CE2 CZ gb_15
1944 CZ OH gb_12
1945 OH HH gb_1
1946 [ exclusions ]
1947 ; ai aj
1948 CB HD1
1949 CB HD2
1950 CB CE1
1951 CB CE2
1952 CG HE1
1953 CG HE2
1954 CG CZ
1955 CD1 HD2
1956 CD1 CE2
1957 CD1 OH
1958 HD1 CD2
1959 HD1 HE1
1960 HD1 CZ
1961 CD2 CE1
1962 CD2 OH
1963 HD2 HE2
1964 HD2 CZ
1965 CE1 HE2
1966 HE1 CE2
1967 HE1 OH
1968 HE2 OH
1969 [ angles ]
1970 ; ai aj ak gromos type
1971 -C N H ga_31
1972 H N CA ga_17
1973 -C N CA ga_30
1974 N CA C ga_12
1975 CA C +N ga_18
1976 CA C O ga_29
1977 O C +N ga_32
1978 N CA CB ga_12
1979 C CA CB ga_12
1980 CA CB CG ga_14
1981 CB CG CD1 ga_26
1982 CB CG CD2 ga_26
1983 CD1 CG CD2 ga_26
1984 CG CD1 HD1 ga_24
1985 HD1 CD1 CE1 ga_24
1986 CG CD1 CE1 ga_26
1987 CG CD2 HD2 ga_24
1988 HD2 CD2 CE2 ga_24
1989 CG CD2 CE2 ga_26
1990 CD1 CE1 HE1 ga_24
1991 HE1 CE1 CZ ga_24
1992 CD1 CE1 CZ ga_26
1993 CD2 CE2 HE2 ga_24
1994 HE2 CE2 CZ ga_24
1995 CD2 CE2 CZ ga_26
1996 CE1 CZ CE2 ga_26
1997 CE1 CZ OH ga_26
1998 CE2 CZ OH ga_26
1999 CZ OH HH ga_11
2000 [ impropers ]
2001 ; ai aj ak al gromos type
2002 N -C CA H gi_1
2003 C CA +N O gi_1
2004 CA N C CB gi_2
2005 CG CD1 CD2 CB gi_1
2006 CD2 CG CD1 CE1 gi_1
2007 CD1 CG CD2 CE2 gi_1
2008 CG CD1 CE1 CZ gi_1
2009 CG CD2 CE2 CZ gi_1
2010 CD1 CE1 CZ CE2 gi_1
2011 CD2 CE2 CZ CE1 gi_1
2012 CD1 CG CE1 HD1 gi_1
2013 CD2 CG CE2 HD2 gi_1
2014 CE1 CZ CD1 HE1 gi_1
2015 CE2 CZ CD2 HE2 gi_1
2016 CZ CE1 CE2 OH gi_1
2017 [ dihedrals ]
2018 ; ai aj ak al gromos type
2019 -CA -C N CA gd_4
2020 -C N CA C gd_19
2021 N CA C +N gd_20
2022 N CA CB CG gd_17
2023 CA CB CG CD1 gd_20
2024 CE1 CZ OH HH gd_2
2026 [ VAL ]
2027 [ atoms ]
2028 N N -0.28000 0
2029 H H 0.28000 0
2030 CA CH1 0.00000 1
2031 CB CH1 0.00000 1
2032 CG1 CH3 0.00000 1
2033 CG2 CH3 0.00000 1
2034 C C 0.380 2
2035 O O -0.380 2
2036 [ bonds ]
2037 N H gb_2
2038 N CA gb_20
2039 CA C gb_26
2040 C O gb_4
2041 C +N gb_9
2042 CA CB gb_26
2043 CB CG1 gb_26
2044 CB CG2 gb_26
2045 [ angles ]
2046 ; ai aj ak gromos type
2047 -C N H ga_31
2048 H N CA ga_17
2049 -C N CA ga_30
2050 N CA C ga_12
2051 CA C +N ga_18
2052 CA C O ga_29
2053 O C +N ga_32
2054 N CA CB ga_12
2055 C CA CB ga_12
2056 CA CB CG1 ga_14
2057 CA CB CG2 ga_14
2058 CG1 CB CG2 ga_14
2059 [ impropers ]
2060 ; ai aj ak al gromos type
2061 N -C CA H gi_1
2062 C CA +N O gi_1
2063 CA N C CB gi_2
2064 CB CG2 CG1 CA gi_2
2065 [ dihedrals ]
2066 ; ai aj ak al gromos type
2067 -CA -C N CA gd_4
2068 -C N CA C gd_19
2069 N CA C +N gd_20
2070 N CA CB CG1 gd_17
2072 [ DALA ]
2073 [ atoms ]
2074 N N -0.28000 0
2075 H H 0.28000 0
2076 CA CH1 0.00000 1
2077 CB CH3 0.00000 1
2078 C C 0.380 2
2079 O O -0.380 2
2080 [ bonds ]
2081 N H gb_2
2082 N CA gb_20
2083 CA C gb_26
2084 C O gb_4
2085 C +N gb_9
2086 CA CB gb_26
2087 [ angles ]
2088 ; ai aj ak gromos type
2089 -C N H ga_31
2090 H N CA ga_17
2091 -C N CA ga_30
2092 N CA C ga_12
2093 CA C +N ga_18
2094 CA C O ga_29
2095 O C +N ga_32
2096 N CA CB ga_12
2097 C CA CB ga_12
2098 [ impropers ]
2099 ; ai aj ak al gromos type
2100 N -C CA H gi_1
2101 C CA +N O gi_1
2102 CA C N CB gi_2
2103 [ dihedrals ]
2104 ; ai aj ak al gromos type
2105 -CA -C N CA gd_4
2106 -C N CA C gd_19
2107 N CA C +N gd_20
2109 [ ABU ]
2110 [ atoms ]
2111 N N -0.28000 0
2112 H H 0.28000 0
2113 CA CH1 0.00000 1
2114 CB CH2 0.00000 1
2115 CG CH3 0.00000 1
2116 C C 0.380 2
2117 O O -0.380 2
2118 [ bonds ]
2119 N H gb_2
2120 N CA gb_20
2121 CA C gb_26
2122 C O gb_4
2123 C +N gb_9
2124 CA CB gb_26
2125 CB CG gb_26
2126 [ angles ]
2127 ; ai aj ak gromos type
2128 -C N H ga_31
2129 H N CA ga_17
2130 -C N CA ga_30
2131 N CA C ga_12
2132 CA C +N ga_18
2133 CA C O ga_29
2134 O C +N ga_32
2135 N CA CB ga_12
2136 C CA CB ga_12
2137 CA CB CG ga_14
2138 [ impropers ]
2139 ; ai aj ak al gromos type
2140 N -C CA H gi_1
2141 C CA +N O gi_1
2142 CA N C CB gi_2
2143 [ dihedrals ]
2144 ; ai aj ak al gromos type
2145 -CA -C N CA gd_4
2146 -C N CA C gd_19
2147 N CA C +N gd_20
2148 N CA CB CG gd_17
2150 [ MEBMT ]
2151 [ atoms ]
2152 N N 0.00000 0
2153 CN CH3 0.00000 0
2154 CA CH1 0.00000 1
2155 CB CH1 0.15000 2
2156 OG1 OA -0.54800 2
2157 HG1 H 0.39800 2
2158 CG2 CH1 0.00000 3
2159 CD1 CH3 0.00000 3
2160 CD2 CH2 0.00000 3
2161 CE CR1 0.00000 4
2162 CZ CR1 0.00000 4
2163 CH CH3 0.00000 4
2164 C C 0.380 5
2165 O O -0.380 5
2166 [ bonds ]
2167 N CN gb_20
2168 N CA gb_20
2169 CA C gb_26
2170 C O gb_4
2171 C +N gb_9
2172 CA CB gb_26
2173 CB OG1 gb_17
2174 OG1 HG1 gb_1
2175 CB CG2 gb_26
2176 CG2 CD1 gb_26
2177 CG2 CD2 gb_26
2178 CD2 CE gb_26
2179 CE CZ gb_9
2180 CZ CH gb_26
2181 [ angles ]
2182 ; ai aj ak gromos type
2183 -C N CN ga_21
2184 CN N CA ga_29
2185 -C N CA ga_30
2186 N CA C ga_12
2187 CA C +N ga_18
2188 CA C O ga_29
2189 O C +N ga_32
2190 N CA CB ga_12
2191 C CA CB ga_12
2192 CA CB OG1 ga_12
2193 CA CB CG2 ga_14
2194 OG1 CB CG2 ga_14
2195 CB OG1 HG1 ga_11
2196 CB CG2 CD1 ga_14
2197 CB CG2 CD2 ga_14
2198 CD2 CG2 CD1 ga_14
2199 CG2 CD2 CE ga_14
2200 CD2 CE CZ ga_26
2201 CE CZ CH ga_26
2202 [ impropers ]
2203 ; ai aj ak al gromos type
2204 N -C CA CN gi_1
2205 C CA +N O gi_1
2206 CA N C CB gi_2
2207 CB OG1 CG2 CA gi_2
2208 CG2 CD1 CD2 CB gi_2
2209 [ dihedrals ]
2210 ; ai aj ak al gromos type
2211 -CA -C N CA gd_4
2212 -C N CA C gd_19
2213 N CA C +N gd_20
2214 N CA CB CG2 gd_17
2215 CA CB OG1 HG1 gd_12
2216 CA CB CG2 CD2 gd_17
2217 CB CG2 CD2 CE gd_17
2218 CG2 CD2 CE CZ gd_20
2219 CD2 CE CZ CH gd_4
2221 [ MELEU ]
2222 [ atoms ]
2223 N N 0.00000 0
2224 CN CH3 0.00000 0
2225 CA CH1 0.00000 1
2226 CB CH2 0.00000 1
2227 CG CH1 0.00000 2
2228 CD1 CH3 0.00000 2
2229 CD2 CH3 0.00000 2
2230 C C 0.380 3
2231 O O -0.380 3
2232 [ bonds ]
2233 N CN gb_20
2234 N CA gb_20
2235 CA C gb_26
2236 C O gb_4
2237 C +N gb_9
2238 CA CB gb_26
2239 CB CG gb_26
2240 CG CD1 gb_26
2241 CG CD2 gb_26
2242 [ angles ]
2243 ; ai aj ak gromos type
2244 -C N CN ga_21
2245 CN N CA ga_29
2246 -C N CA ga_30
2247 N CA C ga_12
2248 CA C +N ga_18
2249 CA C O ga_29
2250 O C +N ga_32
2251 N CA CB ga_12
2252 C CA CB ga_12
2253 CA CB CG ga_14
2254 CB CG CD1 ga_14
2255 CB CG CD2 ga_14
2256 CD1 CG CD2 ga_14
2257 [ impropers ]
2258 ; ai aj ak al gromos type
2259 N -C CA CN gi_1
2260 C CA +N O gi_1
2261 CA N C CB gi_2
2262 CG CD2 CD1 CB gi_2
2263 [ dihedrals ]
2264 ; ai aj ak al gromos type
2265 -CA -C N CA gd_4
2266 -C N CA C gd_19
2267 N CA C +N gd_20
2268 N CA CB CG gd_17
2269 CA CB CG CD1 gd_17
2271 [ MEVAL ]
2272 [ atoms ]
2273 N N 0.00000 0
2274 CN CH3 0.00000 0
2275 CA CH1 0.00000 1
2276 CB CH1 0.00000 1
2277 CG1 CH3 0.00000 1
2278 CG2 CH3 0.00000 1
2279 C C 0.380 2
2280 O O -0.380 2
2281 [ bonds ]
2282 N CN gb_20
2283 N CA gb_20
2284 CA C gb_26
2285 C O gb_4
2286 C +N gb_9
2287 CA CB gb_26
2288 CB CG1 gb_26
2289 CB CG2 gb_26
2290 [ angles ]
2291 ; ai aj ak gromos type
2292 -C N CN ga_21
2293 CN N CA ga_29
2294 -C N CA ga_30
2295 N CA C ga_12
2296 CA C +N ga_18
2297 CA C O ga_29
2298 O C +N ga_32
2299 N CA CB ga_12
2300 C CA CB ga_12
2301 CA CB CG1 ga_14
2302 CA CB CG2 ga_14
2303 CG1 CB CG2 ga_14
2304 [ impropers ]
2305 ; ai aj ak al gromos type
2306 N -C CA CN gi_1
2307 C CA +N O gi_1
2308 CA N C CB gi_2
2309 CB CG2 CG1 CA gi_2
2310 [ dihedrals ]
2311 ; ai aj ak al gromos type
2312 -CA -C N CA gd_4
2313 -C N CA C gd_19
2314 N CA C +N gd_20
2315 N CA CB CG1 gd_17
2317 [ SAR ]
2318 [ atoms ]
2319 N N 0.00000 0
2320 CN CH3 0.00000 0
2321 CA CH2 0.00000 1
2322 C C 0.380 2
2323 O O -0.380 2
2324 [ bonds ]
2325 N CN gb_20
2326 N CA gb_20
2327 CA C gb_26
2328 C O gb_4
2329 C +N gb_9
2330 [ angles ]
2331 ; ai aj ak gromos type
2332 -C N CN ga_21
2333 CN N CA ga_29
2334 -C N CA ga_30
2335 N CA C ga_12
2336 CA C +N ga_18
2337 CA C O ga_29
2338 O C +N ga_32
2339 [ impropers ]
2340 ; ai aj ak al gromos type
2341 N -C CA CN gi_1
2342 C CA +N O gi_1
2343 [ dihedrals ]
2344 ; ai aj ak al gromos type
2345 -CA -C N CA gd_4
2346 -C N CA C gd_19
2347 N CA C +N gd_20
2349 [ DADE ]
2350 [ atoms ]
2351 P P 0.99000 0
2352 O1P OM -0.63500 0
2353 O2P OM -0.63500 0
2354 O5* OA -0.36000 0
2355 C5* CH2 0.00000 1
2356 C4* CH1 0.16000 2
2357 O4* OA -0.36000 2
2358 C1* CH1 0.20000 2
2359 N9 NR -0.20000 3
2360 C4 C 0.20000 3
2361 N3 NR -0.36000 4
2362 C2 CR1 0.36000 4
2363 N1 NR -0.36000 5
2364 C6 C 0.36000 5
2365 N6 NT -0.83000 6
2366 H61 H 0.41500 6
2367 H62 H 0.41500 6
2368 C5 C 0.00000 7
2369 N7 NR -0.36000 7
2370 C8 CR1 0.36000 7
2371 C2* CH2 0.00000 8
2372 C3* CH1 0.000 8
2373 O3* OA -0.360 9
2374 [ bonds ]
2375 P O1P gb_23
2376 P O2P gb_23
2377 P O5* gb_27
2378 O5* C5* gb_19
2379 C5* C4* gb_25
2380 C4* O4* gb_19
2381 C4* C3* gb_25
2382 O4* C1* gb_19
2383 C1* N9 gb_21
2384 C1* C2* gb_25
2385 N9 C4 gb_9
2386 N9 C8 gb_9
2387 C4 N3 gb_11
2388 C4 C5 gb_15
2389 N3 C2 gb_6
2390 C2 N1 gb_6
2391 N1 C6 gb_11
2392 C6 N6 gb_8
2393 C6 C5 gb_15
2394 N6 H61 gb_2
2395 N6 H62 gb_2
2396 C5 N7 gb_9
2397 N7 C8 gb_9
2398 C2* C3* gb_25
2399 C3* O3* gb_19
2400 O3* +P gb_27
2401 [ exclusions ]
2402 ; ai aj
2403 C1* N3
2404 C1* C5
2405 C1* N7
2406 N9 C2
2407 N9 C6
2408 C4 N1
2409 C4 N6
2410 N3 C6
2411 N3 N7
2412 N3 C8
2413 C2 N6
2414 C2 C5
2415 N1 N7
2416 C6 C8
2417 N6 N7
2418 [ angles ]
2419 ; ai aj ak gromos type
2420 -O P O1P ga_13
2421 -O P O2P ga_13
2422 -O P O5* ga_4
2423 O1P P O2P ga_28
2424 O1P P O5* ga_13
2425 O2P P O5* ga_13
2426 P O5* C5* ga_25
2427 O5* C5* C4* ga_8
2428 C5* C4* O4* ga_8
2429 C5* C4* C3* ga_7
2430 O4* C4* C3* ga_8
2431 C4* O4* C1* ga_9
2432 O4* C1* N9 ga_8
2433 O4* C1* C2* ga_8
2434 N9 C1* C2* ga_8
2435 C1* N9 C4 ga_36
2436 C1* N9 C8 ga_36
2437 C4 N9 C8 ga_6
2438 N9 C4 N3 ga_38
2439 N9 C4 C5 ga_6
2440 N3 C4 C5 ga_26
2441 C4 N3 C2 ga_26
2442 N3 C2 N1 ga_26
2443 C2 N1 C6 ga_26
2444 N1 C6 N6 ga_26
2445 N1 C6 C5 ga_26
2446 N6 C6 C5 ga_26
2447 C6 N6 H61 ga_22
2448 C6 N6 H62 ga_22
2449 H61 N6 H62 ga_23
2450 C4 C5 C6 ga_26
2451 C4 C5 N7 ga_6
2452 C6 C5 N7 ga_38
2453 C5 N7 C8 ga_6
2454 N9 C8 N7 ga_6
2455 C1* C2* C3* ga_7
2456 C4* C3* C2* ga_7
2457 C4* C3* O3* ga_8
2458 C2* C3* O3* ga_8
2459 C3* O3* +P ga_25
2460 [ impropers ]
2461 ; ai aj ak al gromos type
2462 C4* O4* C5* C3* gi_2
2463 C3* C2* O3* C4* gi_2
2464 C1* N9 O4* C2* gi_2
2465 N9 C8 C4 C1* gi_1
2466 C4 N9 C8 N7 gi_1
2467 C8 N9 C4 C5 gi_1
2468 N9 C8 N7 C5 gi_1
2469 N9 C4 C5 N7 gi_1
2470 C8 N7 C5 C4 gi_1
2471 C4 N9 N3 C5 gi_1
2472 C5 C6 N7 C4 gi_1
2473 N3 C4 C5 C6 gi_1
2474 C4 C5 C6 N1 gi_1
2475 C5 C4 N3 C2 gi_1
2476 C5 C6 N1 C2 gi_1
2477 C4 N3 C2 N1 gi_1
2478 N3 C2 N1 C6 gi_1
2479 C6 C5 N1 N6 gi_1
2480 N6 H61 H62 C6 gi_1
2481 [ dihedrals ]
2482 ; ai aj ak al gromos type
2483 -C -O P O5* gd_11
2484 -C -O P O5* gd_9
2485 -O P O5* C5* gd_11
2486 -O P O5* C5* gd_9
2487 P O5* C5* C4* gd_14
2488 O5* C5* C4* C3* gd_17
2489 O5* C5* C4* C3* gd_7
2490 O5* C5* C4* O4* gd_8
2491 C5* C4* C3* C2* gd_17
2492 C5* C4* C3* O3* gd_7
2493 O4* C4* C3* C2* gd_7
2494 O4* C4* C3* O3* gd_8
2495 C4* C3* C2* C1* gd_17
2496 O3* C3* C2* C1* gd_7
2497 C3* C2* C1* O4* gd_17
2498 C3* C2* C1* O4* gd_7
2499 C3* C4* O4* C1* gd_14
2500 C4* O4* C1* C2* gd_14
2501 O4* C1* N9 C4 gd_6
2502 C5 C6 N6 H61 gd_4
2503 C4* C3* O3* +P gd_14
2505 [ DGUA ]
2506 [ atoms ]
2507 P P 0.99000 0
2508 O1P OM -0.63500 0
2509 O2P OM -0.63500 0
2510 O5* OA -0.36000 0
2511 C5* CH2 0.00000 1
2512 C4* CH1 0.16000 2
2513 O4* OA -0.36000 2
2514 C1* CH1 0.20000 2
2515 N9 NR -0.20000 3
2516 C4 C 0.20000 3
2517 N3 NR -0.36000 4
2518 C2 C 0.36000 4
2519 N2 NT -0.83000 5
2520 H21 H 0.41500 5
2521 H22 H 0.41500 5
2522 N1 NR -0.28000 6
2523 H1 H 0.28000 6
2524 C6 C 0.38000 7
2525 O6 O -0.38000 7
2526 C5 C 0.00000 8
2527 N7 NR -0.36000 8
2528 C8 CR1 0.36000 8
2529 C2* CH2 0.00000 9
2530 C3* CH1 0.000 9
2531 O3* OA -0.360 10
2532 [ bonds ]
2533 P O1P gb_23
2534 P O2P gb_23
2535 P O5* gb_27
2536 O5* C5* gb_19
2537 C5* C4* gb_25
2538 C4* O4* gb_19
2539 C4* C3* gb_25
2540 O4* C1* gb_19
2541 C1* N9 gb_21
2542 C1* C2* gb_25
2543 N9 C4 gb_9
2544 N9 C8 gb_9
2545 C4 N3 gb_11
2546 C4 C5 gb_15
2547 N3 C2 gb_11
2548 C2 N2 gb_8
2549 C2 N1 gb_16
2550 N2 H21 gb_2
2551 N2 H22 gb_2
2552 N1 H1 gb_2
2553 N1 C6 gb_16
2554 C6 O6 gb_4
2555 C6 C5 gb_15
2556 C5 N7 gb_9
2557 N7 C8 gb_9
2558 C2* C3* gb_25
2559 C3* O3* gb_19
2560 O3* +P gb_27
2561 [ exclusions ]
2562 ; ai aj
2563 C1* N3
2564 C1* C5
2565 C1* N7
2566 N9 C2
2567 N9 C6
2568 C4 N2
2569 C4 N1
2570 C4 O6
2571 N3 H1
2572 N3 C6
2573 N3 N7
2574 N3 C8
2575 C2 O6
2576 C2 C5
2577 N2 H1
2578 N2 C6
2579 N1 N7
2580 H1 O6
2581 H1 C5
2582 C6 C8
2583 O6 N7
2584 [ angles ]
2585 ; ai aj ak gromos type
2586 -O P O1P ga_13
2587 -O P O2P ga_13
2588 -O P O5* ga_4
2589 O1P P O2P ga_28
2590 O1P P O5* ga_13
2591 O2P P O5* ga_13
2592 P O5* C5* ga_25
2593 O5* C5* C4* ga_8
2594 C5* C4* O4* ga_8
2595 C5* C4* C3* ga_7
2596 O4* C4* C3* ga_8
2597 C4* O4* C1* ga_9
2598 O4* C1* N9 ga_8
2599 O4* C1* C2* ga_8
2600 N9 C1* C2* ga_8
2601 C1* N9 C4 ga_36
2602 C1* N9 C8 ga_36
2603 C4 N9 C8 ga_6
2604 N9 C4 N3 ga_38
2605 N9 C4 C5 ga_6
2606 N3 C4 C5 ga_26
2607 C4 N3 C2 ga_26
2608 N3 C2 N2 ga_26
2609 N3 C2 N1 ga_26
2610 N2 C2 N1 ga_26
2611 C2 N2 H21 ga_22
2612 C2 N2 H22 ga_22
2613 H21 N2 H22 ga_23
2614 C2 N1 H1 ga_24
2615 C2 N1 C6 ga_26
2616 H1 N1 C6 ga_24
2617 N1 C6 O6 ga_26
2618 N1 C6 C5 ga_26
2619 O6 C6 C5 ga_26
2620 C4 C5 C6 ga_26
2621 C4 C5 N7 ga_6
2622 C6 C5 N7 ga_38
2623 C5 N7 C8 ga_6
2624 N9 C8 N7 ga_6
2625 C1* C2* C3* ga_7
2626 C4* C3* C2* ga_7
2627 C4* C3* O3* ga_8
2628 C2* C3* O3* ga_8
2629 C3* O3* +P ga_25
2630 [ impropers ]
2631 ; ai aj ak al gromos type
2632 C4* O4* C5* C3* gi_2
2633 C3* C2* O3* C4* gi_2
2634 C1* N9 O4* C2* gi_2
2635 N9 C8 C4 C1* gi_1
2636 C4 N9 C8 N7 gi_1
2637 C8 N9 C4 C5 gi_1
2638 N9 C8 N7 C5 gi_1
2639 N9 C4 C5 N7 gi_1
2640 C8 N7 C5 C4 gi_1
2641 C4 N9 N3 C5 gi_1
2642 C5 C6 N7 C4 gi_1
2643 N3 C4 C5 C6 gi_1
2644 C4 C5 C6 N1 gi_1
2645 C5 C4 N3 C2 gi_1
2646 C5 C6 N1 C2 gi_1
2647 C4 N3 C2 N1 gi_1
2648 N3 C2 N1 C6 gi_1
2649 C2 N1 N3 N2 gi_1
2650 N2 H21 H22 C2 gi_1
2651 N1 C6 C2 H1 gi_1
2652 C6 C5 N1 O6 gi_1
2653 [ dihedrals ]
2654 ; ai aj ak al gromos type
2655 -C -O P O5* gd_11
2656 -C -O P O5* gd_9
2657 -O P O5* C5* gd_11
2658 -O P O5* C5* gd_9
2659 P O5* C5* C4* gd_14
2660 O5* C5* C4* C3* gd_17
2661 O5* C5* C4* C3* gd_7
2662 O5* C5* C4* O4* gd_8
2663 C5* C4* C3* C2* gd_17
2664 C5* C4* C3* O3* gd_7
2665 O4* C4* C3* C2* gd_7
2666 O4* C4* C3* O3* gd_8
2667 C4* C3* C2* C1* gd_17
2668 O3* C3* C2* C1* gd_7
2669 C3* C2* C1* O4* gd_17
2670 C3* C2* C1* O4* gd_7
2671 C3* C4* O4* C1* gd_14
2672 C4* O4* C1* C2* gd_14
2673 O4* C1* N9 C4 gd_6
2674 N3 C2 N2 H21 gd_4
2675 C4* C3* O3* +P gd_14
2677 [ DCYT ]
2678 [ atoms ]
2679 P P 0.99000 0
2680 O1P OM -0.63500 0
2681 O2P OM -0.63500 0
2682 O5* OA -0.36000 0
2683 C5* CH2 0.00000 1
2684 C4* CH1 0.16000 2
2685 O4* OA -0.36000 2
2686 C1* CH1 0.20000 2
2687 N1 NR -0.20000 3
2688 C6 CR1 0.20000 3
2689 C2 C 0.38000 4
2690 O2 O -0.38000 4
2691 N3 NR -0.36000 5
2692 C4 C 0.36000 5
2693 N4 NT -0.83000 6
2694 H41 H 0.41500 6
2695 H42 H 0.41500 6
2696 C5 CR1 0.00000 7
2697 C2* CH2 0.00000 8
2698 C3* CH1 0.000 8
2699 O3* OA -0.360 9
2700 [ bonds ]
2701 P O1P gb_23
2702 P O2P gb_23
2703 P O5* gb_27
2704 O5* C5* gb_19
2705 C5* C4* gb_25
2706 C4* O4* gb_19
2707 C4* C3* gb_25
2708 O4* C1* gb_19
2709 C1* N1 gb_22
2710 C1* C2* gb_25
2711 N1 C6 gb_16
2712 N1 C2 gb_16
2713 C6 C5 gb_15
2714 C2 O2 gb_4
2715 C2 N3 gb_11
2716 N3 C4 gb_11
2717 C4 N4 gb_8
2718 C4 C5 gb_15
2719 N4 H41 gb_2
2720 N4 H42 gb_2
2721 C2* C3* gb_25
2722 C3* O3* gb_19
2723 O3* +P gb_27
2724 [ exclusions ]
2725 ; ai aj
2726 C1* O2
2727 C1* N3
2728 C1* C5
2729 N1 C4
2730 C6 O2
2731 C6 N3
2732 C6 N4
2733 C2 N4
2734 C2 C5
2735 O2 C4
2736 [ angles ]
2737 ; ai aj ak gromos type
2738 -O P O1P ga_13
2739 -O P O2P ga_13
2740 -O P O5* ga_4
2741 O1P P O2P ga_28
2742 O1P P O5* ga_13
2743 O2P P O5* ga_13
2744 P O5* C5* ga_25
2745 O5* C5* C4* ga_8
2746 C5* C4* O4* ga_8
2747 C5* C4* C3* ga_7
2748 O4* C4* C3* ga_8
2749 C4* O4* C1* ga_9
2750 O4* C1* N1 ga_8
2751 O4* C1* C2* ga_8
2752 N1 C1* C2* ga_7
2753 C1* N1 C6 ga_26
2754 C1* N1 C2 ga_26
2755 C6 N1 C2 ga_26
2756 N1 C6 C5 ga_26
2757 N1 C2 O2 ga_26
2758 N1 C2 N3 ga_26
2759 O2 C2 N3 ga_26
2760 C2 N3 C4 ga_26
2761 N3 C4 N4 ga_26
2762 N3 C4 C5 ga_26
2763 N4 C4 C5 ga_26
2764 C4 N4 H41 ga_22
2765 C4 N4 H42 ga_22
2766 H41 N4 H42 ga_23
2767 C6 C5 C4 ga_26
2768 C1* C2* C3* ga_7
2769 C4* C3* C2* ga_7
2770 C4* C3* O3* ga_8
2771 C2* C3* O3* ga_8
2772 C3* O3* +P ga_25
2773 [ impropers ]
2774 ; ai aj ak al gromos type
2775 C4* O4* C5* C3* gi_2
2776 C3* C2* O3* C4* gi_2
2777 C1* N1 O4* C2* gi_2
2778 N1 C6 C2 C1* gi_1
2779 C2 N1 C6 C5 gi_1
2780 C6 N1 C2 N3 gi_1
2781 N1 C6 C5 C4 gi_1
2782 N1 C2 N3 C4 gi_1
2783 C6 C5 C4 N3 gi_1
2784 C2 N3 C4 C5 gi_1
2785 C2 N3 N1 O2 gi_1
2786 C4 C5 N3 N4 gi_1
2787 N4 H41 H42 C4 gi_1
2788 [ dihedrals ]
2789 ; ai aj ak al gromos type
2790 -C -O P O5* gd_11
2791 -C -O P O5* gd_9
2792 -O P O5* C5* gd_11
2793 -O P O5* C5* gd_9
2794 P O5* C5* C4* gd_14
2795 O5* C5* C4* C3* gd_17
2796 O5* C5* C4* C3* gd_7
2797 O5* C5* C4* O4* gd_8
2798 C5* C4* C3* C2* gd_17
2799 C5* C4* C3* O3* gd_7
2800 O4* C4* C3* C2* gd_7
2801 O4* C4* C3* O3* gd_8
2802 C4* C3* C2* C1* gd_17
2803 O3* C3* C2* C1* gd_7
2804 C3* C2* C1* O4* gd_17
2805 C3* C2* C1* O4* gd_7
2806 C3* C4* O4* C1* gd_14
2807 C4* O4* C1* C2* gd_14
2808 O4* C1* N1 C2 gd_6
2809 N3 C4 N4 H41 gd_4
2810 C4* C3* O3* +P gd_14
2812 [ DTHY ]
2813 [ atoms ]
2814 P P 0.99000 0
2815 O1P OM -0.63500 0
2816 O2P OM -0.63500 0
2817 O5* OA -0.36000 0
2818 C5* CH2 0.00000 1
2819 C4* CH1 0.16000 2
2820 O4* OA -0.36000 2
2821 C1* CH1 0.20000 2
2822 N1 NR -0.20000 3
2823 C6 CR1 0.20000 3
2824 C2 C 0.38000 4
2825 O2 O -0.38000 4
2826 N3 NR -0.28000 5
2827 H3 H 0.28000 5
2828 C4 C 0.38000 6
2829 O4 O -0.38000 6
2830 C5 C 0.00000 7
2831 C5M CH3 0.00000 7
2832 C2* CH2 0.00000 8
2833 C3* CH1 0.000 8
2834 O3* OA -0.360 9
2835 [ bonds ]
2836 P O1P gb_23
2837 P O2P gb_23
2838 P O5* gb_27
2839 O5* C5* gb_19
2840 C5* C4* gb_25
2841 C4* O4* gb_19
2842 C4* C3* gb_25
2843 O4* C1* gb_19
2844 C1* N1 gb_22
2845 C1* C2* gb_25
2846 N1 C6 gb_16
2847 N1 C2 gb_16
2848 C6 C5 gb_15
2849 C2 O2 gb_4
2850 C2 N3 gb_16
2851 N3 H3 gb_2
2852 N3 C4 gb_16
2853 C4 O4 gb_4
2854 C4 C5 gb_15
2855 C5 C5M gb_26
2856 C2* C3* gb_25
2857 C3* O3* gb_19
2858 O3* +P gb_27
2859 [ exclusions ]
2860 ; ai aj
2861 C1* O2
2862 C1* N3
2863 C1* C5
2864 N1 H3
2865 N1 C4
2866 N1 C5M
2867 C6 O2
2868 C6 N3
2869 C6 O4
2870 C2 O4
2871 C2 C5
2872 O2 H3
2873 O2 C4
2874 N3 C5M
2875 H3 O4
2876 H3 C5
2877 O4 C5M
2878 [ angles ]
2879 ; ai aj ak gromos type
2880 -O P O1P ga_13
2881 -O P O2P ga_13
2882 -O P O5* ga_4
2883 O1P P O2P ga_28
2884 O1P P O5* ga_13
2885 O2P P O5* ga_13
2886 P O5* C5* ga_25
2887 O5* C5* C4* ga_8
2888 C5* C4* O4* ga_8
2889 C5* C4* C3* ga_7
2890 O4* C4* C3* ga_8
2891 C4* O4* C1* ga_9
2892 O4* C1* N1 ga_8
2893 O4* C1* C2* ga_8
2894 N1 C1* C2* ga_7
2895 C1* N1 C6 ga_26
2896 C1* N1 C2 ga_26
2897 C6 N1 C2 ga_26
2898 N1 C6 C5 ga_26
2899 N1 C2 O2 ga_26
2900 N1 C2 N3 ga_26
2901 O2 C2 N3 ga_26
2902 C2 N3 H3 ga_24
2903 C2 N3 C4 ga_26
2904 H3 N3 C4 ga_24
2905 N3 C4 O4 ga_26
2906 N3 C4 C5 ga_26
2907 O4 C4 C5 ga_26
2908 C6 C5 C4 ga_26
2909 C6 C5 C5M ga_26
2910 C4 C5 C5M ga_26
2911 C1* C2* C3* ga_7
2912 C4* C3* C2* ga_7
2913 C4* C3* O3* ga_8
2914 C2* C3* O3* ga_8
2915 C3* O3* +P ga_25
2916 [ impropers ]
2917 ; ai aj ak al gromos type
2918 C4* O4* C5* C3* gi_2
2919 C3* C2* O3* C4* gi_2
2920 C1* N1 O4* C2* gi_2
2921 N1 C6 C2 C1* gi_1
2922 C2 N1 C6 C5 gi_1
2923 C6 N1 C2 N3 gi_1
2924 N1 C6 C5 C4 gi_1
2925 N1 C2 N3 C4 gi_1
2926 C6 C5 C4 N3 gi_1
2927 C2 N3 C4 C5 gi_1
2928 C2 N3 N1 O2 gi_1
2929 N3 C4 C2 H3 gi_1
2930 C4 C5 N3 O4 gi_1
2931 C5 C6 C4 C5M gi_1
2932 [ dihedrals ]
2933 ; ai aj ak al gromos type
2934 -C -O P O5* gd_11
2935 -C -O P O5* gd_9
2936 -O P O5* C5* gd_11
2937 -O P O5* C5* gd_9
2938 P O5* C5* C4* gd_14
2939 O5* C5* C4* C3* gd_17
2940 O5* C5* C4* C3* gd_7
2941 O5* C5* C4* O4* gd_8
2942 C5* C4* C3* C2* gd_17
2943 C5* C4* C3* O3* gd_7
2944 O4* C4* C3* C2* gd_7
2945 O4* C4* C3* O3* gd_8
2946 C4* C3* C2* C1* gd_17
2947 O3* C3* C2* C1* gd_7
2948 C3* C2* C1* O4* gd_17
2949 C3* C2* C1* O4* gd_7
2950 C3* C4* O4* C1* gd_14
2951 C4* O4* C1* C2* gd_14
2952 O4* C1* N1 C2 gd_6
2953 C4* C3* O3* +P gd_14
2955 [ ADE ]
2956 [ atoms ]
2957 P P 0.99000 0
2958 O1P OM -0.63500 0
2959 O2P OM -0.63500 0
2960 O5* OA -0.36000 0
2961 C5* CH2 0.00000 1
2962 C4* CH1 0.16000 2
2963 O4* OA -0.36000 2
2964 C1* CH1 0.20000 2
2965 N9 NR -0.20000 3
2966 C4 C 0.20000 3
2967 N3 NR -0.36000 4
2968 C2 CR1 0.36000 4
2969 N1 NR -0.36000 5
2970 C6 C 0.36000 5
2971 N6 NT -0.83000 6
2972 H61 H 0.41500 6
2973 H62 H 0.41500 6
2974 C5 C 0.00000 7
2975 N7 NR -0.36000 7
2976 C8 CR1 0.36000 7
2977 C2* CH1 0.15000 8
2978 O2* OA -0.54800 8
2979 H2* H 0.39800 8
2980 C3* CH1 0.000 9
2981 O3* OA -0.360 10
2982 [ bonds ]
2983 P O1P gb_23
2984 P O2P gb_23
2985 P O5* gb_27
2986 O5* C5* gb_19
2987 C5* C4* gb_25
2988 C4* O4* gb_19
2989 C4* C3* gb_25
2990 O4* C1* gb_19
2991 C1* N9 gb_21
2992 C1* C2* gb_25
2993 N9 C4 gb_9
2994 N9 C8 gb_9
2995 C4 N3 gb_11
2996 C4 C5 gb_15
2997 N3 C2 gb_6
2998 C2 N1 gb_6
2999 N1 C6 gb_11
3000 C6 N6 gb_8
3001 C6 C5 gb_15
3002 N6 H61 gb_2
3003 N6 H62 gb_2
3004 C5 N7 gb_9
3005 N7 C8 gb_9
3006 C2* O2* gb_19
3007 O2* H2* gb_1
3008 C2* C3* gb_25
3009 C3* O3* gb_19
3010 O3* +P gb_27
3011 [ exclusions ]
3012 ; ai aj
3013 C1* N3
3014 C1* C5
3015 C1* N7
3016 N9 C2
3017 N9 C6
3018 C4 N1
3019 C4 N6
3020 N3 C6
3021 N3 N7
3022 N3 C8
3023 C2 N6
3024 C2 C5
3025 N1 N7
3026 C6 C8
3027 N6 N7
3028 [ angles ]
3029 ; ai aj ak gromos type
3030 -O P O1P ga_13
3031 -O P O2P ga_13
3032 -O P O5* ga_4
3033 O1P P O2P ga_28
3034 O1P P O5* ga_13
3035 O2P P O5* ga_13
3036 P O5* C5* ga_25
3037 O5* C5* C4* ga_8
3038 C5* C4* O4* ga_8
3039 C5* C4* C3* ga_7
3040 O4* C4* C3* ga_8
3041 C4* O4* C1* ga_9
3042 O4* C1* N9 ga_8
3043 O4* C1* C2* ga_8
3044 N9 C1* C2* ga_8
3045 C1* N9 C4 ga_36
3046 C1* N9 C8 ga_36
3047 C4 N9 C8 ga_6
3048 N9 C4 N3 ga_38
3049 N9 C4 C5 ga_6
3050 N3 C4 C5 ga_26
3051 C4 N3 C2 ga_26
3052 N3 C2 N1 ga_26
3053 C2 N1 C6 ga_26
3054 N1 C6 N6 ga_26
3055 N1 C6 C5 ga_26
3056 N6 C6 C5 ga_26
3057 C6 N6 H61 ga_22
3058 C6 N6 H62 ga_22
3059 H61 N6 H62 ga_23
3060 C4 C5 C6 ga_26
3061 C4 C5 N7 ga_6
3062 C6 C5 N7 ga_38
3063 C5 N7 C8 ga_6
3064 N9 C8 N7 ga_6
3065 C1* C2* C3* ga_7
3066 C1* C2* O2* ga_8
3067 O2* C2* C3* ga_8
3068 C2* O2* H2* ga_11
3069 C4* C3* C2* ga_7
3070 C4* C3* O3* ga_8
3071 C2* C3* O3* ga_8
3072 C3* O3* +P ga_25
3073 [ impropers ]
3074 ; ai aj ak al gromos type
3075 C4* O4* C5* C3* gi_2
3076 C3* C2* O3* C4* gi_2
3077 C1* N9 O4* C2* gi_2
3078 N9 C8 C4 C1* gi_1
3079 C4 N9 C8 N7 gi_1
3080 C8 N9 C4 C5 gi_1
3081 N9 C8 N7 C5 gi_1
3082 N9 C4 C5 N7 gi_1
3083 C8 N7 C5 C4 gi_1
3084 C4 N9 N3 C5 gi_1
3085 C5 C6 N7 C4 gi_1
3086 N3 C4 C5 C6 gi_1
3087 C4 C5 C6 N1 gi_1
3088 C5 C4 N3 C2 gi_1
3089 C5 C6 N1 C2 gi_1
3090 C4 N3 C2 N1 gi_1
3091 N3 C2 N1 C6 gi_1
3092 C6 C5 N1 N6 gi_1
3093 N6 H61 H62 C6 gi_1
3094 C2* O2* C3* C1* gi_2
3095 [ dihedrals ]
3096 ; ai aj ak al gromos type
3097 -C -O P O5* gd_11
3098 -C -O P O5* gd_9
3099 -O P O5* C5* gd_11
3100 -O P O5* C5* gd_9
3101 P O5* C5* C4* gd_14
3102 O5* C5* C4* C3* gd_17
3103 O5* C5* C4* C3* gd_7
3104 O5* C5* C4* O4* gd_8
3105 C5* C4* C3* C2* gd_17
3106 C5* C4* C3* O3* gd_7
3107 O4* C4* C3* C2* gd_7
3108 O4* C4* C3* O3* gd_8
3109 C4* C3* C2* C1* gd_17
3110 O3* C3* C2* C1* gd_7
3111 C4* C3* C2* O2* gd_7
3112 O3* C3* C2* O2* gd_8
3113 C3* C2* C1* O4* gd_17
3114 C3* C2* C1* O4* gd_7
3115 O2* C2* C1* N9 gd_7
3116 O2* C2* C1* O4* gd_8
3117 C1* C2* O2* H2* gd_12
3118 C3* C4* O4* C1* gd_14
3119 C4* O4* C1* C2* gd_14
3120 O4* C1* N9 C4 gd_6
3121 C5 C6 N6 H61 gd_4
3122 C4* C3* O3* +P gd_14
3124 [ GUA ]
3125 [ atoms ]
3126 P P 0.99000 0
3127 O1P OM -0.63500 0
3128 O2P OM -0.63500 0
3129 O5* OA -0.36000 0
3130 C5* CH2 0.00000 1
3131 C4* CH1 0.16000 2
3132 O4* OA -0.36000 2
3133 C1* CH1 0.20000 2
3134 N9 NR -0.20000 3
3135 C4 C 0.20000 3
3136 N3 NR -0.36000 4
3137 C2 C 0.36000 4
3138 N2 NT -0.83000 5
3139 H21 H 0.41500 5
3140 H22 H 0.41500 5
3141 N1 NR -0.28000 6
3142 H1 H 0.28000 6
3143 C6 C 0.38000 7
3144 O6 O -0.38000 7
3145 C5 C 0.00000 8
3146 N7 NR -0.36000 8
3147 C8 CR1 0.36000 8
3148 C2* CH1 0.15000 9
3149 O2* OA -0.54800 9
3150 H2* H 0.39800 9
3151 C3* CH1 0.000 10
3152 O3* OA -0.360 11
3153 [ bonds ]
3154 P O1P gb_23
3155 P O2P gb_23
3156 P O5* gb_27
3157 O5* C5* gb_19
3158 C5* C4* gb_25
3159 C4* O4* gb_19
3160 C4* C3* gb_25
3161 O4* C1* gb_19
3162 C1* N9 gb_21
3163 C1* C2* gb_25
3164 N9 C4 gb_9
3165 N9 C8 gb_9
3166 C4 N3 gb_11
3167 C4 C5 gb_15
3168 N3 C2 gb_11
3169 C2 N2 gb_8
3170 C2 N1 gb_16
3171 N2 H21 gb_2
3172 N2 H22 gb_2
3173 N1 H1 gb_2
3174 N1 C6 gb_16
3175 C6 O6 gb_4
3176 C6 C5 gb_15
3177 C5 N7 gb_9
3178 N7 C8 gb_9
3179 C2* O2* gb_19
3180 O2* H2* gb_1
3181 C2* C3* gb_25
3182 C3* O3* gb_19
3183 O3* +P gb_27
3184 [ exclusions ]
3185 ; ai aj
3186 C1* N3
3187 C1* C5
3188 C1* N7
3189 N9 C2
3190 N9 C6
3191 C4 N2
3192 C4 N1
3193 C4 O6
3194 N3 H1
3195 N3 C6
3196 N3 N7
3197 N3 C8
3198 C2 O6
3199 C2 C5
3200 N2 H1
3201 N2 C6
3202 N1 N7
3203 H1 O6
3204 H1 C5
3205 C6 C8
3206 O6 N7
3207 [ angles ]
3208 ; ai aj ak gromos type
3209 -O P O1P ga_13
3210 -O P O2P ga_13
3211 -O P O5* ga_4
3212 O1P P O2P ga_28
3213 O1P P O5* ga_13
3214 O2P P O5* ga_13
3215 P O5* C5* ga_25
3216 O5* C5* C4* ga_8
3217 C5* C4* O4* ga_8
3218 C5* C4* C3* ga_7
3219 O4* C4* C3* ga_8
3220 C4* O4* C1* ga_9
3221 O4* C1* N9 ga_8
3222 O4* C1* C2* ga_8
3223 N9 C1* C2* ga_8
3224 C1* N9 C4 ga_36
3225 C1* N9 C8 ga_36
3226 C4 N9 C8 ga_6
3227 N9 C4 N3 ga_38
3228 N9 C4 C5 ga_6
3229 N3 C4 C5 ga_26
3230 C4 N3 C2 ga_26
3231 N3 C2 N2 ga_26
3232 N3 C2 N1 ga_26
3233 N2 C2 N1 ga_26
3234 C2 N2 H21 ga_22
3235 C2 N2 H22 ga_22
3236 H21 N2 H22 ga_23
3237 C2 N1 H1 ga_24
3238 C2 N1 C6 ga_26
3239 H1 N1 C6 ga_24
3240 N1 C6 O6 ga_26
3241 N1 C6 C5 ga_26
3242 O6 C6 C5 ga_26
3243 C4 C5 C6 ga_26
3244 C4 C5 N7 ga_6
3245 C6 C5 N7 ga_38
3246 C5 N7 C8 ga_6
3247 N9 C8 N7 ga_6
3248 C1* C2* C3* ga_7
3249 C1* C2* O2* ga_8
3250 O2* C2* C3* ga_8
3251 C2* O2* H2* ga_11
3252 C4* C3* C2* ga_7
3253 C4* C3* O3* ga_8
3254 C2* C3* O3* ga_8
3255 C3* O3* +P ga_25
3256 [ impropers ]
3257 ; ai aj ak al gromos type
3258 C4* O4* C5* C3* gi_2
3259 C3* C2* O3* C4* gi_2
3260 C1* N9 O4* C2* gi_2
3261 N9 C8 C4 C1* gi_1
3262 C4 N9 C8 N7 gi_1
3263 C8 N9 C4 C5 gi_1
3264 N9 C8 N7 C5 gi_1
3265 N9 C4 C5 N7 gi_1
3266 C8 N7 C5 C4 gi_1
3267 C4 N9 N3 C5 gi_1
3268 C5 C6 N7 C4 gi_1
3269 N3 C4 C5 C6 gi_1
3270 C4 C5 C6 N1 gi_1
3271 C5 C4 N3 C2 gi_1
3272 C5 C6 N1 C2 gi_1
3273 C4 N3 C2 N1 gi_1
3274 N3 C2 N1 C6 gi_1
3275 C2 N1 N3 N2 gi_1
3276 N2 H21 H22 C2 gi_1
3277 N1 C6 C2 H1 gi_1
3278 C6 C5 N1 O6 gi_1
3279 C2* O2* C3* C1* gi_2
3280 [ dihedrals ]
3281 ; ai aj ak al gromos type
3282 -C -O P O5* gd_11
3283 -C -O P O5* gd_9
3284 -O P O5* C5* gd_11
3285 -O P O5* C5* gd_9
3286 P O5* C5* C4* gd_14
3287 O5* C5* C4* C3* gd_17
3288 O5* C5* C4* C3* gd_7
3289 O5* C5* C4* O4* gd_8
3290 C5* C4* C3* C2* gd_17
3291 C5* C4* C3* O3* gd_7
3292 O4* C4* C3* C2* gd_7
3293 O4* C4* C3* O3* gd_8
3294 C4* C3* C2* C1* gd_17
3295 O3* C3* C2* C1* gd_7
3296 C4* C3* C2* O2* gd_7
3297 O3* C3* C2* O2* gd_8
3298 C3* C2* C1* O4* gd_17
3299 C3* C2* C1* O4* gd_7
3300 O2* C2* C1* N9 gd_7
3301 O2* C2* C1* O4* gd_8
3302 C1* C2* O2* H2* gd_12
3303 C3* C4* O4* C1* gd_14
3304 C4* O4* C1* C2* gd_14
3305 O4* C1* N9 C4 gd_6
3306 N3 C2 N2 H21 gd_4
3307 C4* C3* O3* +P gd_14
3309 [ CYT ]
3310 [ atoms ]
3311 P P 0.99000 0
3312 O1P OM -0.63500 0
3313 O2P OM -0.63500 0
3314 O5* OA -0.36000 0
3315 C5* CH2 0.00000 1
3316 C4* CH1 0.16000 2
3317 O4* OA -0.36000 2
3318 C1* CH1 0.20000 2
3319 N1 NR -0.20000 3
3320 C6 CR1 0.20000 3
3321 C2 C 0.38000 4
3322 O2 O -0.38000 4
3323 N3 NR -0.36000 5
3324 C4 C 0.36000 5
3325 N4 NT -0.83000 6
3326 H41 H 0.41500 6
3327 H42 H 0.41500 6
3328 C5 CR1 0.00000 7
3329 C2* CH1 0.15000 8
3330 O2* OA -0.54800 8
3331 H2* H 0.39800 8
3332 C3* CH1 0.000 9
3333 O3* OA -0.360 10
3334 [ bonds ]
3335 P O1P gb_23
3336 P O2P gb_23
3337 P O5* gb_27
3338 O5* C5* gb_19
3339 C5* C4* gb_25
3340 C4* O4* gb_19
3341 C4* C3* gb_25
3342 O4* C1* gb_19
3343 C1* N1 gb_22
3344 C1* C2* gb_25
3345 N1 C6 gb_16
3346 N1 C2 gb_16
3347 C6 C5 gb_15
3348 C2 O2 gb_4
3349 C2 N3 gb_11
3350 N3 C4 gb_11
3351 C4 N4 gb_8
3352 C4 C5 gb_15
3353 N4 H41 gb_2
3354 N4 H42 gb_2
3355 C2* O2* gb_19
3356 O2* H2* gb_1
3357 C2* C3* gb_25
3358 C3* O3* gb_19
3359 O3* +P gb_27
3360 [ exclusions ]
3361 ; ai aj
3362 C1* O2
3363 C1* N3
3364 C1* C5
3365 N1 C4
3366 C6 O2
3367 C6 N3
3368 C6 N4
3369 C2 N4
3370 C2 C5
3371 O2 C4
3372 [ angles ]
3373 ; ai aj ak gromos type
3374 -O P O1P ga_13
3375 -O P O2P ga_13
3376 -O P O5* ga_4
3377 O1P P O2P ga_28
3378 O1P P O5* ga_13
3379 O2P P O5* ga_13
3380 P O5* C5* ga_25
3381 O5* C5* C4* ga_8
3382 C5* C4* O4* ga_8
3383 C5* C4* C3* ga_7
3384 O4* C4* C3* ga_8
3385 C4* O4* C1* ga_9
3386 O4* C1* N1 ga_8
3387 O4* C1* C2* ga_8
3388 N1 C1* C2* ga_7
3389 C1* N1 C6 ga_26
3390 C1* N1 C2 ga_26
3391 C6 N1 C2 ga_26
3392 N1 C6 C5 ga_26
3393 N1 C2 O2 ga_26
3394 N1 C2 N3 ga_26
3395 O2 C2 N3 ga_26
3396 C2 N3 C4 ga_26
3397 N3 C4 N4 ga_26
3398 N3 C4 C5 ga_26
3399 N4 C4 C5 ga_26
3400 C4 N4 H41 ga_22
3401 C4 N4 H42 ga_22
3402 H41 N4 H42 ga_23
3403 C6 C5 C4 ga_26
3404 C1* C2* C3* ga_7
3405 C1* C2* O2* ga_8
3406 O2* C2* C3* ga_8
3407 C2* O2* H2* ga_11
3408 C4* C3* C2* ga_7
3409 C4* C3* O3* ga_8
3410 C2* C3* O3* ga_8
3411 C3* O3* +P ga_25
3412 [ impropers ]
3413 ; ai aj ak al gromos type
3414 C4* O4* C5* C3* gi_2
3415 C3* C2* O3* C4* gi_2
3416 C1* N1 O4* C2* gi_2
3417 N1 C6 C2 C1* gi_1
3418 C2 N1 C6 C5 gi_1
3419 C6 N1 C2 N3 gi_1
3420 N1 C6 C5 C4 gi_1
3421 N1 C2 N3 C4 gi_1
3422 C6 C5 C4 N3 gi_1
3423 C2 N3 C4 C5 gi_1
3424 C2 N3 N1 O2 gi_1
3425 C4 C5 N3 N4 gi_1
3426 N4 H41 H42 C4 gi_1
3427 C2* O2* C3* C1* gi_2
3428 [ dihedrals ]
3429 ; ai aj ak al gromos type
3430 -C -O P O5* gd_11
3431 -C -O P O5* gd_9
3432 -O P O5* C5* gd_11
3433 -O P O5* C5* gd_9
3434 P O5* C5* C4* gd_14
3435 O5* C5* C4* C3* gd_17
3436 O5* C5* C4* C3* gd_7
3437 O5* C5* C4* O4* gd_8
3438 C5* C4* C3* C2* gd_17
3439 C5* C4* C3* O3* gd_7
3440 O4* C4* C3* C2* gd_7
3441 O4* C4* C3* O3* gd_8
3442 C4* C3* C2* C1* gd_17
3443 O3* C3* C2* C1* gd_7
3444 C4* C3* C2* O2* gd_7
3445 O3* C3* C2* O2* gd_8
3446 C3* C2* C1* O4* gd_17
3447 C3* C2* C1* O4* gd_7
3448 O2* C2* C1* N1 gd_7
3449 O2* C2* C1* O4* gd_8
3450 C1* C2* O2* H2* gd_12
3451 C3* C4* O4* C1* gd_14
3452 C4* O4* C1* C2* gd_14
3453 O4* C1* N1 C2 gd_6
3454 N3 C4 N4 H41 gd_4
3455 C4* C3* O3* +P gd_14
3457 [ URA ]
3458 [ atoms ]
3459 P P 0.99000 0
3460 O1P OM -0.63500 0
3461 O2P OM -0.63500 0
3462 O5* OA -0.36000 0
3463 C5* CH2 0.00000 1
3464 C4* CH1 0.16000 2
3465 O4* OA -0.36000 2
3466 C1* CH1 0.20000 2
3467 N1 NR -0.20000 3
3468 C6 CR1 0.20000 3
3469 C2 C 0.38000 4
3470 O2 O -0.38000 4
3471 N3 NR -0.28000 5
3472 H3 H 0.28000 5
3473 C4 C 0.38000 6
3474 O4 O -0.38000 6
3475 C5 CR1 0.00000 7
3476 C2* CH1 0.15000 8
3477 O2* OA -0.54800 8
3478 H2* H 0.39800 8
3479 C3* CH1 0.000 9
3480 O3* OA -0.360 10
3481 [ bonds ]
3482 P O1P gb_23
3483 P O2P gb_23
3484 P O5* gb_27
3485 O5* C5* gb_19
3486 C5* C4* gb_25
3487 C4* O4* gb_19
3488 C4* C3* gb_25
3489 O4* C1* gb_19
3490 C1* N1 gb_22
3491 C1* C2* gb_25
3492 N1 C6 gb_16
3493 N1 C2 gb_16
3494 C6 C5 gb_15
3495 C2 O2 gb_4
3496 C2 N3 gb_16
3497 N3 H3 gb_2
3498 N3 C4 gb_16
3499 C4 O4 gb_4
3500 C4 C5 gb_15
3501 C2* O2* gb_19
3502 O2* H2* gb_1
3503 C2* C3* gb_25
3504 C3* O3* gb_19
3505 O3* +P gb_27
3506 [ exclusions ]
3507 ; ai aj
3508 C1* O2
3509 C1* N3
3510 C1* C5
3511 N1 H3
3512 N1 C4
3513 C6 O2
3514 C6 N3
3515 C6 O4
3516 C2 O4
3517 C2 C5
3518 O2 H3
3519 O2 C4
3520 H3 O4
3521 H3 C5
3522 [ angles ]
3523 ; ai aj ak gromos type
3524 -O P O1P ga_13
3525 -O P O2P ga_13
3526 -O P O5* ga_4
3527 O1P P O2P ga_28
3528 O1P P O5* ga_13
3529 O2P P O5* ga_13
3530 P O5* C5* ga_25
3531 O5* C5* C4* ga_8
3532 C5* C4* O4* ga_8
3533 C5* C4* C3* ga_7
3534 O4* C4* C3* ga_8
3535 C4* O4* C1* ga_9
3536 O4* C1* N1 ga_8
3537 O4* C1* C2* ga_8
3538 N1 C1* C2* ga_7
3539 C1* N1 C6 ga_26
3540 C1* N1 C2 ga_26
3541 C6 N1 C2 ga_26
3542 N1 C6 C5 ga_26
3543 N1 C2 O2 ga_26
3544 N1 C2 N3 ga_26
3545 O2 C2 N3 ga_26
3546 C2 N3 H3 ga_24
3547 C2 N3 C4 ga_26
3548 H3 N3 C4 ga_24
3549 N3 C4 O4 ga_26
3550 N3 C4 C5 ga_26
3551 O4 C4 C5 ga_26
3552 C6 C5 C4 ga_26
3553 C1* C2* C3* ga_7
3554 C1* C2* O2* ga_8
3555 O2* C2* C3* ga_8
3556 C2* O2* H2* ga_11
3557 C4* C3* C2* ga_7
3558 C4* C3* O3* ga_8
3559 C2* C3* O3* ga_8
3560 C3* O3* +P ga_25
3561 [ impropers ]
3562 ; ai aj ak al gromos type
3563 C4* O4* C5* C3* gi_2
3564 C3* C2* O3* C4* gi_2
3565 C1* N1 O4* C2* gi_2
3566 N1 C6 C2 C1* gi_1
3567 C2 N1 C6 C5 gi_1
3568 C6 N1 C2 N3 gi_1
3569 N1 C6 C5 C4 gi_1
3570 N1 C2 N3 C4 gi_1
3571 C6 C5 C4 N3 gi_1
3572 C2 N3 C4 C5 gi_1
3573 C2 N3 N1 O2 gi_1
3574 N3 C4 C2 H3 gi_1
3575 C4 C5 N3 O4 gi_1
3576 C2* O2* C3* C1* gi_2
3577 [ dihedrals ]
3578 ; ai aj ak al gromos type
3579 -C -O P O5* gd_11
3580 -C -O P O5* gd_9
3581 -O P O5* C5* gd_11
3582 -O P O5* C5* gd_9
3583 P O5* C5* C4* gd_14
3584 O5* C5* C4* C3* gd_17
3585 O5* C5* C4* C3* gd_7
3586 O5* C5* C4* O4* gd_8
3587 C5* C4* C3* C2* gd_17
3588 C5* C4* C3* O3* gd_7
3589 O4* C4* C3* C2* gd_7
3590 O4* C4* C3* O3* gd_8
3591 C4* C3* C2* C1* gd_17
3592 O3* C3* C2* C1* gd_7
3593 C4* C3* C2* O2* gd_7
3594 O3* C3* C2* O2* gd_8
3595 C3* C2* C1* O4* gd_17
3596 C3* C2* C1* O4* gd_7
3597 O2* C2* C1* N1 gd_7
3598 O2* C2* C1* O4* gd_8
3599 C1* C2* O2* H2* gd_12
3600 C3* C4* O4* C1* gd_14
3601 C4* O4* C1* C2* gd_14
3602 O4* C1* N1 C2 gd_6
3603 C4* C3* O3* +P gd_14
3605 [ FMNO ]
3606 [ atoms ]
3607 FC9A C 0.20000 0
3608 FN10 NR -0.20000 0
3609 FC10A C 0.36000 1
3610 FN1 NR -0.36000 1
3611 FC2 C 0.38000 2
3612 FO2 O -0.38000 2
3613 FN3 NR -0.28000 3
3614 FH3 H 0.28000 3
3615 FC4 C 0.38000 4
3616 FO4 O -0.38000 4
3617 FC4A C 0.18000 5
3618 FN5 NR -0.28000 5
3619 FC5A C 0.10000 5
3620 FC6 CR1 0.00000 6
3621 FC7 C 0.00000 7
3622 FCM7 CH3 0.00000 7
3623 FC8 C 0.00000 8
3624 FCM8 CH3 0.00000 8
3625 FC9 CR1 0.00000 9
3626 FCA CH2 0.00000 10
3627 FCB CH1 0.15000 11
3628 FOB OA -0.54800 11
3629 FHB H 0.39800 11
3630 FCG CH1 0.15000 12
3631 FOG OA -0.54800 12
3632 FHG H 0.39800 12
3633 FCD CH1 0.15000 13
3634 FOD OA -0.54800 13
3635 FHD H 0.39800 13
3636 FCE CH2 0.15000 14
3637 FOZ OA -0.36000 14
3638 FPH P 0.63000 14
3639 FOH OA -0.54800 14
3640 FHH H 0.39800 14
3641 FOT1 OM -0.63500 14
3642 FOT2 OM -0.63500 14
3643 [ bonds ]
3644 FC9A FN10 gb_16
3645 FC9A FC5A gb_15
3646 FC9A FC9 gb_15
3647 FN10 FC10A gb_16
3648 FN10 FCA gb_22
3649 FC10A FN1 gb_11
3650 FC10A FC4A gb_15
3651 FN1 FC2 gb_11
3652 FC2 FO2 gb_4
3653 FC2 FN3 gb_16
3654 FN3 FH3 gb_2
3655 FN3 FC4 gb_16
3656 FC4 FO4 gb_4
3657 FC4 FC4A gb_15
3658 FC4A FN5 gb_11
3659 FN5 FC5A gb_11
3660 FC5A FC6 gb_15
3661 FC6 FC7 gb_15
3662 FC7 FCM7 gb_26
3663 FC7 FC8 gb_15
3664 FC8 FCM8 gb_26
3665 FC8 FC9 gb_15
3666 FCA FCB gb_26
3667 FCB FOB gb_17
3668 FCB FCG gb_26
3669 FOB FHB gb_1
3670 FCG FOG gb_17
3671 FCG FCD gb_26
3672 FOG FHG gb_1
3673 FCD FOD gb_17
3674 FCD FCE gb_26
3675 FOD FHD gb_1
3676 FCE FOZ gb_17
3677 FOZ FPH gb_27
3678 FPH FOH gb_27
3679 FPH FOT1 gb_23
3680 FPH FOT2 gb_23
3681 FOH FHH gb_1
3682 [ exclusions ]
3683 ; ai aj
3684 FC9A FN1
3685 FC9A FC4A
3686 FC9A FC7
3687 FC9A FCM8
3688 FN10 FC2
3689 FN10 FC4
3690 FN10 FN5
3691 FN10 FC6
3692 FN10 FC8
3693 FC10A FO2
3694 FC10A FN3
3695 FC10A FO4
3696 FC10A FC5A
3697 FC10A FC9
3698 FN1 FH3
3699 FN1 FC4
3700 FN1 FN5
3701 FN1 FCA
3702 FC2 FO4
3703 FC2 FC4A
3704 FO2 FH3
3705 FO2 FC4
3706 FN3 FN5
3707 FH3 FO4
3708 FH3 FC4A
3709 FC4 FC5A
3710 FO4 FN5
3711 FC4A FC6
3712 FC4A FCA
3713 FN5 FC7
3714 FN5 FC9
3715 FC5A FCM7
3716 FC5A FC8
3717 FC5A FCA
3718 FC6 FCM8
3719 FC6 FC9
3720 FCM7 FCM8
3721 FCM7 FC9
3722 FC9 FCA
3723 FOZ FHH
3724 FHH FOT1
3725 FHH FOT2
3726 [ angles ]
3727 ; ai aj ak gromos type
3728 FN10 FC9A FC5A ga_26
3729 FN10 FC9A FC9 ga_26
3730 FC5A FC9A FC9 ga_26
3731 FC9A FN10 FC10A ga_26
3732 FC9A FN10 FCA ga_26
3733 FC10A FN10 FCA ga_26
3734 FN10 FC10A FN1 ga_26
3735 FN10 FC10A FC4A ga_26
3736 FN1 FC10A FC4A ga_26
3737 FC10A FN1 FC2 ga_26
3738 FN1 FC2 FO2 ga_26
3739 FN1 FC2 FN3 ga_26
3740 FO2 FC2 FN3 ga_26
3741 FC2 FN3 FH3 ga_24
3742 FC2 FN3 FC4 ga_26
3743 FH3 FN3 FC4 ga_24
3744 FN3 FC4 FO4 ga_26
3745 FN3 FC4 FC4A ga_26
3746 FO4 FC4 FC4A ga_26
3747 FC10A FC4A FC4 ga_26
3748 FC10A FC4A FN5 ga_26
3749 FC4 FC4A FN5 ga_26
3750 FC4A FN5 FC5A ga_26
3751 FC9A FC5A FN5 ga_26
3752 FC9A FC5A FC6 ga_26
3753 FN5 FC5A FC6 ga_26
3754 FC5A FC6 FC7 ga_26
3755 FC6 FC7 FCM7 ga_26
3756 FC6 FC7 FC8 ga_26
3757 FCM7 FC7 FC8 ga_26
3758 FC7 FC8 FCM8 ga_26
3759 FC7 FC8 FC9 ga_26
3760 FCM8 FC8 FC9 ga_26
3761 FC9A FC9 FC8 ga_26
3762 FN10 FCA FCB ga_14
3763 FCA FCB FOB ga_14
3764 FCA FCB FCG ga_14
3765 FOB FCB FCG ga_12
3766 FCB FOB FHB ga_11
3767 FCB FCG FOG ga_12
3768 FCB FCG FCD ga_14
3769 FOG FCG FCD ga_12
3770 FCG FOG FHG ga_11
3771 FCG FCD FOD ga_12
3772 FCG FCD FCE ga_14
3773 FOD FCD FCE ga_14
3774 FCD FOD FHD ga_11
3775 FCD FCE FOZ ga_14
3776 FCE FOZ FPH ga_25
3777 FOZ FPH FOH ga_4
3778 FOZ FPH FOT1 ga_13
3779 FOZ FPH FOT2 ga_13
3780 FOH FPH FOT1 ga_13
3781 FOH FPH FOT2 ga_13
3782 FOT1 FPH FOT2 ga_28
3783 FPH FOH FHH ga_11
3784 [ impropers ]
3785 ; ai aj ak al gromos type
3786 FC2 FN1 FN3 FO2 gi_1
3787 FN3 FC2 FC4 FH3 gi_1
3788 FC4 FN3 FC4A FO4 gi_1
3789 FN1 FC2 FN3 FC4 gi_1
3790 FC2 FN3 FC4 FC4A gi_1
3791 FN3 FC4 FC4A FC10A gi_1
3792 FC4 FC4A FC10A FN1 gi_1
3793 FC4A FC10A FN1 FC2 gi_1
3794 FC10A FN1 FC2 FN3 gi_1
3795 FC4A FC4 FN5 FC10A gi_1
3796 FC10A FN1 FN10 FC4A gi_1
3797 FN10 FC10A FC4A FN5 gi_1
3798 FN10 FC9A FC5A FN5 gi_1
3799 FC5A FN5 FC6 FC9A gi_1
3800 FC9A FN10 FC9 FC5A gi_1
3801 FC5A FC6 FC7 FC8 gi_1
3802 FC6 FC7 FC8 FC9 gi_1
3803 FC7 FC8 FC9 FC9A gi_1
3804 FC8 FC9 FC9A FC5A gi_1
3805 FC9 FC9A FC5A FC6 gi_1
3806 FC9A FC5A FC6 FC7 gi_1
3807 FC7 FC6 FC8 FCM7 gi_1
3808 FC8 FC7 FC9 FCM8 gi_1
3809 FCB FOB FCG FCA gi_2
3810 FCG FOG FCD FCB gi_2
3811 FCD FOD FCE FCG gi_2
3812 [ dihedrals ]
3813 ; ai aj ak al gromos type
3814 FC10A FC4A FN5 FC5A gd_4
3815 FC4A FN5 FC5A FC9A gd_4
3816 FC5A FC9A FN10 FC10A gd_4
3817 FC9A FN10 FC10A FC4A gd_4
3818 FC9A FN10 FCA FCB gd_20
3819 FN10 FCA FCB FCG gd_17
3820 FCA FCB FOB FHB gd_12
3821 FCA FCB FCG FCD gd_17
3822 FCB FCG FOG FHG gd_12
3823 FCB FCG FCD FCE gd_17
3824 FCG FCD FOD FHD gd_12
3825 FCG FCD FCE FOZ gd_17
3826 FCD FCE FOZ FPH gd_14
3827 FCE FOZ FPH FOH gd_11
3828 FCE FOZ FPH FOH gd_9
3829 FOZ FPH FOH FHH gd_11
3830 FOZ FPH FOH FHH gd_9
3832 [ FMNS ]
3833 [ atoms ]
3834 FC9A C 0.20000 0
3835 FN10 NR -0.20000 0
3836 FC10A C 0.36000 1
3837 FN1 NR -0.36000 1
3838 FC2 C 0.38000 2
3839 FO2 O -0.38000 2
3840 FN3 NR -0.28000 3
3841 FH3 H 0.28000 3
3842 FC4 C 0.38000 4
3843 FO4 O -0.38000 4
3844 FC4A C 0.00000 5
3845 FN5 NR -0.28000 6
3846 FH5 H 0.28000 6
3847 FC5A C 0.00000 7
3848 FC6 CR1 0.00000 8
3849 FC7 C 0.00000 9
3850 FCM7 CH3 0.00000 9
3851 FC8 C 0.00000 10
3852 FCM8 CH3 0.00000 10
3853 FC9 CR1 0.00000 11
3854 FCA CH2 0.00000 12
3855 FCB CH1 0.15000 13
3856 FOB OA -0.54800 13
3857 FHB H 0.39800 13
3858 FCG CH1 0.15000 14
3859 FOG OA -0.54800 14
3860 FHG H 0.39800 14
3861 FCD CH1 0.15000 15
3862 FOD OA -0.54800 15
3863 FHD H 0.39800 15
3864 FCE CH2 0.15000 16
3865 FOZ OA -0.36000 16
3866 FPH P 0.63000 16
3867 FOH OA -0.54800 16
3868 FHH H 0.39800 16
3869 FOT1 OM -0.63500 16
3870 FOT2 OM -0.63500 16
3871 [ bonds ]
3872 FC9A FN10 gb_16
3873 FC9A FC5A gb_15
3874 FC9A FC9 gb_15
3875 FN10 FC10A gb_16
3876 FN10 FCA gb_22
3877 FC10A FN1 gb_11
3878 FC10A FC4A gb_15
3879 FN1 FC2 gb_11
3880 FC2 FO2 gb_4
3881 FC2 FN3 gb_16
3882 FN3 FH3 gb_2
3883 FN3 FC4 gb_16
3884 FC4 FO4 gb_4
3885 FC4 FC4A gb_15
3886 FC4A FN5 gb_16
3887 FN5 FH5 gb_2
3888 FN5 FC5A gb_16
3889 FC5A FC6 gb_15
3890 FC6 FC7 gb_15
3891 FC7 FCM7 gb_26
3892 FC7 FC8 gb_15
3893 FC8 FCM8 gb_26
3894 FC8 FC9 gb_15
3895 FCA FCB gb_26
3896 FCB FOB gb_17
3897 FCB FCG gb_26
3898 FOB FHB gb_1
3899 FCG FOG gb_17
3900 FCG FCD gb_26
3901 FOG FHG gb_1
3902 FCD FOD gb_17
3903 FCD FCE gb_26
3904 FOD FHD gb_1
3905 FCE FOZ gb_17
3906 FOZ FPH gb_27
3907 FPH FOH gb_27
3908 FPH FOT1 gb_23
3909 FPH FOT2 gb_23
3910 FOH FHH gb_1
3911 [ exclusions ]
3912 ; ai aj
3913 FC9A FN1
3914 FC9A FC4A
3915 FC9A FH5
3916 FC9A FC7
3917 FC9A FCM8
3918 FN10 FC2
3919 FN10 FC4
3920 FN10 FN5
3921 FN10 FC6
3922 FN10 FC8
3923 FC10A FO2
3924 FC10A FN3
3925 FC10A FO4
3926 FC10A FH5
3927 FC10A FC5A
3928 FC10A FC9
3929 FN1 FH3
3930 FN1 FC4
3931 FN1 FN5
3932 FN1 FCA
3933 FC2 FO4
3934 FC2 FC4A
3935 FO2 FH3
3936 FO2 FC4
3937 FN3 FN5
3938 FH3 FO4
3939 FH3 FC4A
3940 FC4 FH5
3941 FC4 FC5A
3942 FO4 FN5
3943 FC4A FC6
3944 FC4A FCA
3945 FN5 FC7
3946 FN5 FC9
3947 FH5 FC6
3948 FC5A FCM7
3949 FC5A FC8
3950 FC5A FCA
3951 FC6 FCM8
3952 FC6 FC9
3953 FCM7 FCM8
3954 FCM7 FC9
3955 FC9 FCA
3956 FOZ FHH
3957 FHH FOT1
3958 FHH FOT2
3959 [ angles ]
3960 ; ai aj ak gromos type
3961 FN10 FC9A FC5A ga_26
3962 FN10 FC9A FC9 ga_26
3963 FC5A FC9A FC9 ga_26
3964 FC9A FN10 FC10A ga_26
3965 FC9A FN10 FCA ga_26
3966 FC10A FN10 FCA ga_26
3967 FN10 FC10A FN1 ga_26
3968 FN10 FC10A FC4A ga_26
3969 FN1 FC10A FC4A ga_26
3970 FC10A FN1 FC2 ga_26
3971 FN1 FC2 FO2 ga_26
3972 FN1 FC2 FN3 ga_26
3973 FO2 FC2 FN3 ga_26
3974 FC2 FN3 FH3 ga_24
3975 FC2 FN3 FC4 ga_26
3976 FH3 FN3 FC4 ga_24
3977 FN3 FC4 FO4 ga_26
3978 FN3 FC4 FC4A ga_26
3979 FO4 FC4 FC4A ga_26
3980 FC10A FC4A FC4 ga_26
3981 FC10A FC4A FN5 ga_26
3982 FC4 FC4A FN5 ga_26
3983 FC4A FN5 FH5 ga_24
3984 FC4A FN5 FC5A ga_26
3985 FH5 FN5 FC5A ga_24
3986 FC9A FC5A FN5 ga_26
3987 FC9A FC5A FC6 ga_26
3988 FN5 FC5A FC6 ga_26
3989 FC5A FC6 FC7 ga_26
3990 FC6 FC7 FCM7 ga_26
3991 FC6 FC7 FC8 ga_26
3992 FCM7 FC7 FC8 ga_26
3993 FC7 FC8 FCM8 ga_26
3994 FC7 FC8 FC9 ga_26
3995 FCM8 FC8 FC9 ga_26
3996 FC9A FC9 FC8 ga_26
3997 FN10 FCA FCB ga_14
3998 FCA FCB FOB ga_14
3999 FCA FCB FCG ga_14
4000 FOB FCB FCG ga_12
4001 FCB FOB FHB ga_11
4002 FCB FCG FOG ga_12
4003 FCB FCG FCD ga_14
4004 FOG FCG FCD ga_12
4005 FCG FOG FHG ga_11
4006 FCG FCD FOD ga_12
4007 FCG FCD FCE ga_14
4008 FOD FCD FCE ga_14
4009 FCD FOD FHD ga_11
4010 FCD FCE FOZ ga_14
4011 FCE FOZ FPH ga_25
4012 FOZ FPH FOH ga_4
4013 FOZ FPH FOT1 ga_13
4014 FOZ FPH FOT2 ga_13
4015 FOH FPH FOT1 ga_13
4016 FOH FPH FOT2 ga_13
4017 FOT1 FPH FOT2 ga_28
4018 FPH FOH FHH ga_11
4019 [ impropers ]
4020 ; ai aj ak al gromos type
4021 FC2 FN1 FN3 FO2 gi_1
4022 FN3 FC2 FC4 FH3 gi_1
4023 FC4 FN3 FC4A FO4 gi_1
4024 FN1 FC2 FN3 FC4 gi_1
4025 FC2 FN3 FC4 FC4A gi_1
4026 FN3 FC4 FC4A FC10A gi_1
4027 FC4 FC4A FC10A FN1 gi_1
4028 FC4A FC10A FN1 FC2 gi_1
4029 FC10A FN1 FC2 FN3 gi_1
4030 FC4A FC4 FN5 FC10A gi_1
4031 FC10A FN1 FN10 FC4A gi_1
4032 FN10 FC10A FC4A FN5 gi_1
4033 FN10 FC9A FC5A FN5 gi_1
4034 FC5A FN5 FC6 FC9A gi_1
4035 FC9A FN10 FC9 FC5A gi_1
4036 FC5A FC6 FC7 FC8 gi_1
4037 FC6 FC7 FC8 FC9 gi_1
4038 FC7 FC8 FC9 FC9A gi_1
4039 FC8 FC9 FC9A FC5A gi_1
4040 FC9 FC9A FC5A FC6 gi_1
4041 FC9A FC5A FC6 FC7 gi_1
4042 FC7 FC6 FC8 FCM7 gi_1
4043 FC8 FC7 FC9 FCM8 gi_1
4044 FCB FOB FCG FCA gi_2
4045 FCG FOG FCD FCB gi_2
4046 FCD FOD FCE FCG gi_2
4047 [ dihedrals ]
4048 ; ai aj ak al gromos type
4049 FC10A FC4A FN5 FC5A gd_4
4050 FC4A FN5 FC5A FC9A gd_4
4051 FC5A FC9A FN10 FC10A gd_4
4052 FC9A FN10 FC10A FC4A gd_4
4053 FC9A FN10 FCA FCB gd_20
4054 FN10 FCA FCB FCG gd_17
4055 FCA FCB FOB FHB gd_12
4056 FCA FCB FCG FCD gd_17
4057 FCB FCG FOG FHG gd_12
4058 FCB FCG FCD FCE gd_17
4059 FCG FCD FOD FHD gd_12
4060 FCG FCD FCE FOZ gd_17
4061 FCD FCE FOZ FPH gd_14
4062 FCE FOZ FPH FOH gd_11
4063 FCE FOZ FPH FOH gd_9
4064 FOZ FPH FOH FHH gd_11
4065 FOZ FPH FOH FHH gd_9
4067 [ FMNR ]
4068 [ atoms ]
4069 FC9A C 0.10000 0
4070 FN10 NR -0.20000 0
4071 FC10A C 0.10000 0
4072 FN1 NR -0.28000 1
4073 FH1 H 0.28000 1
4074 FC2 C 0.38000 2
4075 FO2 O -0.38000 2
4076 FN3 NR -0.28000 3
4077 FH3 H 0.28000 3
4078 FC4 C 0.38000 4
4079 FO4 O -0.38000 4
4080 FC4A C 0.00000 5
4081 FN5 NR -0.28000 6
4082 FH5 H 0.28000 6
4083 FC5A C 0.00000 7
4084 FC6 CR1 0.00000 8
4085 FC7 C 0.00000 9
4086 FCM7 CH3 0.00000 9
4087 FC8 C 0.00000 10
4088 FCM8 CH3 0.00000 10
4089 FC9 CR1 0.00000 11
4090 FCA CH2 0.00000 12
4091 FCB CH1 0.15000 13
4092 FOB OA -0.54800 13
4093 FHB H 0.39800 13
4094 FCG CH1 0.15000 14
4095 FOG OA -0.54800 14
4096 FHG H 0.39800 14
4097 FCD CH1 0.15000 15
4098 FOD OA -0.54800 15
4099 FHD H 0.39800 15
4100 FCE CH2 0.15000 16
4101 FOZ OA -0.36000 16
4102 FPH P 0.63000 16
4103 FOH OA -0.54800 16
4104 FHH H 0.39800 16
4105 FOT1 OM -0.63500 16
4106 FOT2 OM -0.63500 16
4107 [ bonds ]
4108 FC9A FN10 gb_16
4109 FC9A FC5A gb_15
4110 FC9A FC9 gb_15
4111 FN10 FC10A gb_16
4112 FN10 FCA gb_22
4113 FC10A FN1 gb_16
4114 FC10A FC4A gb_15
4115 FN1 FH1 gb_2
4116 FN1 FC2 gb_16
4117 FC2 FO2 gb_14
4118 FC2 FN3 gb_16
4119 FN3 FH3 gb_2
4120 FN3 FC4 gb_16
4121 FC4 FO4 gb_4
4122 FC4 FC4A gb_15
4123 FC4A FN5 gb_16
4124 FN5 FH5 gb_2
4125 FN5 FC5A gb_16
4126 FC5A FC6 gb_15
4127 FC6 FC7 gb_15
4128 FC7 FCM7 gb_26
4129 FC7 FC8 gb_15
4130 FC8 FCM8 gb_26
4131 FC8 FC9 gb_15
4132 FCA FCB gb_26
4133 FCB FOB gb_17
4134 FCB FCG gb_26
4135 FOB FHB gb_1
4136 FCG FOG gb_17
4137 FCG FCD gb_26
4138 FOG FHG gb_1
4139 FCD FOD gb_17
4140 FCD FCE gb_26
4141 FOD FHD gb_1
4142 FCE FOZ gb_17
4143 FOZ FPH gb_27
4144 FPH FOH gb_27
4145 FPH FOT1 gb_23
4146 FPH FOT2 gb_23
4147 FOH FHH gb_1
4148 [ exclusions ]
4149 ; ai aj
4150 FC9A FN1
4151 FC9A FC4A
4152 FC9A FH5
4153 FC9A FC7
4154 FC9A FCM8
4155 FN10 FH1
4156 FN10 FC2
4157 FN10 FC4
4158 FN10 FN5
4159 FN10 FC6
4160 FN10 FC8
4161 FC10A FO2
4162 FC10A FN3
4163 FC10A FO4
4164 FC10A FH5
4165 FC10A FC5A
4166 FC10A FC9
4167 FN1 FH3
4168 FN1 FC4
4169 FN1 FN5
4170 FN1 FCA
4171 FH1 FO2
4172 FH1 FN3
4173 FH1 FC4A
4174 FC2 FO4
4175 FC2 FC4A
4176 FO2 FH3
4177 FO2 FC4
4178 FN3 FN5
4179 FH3 FO4
4180 FH3 FC4A
4181 FC4 FH5
4182 FC4 FC5A
4183 FO4 FN5
4184 FC4A FC6
4185 FC4A FCA
4186 FN5 FC7
4187 FN5 FC9
4188 FH5 FC6
4189 FC5A FCM7
4190 FC5A FC8
4191 FC5A FCA
4192 FC6 FCM8
4193 FC6 FC9
4194 FCM7 FCM8
4195 FCM7 FC9
4196 FC9 FCA
4197 FOZ FHH
4198 FHH FOT1
4199 FHH FOT2
4200 FOT1 +N
4201 [ angles ]
4202 ; ai aj ak gromos type
4203 FN10 FC9A FC5A ga_26
4204 FN10 FC9A FC9 ga_26
4205 FC5A FC9A FC9 ga_26
4206 FC9A FN10 FC10A ga_26
4207 FC9A FN10 FCA ga_26
4208 FC10A FN10 FCA ga_26
4209 FN10 FC10A FN1 ga_26
4210 FN10 FC10A FC4A ga_26
4211 FN1 FC10A FC4A ga_26
4212 FC10A FN1 FH1 ga_24
4213 FC10A FN1 FC2 ga_26
4214 FH1 FN1 FC2 ga_24
4215 FN1 FC2 FO2 ga_26
4216 FN1 FC2 FN3 ga_26
4217 FO2 FC2 FN3 ga_26
4218 FC2 FN3 FH3 ga_24
4219 FC2 FN3 FC4 ga_26
4220 FH3 FN3 FC4 ga_24
4221 FN3 FC4 FO4 ga_26
4222 FN3 FC4 FC4A ga_26
4223 FO4 FC4 FC4A ga_26
4224 FC10A FC4A FC4 ga_26
4225 FC10A FC4A FN5 ga_26
4226 FC4 FC4A FN5 ga_26
4227 FC4A FN5 FH5 ga_24
4228 FC4A FN5 FC5A ga_26
4229 FH5 FN5 FC5A ga_24
4230 FC9A FC5A FN5 ga_26
4231 FC9A FC5A FC6 ga_26
4232 FN5 FC5A FC6 ga_26
4233 FC5A FC6 FC7 ga_26
4234 FC6 FC7 FCM7 ga_26
4235 FC6 FC7 FC8 ga_26
4236 FCM7 FC7 FC8 ga_26
4237 FC7 FC8 FCM8 ga_26
4238 FC7 FC8 FC9 ga_26
4239 FCM8 FC8 FC9 ga_26
4240 FC9A FC9 FC8 ga_26
4241 FN10 FCA FCB ga_14
4242 FCA FCB FOB ga_14
4243 FCA FCB FCG ga_14
4244 FOB FCB FCG ga_12
4245 FCB FOB FHB ga_11
4246 FCB FCG FOG ga_12
4247 FCB FCG FCD ga_14
4248 FOG FCG FCD ga_12
4249 FCG FOG FHG ga_11
4250 FCG FCD FOD ga_12
4251 FCG FCD FCE ga_14
4252 FOD FCD FCE ga_14
4253 FCD FOD FHD ga_11
4254 FCD FCE FOZ ga_14
4255 FCE FOZ FPH ga_25
4256 FOZ FPH FOH ga_4
4257 FOZ FPH FOT1 ga_13
4258 FOZ FPH FOT2 ga_13
4259 FOH FPH FOT1 ga_13
4260 FOH FPH FOT2 ga_13
4261 FOT1 FPH FOT2 ga_28
4262 FPH FOH FHH ga_11
4263 [ impropers ]
4264 ; ai aj ak al gromos type
4265 FN1 FC10A FC2 FH1 gi_1
4266 FC2 FN1 FN3 FO2 gi_1
4267 FN3 FC2 FC4 FH3 gi_1
4268 FC4 FN3 FC4A FO4 gi_1
4269 FN1 FC2 FN3 FC4 gi_1
4270 FC2 FN3 FC4 FC4A gi_1
4271 FN3 FC4 FC4A FC10A gi_1
4272 FC4 FC4A FC10A FN1 gi_1
4273 FC4A FC10A FN1 FC2 gi_1
4274 FC10A FN1 FC2 FN3 gi_1
4275 FC4A FC4 FN5 FC10A gi_1
4276 FC10A FN1 FN10 FC4A gi_1
4277 FN10 FC10A FC4A FN5 gi_1
4278 FN10 FC9A FC5A FN5 gi_1
4279 FC5A FN5 FC6 FC9A gi_1
4280 FC9A FN10 FC9 FC5A gi_1
4281 FC5A FC6 FC7 FC8 gi_1
4282 FC6 FC7 FC8 FC9 gi_1
4283 FC7 FC8 FC9 FC9A gi_1
4284 FC8 FC9 FC9A FC5A gi_1
4285 FC9 FC9A FC5A FC6 gi_1
4286 FC9A FC5A FC6 FC7 gi_1
4287 FC7 FC6 FC8 FCM7 gi_1
4288 FC8 FC7 FC9 FCM8 gi_1
4289 FCB FOB FCG FCA gi_2
4290 FCG FOG FCD FCB gi_2
4291 FCD FOD FCE FCG gi_2
4292 [ dihedrals ]
4293 ; ai aj ak al gromos type
4294 FC10A FC4A FN5 FC5A gd_4
4295 FC4A FN5 FC5A FC9A gd_4
4296 FC5A FC9A FN10 FC10A gd_4
4297 FC9A FN10 FC10A FC4A gd_4
4298 FC9A FN10 FCA FCB gd_20
4299 FN10 FCA FCB FCG gd_17
4300 FCA FCB FOB FHB gd_12
4301 FCA FCB FCG FCD gd_17
4302 FCB FCG FOG FHG gd_12
4303 FCB FCG FCD FCE gd_17
4304 FCG FCD FOD FHD gd_12
4305 FCG FCD FCE FOZ gd_17
4306 FCD FCE FOZ FPH gd_14
4307 FCE FOZ FPH FOH gd_11
4308 FCE FOZ FPH FOH gd_9
4309 FOZ FPH FOH FHH gd_11
4310 FOZ FPH FOH FHH gd_9
4312 [ PFN ]
4313 [ atoms ]
4314 FC9A C 0.00000 0
4315 FC10 CR1 0.00000 0
4316 FC10A C 0.00000 0
4317 FC1 CR1 0.00000 1
4318 FC2 CR1 0.00000 1
4319 FC3 C 0.00000 2
4320 FN3 NT -0.83000 3
4321 FH31 H 0.41500 3
4322 FH32 H 0.41500 3
4323 FC4 CR1 0.00000 4
4324 FC4A C 0.15000 5
4325 FN5 NR 0.28500 5
4326 FH5 H 0.41500 5
4327 FC5A C 0.15000 5
4328 FC6 CR1 0.00000 6
4329 FC7 C 0.00000 7
4330 FN7 NT -0.83000 8
4331 FH71 H 0.41500 8
4332 FH72 H 0.41500 8
4333 FC8 CR1 0.00000 9
4334 FC9 CR1 0.00000 9
4335 [ bonds ]
4336 FC9A FC10 gb_15
4337 FC9A FC5A gb_15
4338 FC9A FC9 gb_15
4339 FC10 FC10A gb_15
4340 FC10A FC1 gb_15
4341 FC10A FC4A gb_15
4342 FC1 FC2 gb_15
4343 FC2 FC3 gb_15
4344 FC3 FN3 gb_8
4345 FC3 FC4 gb_15
4346 FN3 FH31 gb_2
4347 FN3 FH32 gb_2
4348 FC4 FC4A gb_15
4349 FC4A FN5 gb_16
4350 FN5 FH5 gb_2
4351 FN5 FC5A gb_16
4352 FC5A FC6 gb_15
4353 FC6 FC7 gb_15
4354 FC7 FN7 gb_8
4355 FC7 FC8 gb_15
4356 FN7 FH71 gb_2
4357 FN7 FH72 gb_2
4358 FC8 FC9 gb_15
4359 [ exclusions ]
4360 ; ai aj
4361 FC9A FC1
4362 FC9A FC4A
4363 FC9A FH5
4364 FC9A FC7
4365 FC10 FC2
4366 FC10 FC4
4367 FC10 FN5
4368 FC10 FC6
4369 FC10 FC8
4370 FC10A FC3
4371 FC10A FH5
4372 FC10A FC5A
4373 FC10A FC9
4374 FC1 FN3
4375 FC1 FC4
4376 FC1 FN5
4377 FC2 FC4A
4378 FC3 FN5
4379 FN3 FC4A
4380 FC4 FH5
4381 FC4 FC5A
4382 FC4A FC6
4383 FN5 FC7
4384 FN5 FC9
4385 FH5 FC6
4386 FC5A FN7
4387 FC5A FC8
4388 FC6 FC9
4389 FN7 FC9
4390 [ angles ]
4391 ; ai aj ak gromos type
4392 FC10 FC9A FC5A ga_26
4393 FC10 FC9A FC9 ga_26
4394 FC5A FC9A FC9 ga_26
4395 FC9A FC10 FC10A ga_26
4396 FC10 FC10A FC1 ga_26
4397 FC10 FC10A FC4A ga_26
4398 FC1 FC10A FC4A ga_26
4399 FC10A FC1 FC2 ga_26
4400 FC1 FC2 FC3 ga_26
4401 FC2 FC3 FN3 ga_26
4402 FC2 FC3 FC4 ga_26
4403 FN3 FC3 FC4 ga_26
4404 FC3 FN3 FH31 ga_22
4405 FC3 FN3 FH32 ga_22
4406 FH31 FN3 FH32 ga_23
4407 FC3 FC4 FC4A ga_26
4408 FC10A FC4A FC4 ga_26
4409 FC10A FC4A FN5 ga_26
4410 FC4 FC4A FN5 ga_26
4411 FC4A FN5 FH5 ga_24
4412 FC4A FN5 FC5A ga_26
4413 FH5 FN5 FC5A ga_24
4414 FC9A FC5A FN5 ga_26
4415 FC9A FC5A FC6 ga_26
4416 FN5 FC5A FC6 ga_26
4417 FC5A FC6 FC7 ga_26
4418 FC6 FC7 FN7 ga_26
4419 FC6 FC7 FC8 ga_26
4420 FN7 FC7 FC8 ga_26
4421 FC7 FN7 FH71 ga_22
4422 FC7 FN7 FH72 ga_22
4423 FH71 FN7 FH72 ga_23
4424 FC7 FC8 FC9 ga_26
4425 FC8 FC9 FC9A ga_26
4426 [ impropers ]
4427 ; ai aj ak al gromos type
4428 FC9A FC10 FC10A FC4A gi_1
4429 FC10 FC10A FC4A FN5 gi_1
4430 FC10A FC4A FN5 FC5A gi_1
4431 FC4A FN5 FC5A FC9A gi_1
4432 FN5 FC5A FC9A FC10 gi_1
4433 FC5A FC9A FC10 FC10A gi_1
4434 FN5 FC4A FC5A FH5 gi_1
4435 FC10A FC1 FC10 FC4A gi_1
4436 FC4A FC4 FN5 FC10A gi_1
4437 FC4A FC10A FC1 FC2 gi_1
4438 FC10A FC1 FC2 FC3 gi_1
4439 FC1 FC2 FC3 FC4 gi_1
4440 FC2 FC3 FC4 FC4A gi_1
4441 FC3 FC4 FC4A FC10A gi_1
4442 FC4 FC4A FC10A FC1 gi_1
4443 FC3 FC2 FC4 FN3 gi_1
4444 FN3 FH31 FH32 FC3 gi_1
4445 FC5A FN5 FC6 FC9A gi_1
4446 FC9A FC10 FC9 FC5A gi_1
4447 FC5A FC6 FC7 FC8 gi_1
4448 FC6 FC7 FC8 FC9 gi_1
4449 FC7 FC8 FC9 FC9A gi_1
4450 FC8 FC9 FC9A FC5A gi_1
4451 FC9 FC9A FC5A FC6 gi_1
4452 FC9A FC5A FC6 FC7 gi_1
4453 FC7 FC8 FC6 FN7 gi_1
4454 FN7 FH71 FH72 FC7 gi_1
4455 [ dihedrals ]
4456 ; ai aj ak al gromos type
4457 FC2 FC3 FN3 FH31 gd_4
4458 FC8 FC7 FN7 FH71 gd_4
4460 [ NADP ]
4461 [ atoms ]
4462 AP P 0.76000 0
4463 AO1P OM -0.63500 0
4464 AO2P OM -0.63500 0
4465 AO5* OA -0.36000 0
4466 O3P OA -0.26000 1
4467 NP P 0.76000 1
4468 NO1P OM -0.63500 1
4469 NO2P OM -0.63500 1
4470 NO5* OA -0.36000 1
4471 AC5* CH2 0.00000 2
4472 AC4* CH1 0.16000 3
4473 AO4* OA -0.36000 3
4474 AC1* CH1 0.20000 3
4475 AN9 NR -0.20000 4
4476 AC4 C 0.20000 4
4477 AN3 NR -0.36000 5
4478 AC2 CR1 0.36000 5
4479 AN1 NR -0.36000 6
4480 AC6 C 0.36000 6
4481 AN6 NT -0.83000 7
4482 AH61 H 0.41500 7
4483 AH62 H 0.41500 7
4484 AC5 C 0.00000 8
4485 AN7 NR -0.36000 8
4486 AC8 CR1 0.36000 8
4487 AC2* CH1 0.15000 9
4488 AO2* OA -0.54800 9
4489 AH2* H 0.39800 9
4490 AC3* CH1 0.15000 10
4491 AO3* OA -0.54800 10
4492 AH3* H 0.39800 10
4493 NC5* CH2 0.00000 11
4494 NC4* CH1 0.16000 12
4495 NO4* OA -0.36000 12
4496 NC1* CH1 0.20000 12
4497 NN1 NR 0.10000 13
4498 NC6 CR1 0.30000 13
4499 NC2 CR1 0.25000 13
4500 NC3 C 0.00000 13
4501 NC4 CR1 0.25000 13
4502 NC5 CR1 0.10000 13
4503 NC7 C 0.38000 14
4504 NO7 O -0.38000 14
4505 NN7 NT -0.83000 15
4506 NH71 H 0.41500 15
4507 NH72 H 0.41500 15
4508 NC2* CH1 0.15000 16
4509 NO2* OA -0.54800 16
4510 NH2* H 0.39800 16
4511 NC3* CH1 0.15000 17
4512 NO3* OA -0.54800 17
4513 NH3* H 0.39800 17
4514 [ bonds ]
4515 AP AO1P gb_23
4516 AP AO2P gb_23
4517 AP AO5* gb_27
4518 AP O3P gb_27
4519 AO5* AC5* gb_19
4520 O3P NP gb_27
4521 NP NO1P gb_23
4522 NP NO2P gb_23
4523 NP NO5* gb_27
4524 NO5* NC5* gb_19
4525 AC5* AC4* gb_25
4526 AC4* AO4* gb_19
4527 AC4* AC3* gb_25
4528 AO4* AC1* gb_19
4529 AC1* AN9 gb_21
4530 AC1* AC2* gb_25
4531 AN9 AC4 gb_9
4532 AN9 AC8 gb_9
4533 AC4 AN3 gb_11
4534 AC4 AC5 gb_15
4535 AN3 AC2 gb_6
4536 AC2 AN1 gb_6
4537 AN1 AC6 gb_11
4538 AC6 AN6 gb_8
4539 AC6 AC5 gb_15
4540 AN6 AH61 gb_2
4541 AN6 AH62 gb_2
4542 AC5 AN7 gb_9
4543 AN7 AC8 gb_9
4544 AC2* AO2* gb_19
4545 AC2* AC3* gb_25
4546 AO2* AH2* gb_1
4547 AC3* AO3* gb_19
4548 AO3* AH3* gb_1
4549 NC5* NC4* gb_25
4550 NC4* NO4* gb_19
4551 NC4* NC3* gb_25
4552 NO4* NC1* gb_19
4553 NC1* NN1 gb_22
4554 NC1* NC2* gb_25
4555 NN1 NC6 gb_16
4556 NN1 NC2 gb_16
4557 NC6 NC5 gb_15
4558 NC2 NC3 gb_15
4559 NC3 NC4 gb_15
4560 NC3 NC7 gb_26
4561 NC4 NC5 gb_15
4562 NC7 NO7 gb_4
4563 NC7 NN7 gb_8
4564 NN7 NH71 gb_2
4565 NN7 NH72 gb_2
4566 NC2* NO2* gb_19
4567 NC2* NC3* gb_25
4568 NO2* NH2* gb_1
4569 NC3* NO3* gb_19
4570 NO3* NH3* gb_1
4571 [ exclusions ]
4572 ; ai aj
4573 AC1* AN3
4574 AC1* AC5
4575 AC1* AN7
4576 AN9 AC2
4577 AN9 AC6
4578 AC4 AN1
4579 AC4 AN6
4580 AN3 AC6
4581 AN3 AN7
4582 AN3 AC8
4583 AC2 AN6
4584 AC2 AC5
4585 AN1 AN7
4586 AC6 AC8
4587 AN6 AN7
4588 NC1* NC3
4589 NC1* NC5
4590 NN1 NC4
4591 NN1 NC7
4592 NC6 NC3
4593 NC2 NC5
4594 NC5 NC7
4595 [ angles ]
4596 ; ai aj ak gromos type
4597 AO1P AP AO2P ga_28
4598 AO1P AP AO5* ga_13
4599 AO1P AP O3P ga_13
4600 AO2P AP AO5* ga_13
4601 AO2P AP O3P ga_13
4602 AO5* AP O3P ga_4
4603 AP AO5* AC5* ga_25
4604 AP O3P NP ga_25
4605 O3P NP NO1P ga_13
4606 O3P NP NO2P ga_13
4607 O3P NP NO5* ga_4
4608 NO1P NP NO2P ga_28
4609 NO1P NP NO5* ga_13
4610 NO2P NP NO5* ga_13
4611 NP NO5* NC5* ga_25
4612 AO5* AC5* AC4* ga_8
4613 AC5* AC4* AO4* ga_8
4614 AC5* AC4* AC3* ga_7
4615 AO4* AC4* AC3* ga_8
4616 AC4* AO4* AC1* ga_9
4617 AO4* AC1* AN9 ga_8
4618 AO4* AC1* AC2* ga_8
4619 AN9 AC1* AC2* ga_8
4620 AC1* AN9 AC4 ga_36
4621 AC1* AN9 AC8 ga_36
4622 AC4 AN9 AC8 ga_6
4623 AN9 AC4 AN3 ga_38
4624 AN9 AC4 AC5 ga_6
4625 AN3 AC4 AC5 ga_26
4626 AC4 AN3 AC2 ga_26
4627 AN3 AC2 AN1 ga_26
4628 AC2 AN1 AC6 ga_26
4629 AN1 AC6 AN6 ga_26
4630 AN1 AC6 AC5 ga_26
4631 AN6 AC6 AC5 ga_26
4632 AC6 AN6 AH61 ga_22
4633 AC6 AN6 AH62 ga_22
4634 AH61 AN6 AH62 ga_23
4635 AC4 AC5 AC6 ga_26
4636 AC4 AC5 AN7 ga_6
4637 AC6 AC5 AN7 ga_38
4638 AC5 AN7 AC8 ga_6
4639 AN9 AC8 AN7 ga_6
4640 AC1* AC2* AO2* ga_8
4641 AC1* AC2* AC3* ga_7
4642 AO2* AC2* AC3* ga_8
4643 AC2* AO2* AH2* ga_11
4644 AC4* AC3* AC2* ga_7
4645 AC4* AC3* AO3* ga_8
4646 AC2* AC3* AO3* ga_8
4647 AC3* AO3* AH3* ga_11
4648 NO5* NC5* NC4* ga_8
4649 NC5* NC4* NO4* ga_8
4650 NC5* NC4* NC3* ga_7
4651 NO4* NC4* NC3* ga_8
4652 NC4* NO4* NC1* ga_9
4653 NO4* NC1* NN1 ga_8
4654 NO4* NC1* NC2* ga_8
4655 NN1 NC1* NC2* ga_7
4656 NC1* NN1 NC6 ga_26
4657 NC1* NN1 NC2 ga_26
4658 NC6 NN1 NC2 ga_26
4659 NN1 NC6 NC5 ga_26
4660 NN1 NC2 NC3 ga_26
4661 NC2 NC3 NC4 ga_26
4662 NC2 NC3 NC7 ga_26
4663 NC4 NC3 NC7 ga_26
4664 NC3 NC4 NC5 ga_26
4665 NC6 NC5 NC4 ga_26
4666 NC3 NC7 NO7 ga_29
4667 NC3 NC7 NN7 ga_18
4668 NO7 NC7 NN7 ga_32
4669 NC7 NN7 NH71 ga_22
4670 NC7 NN7 NH72 ga_22
4671 NH71 NN7 NH72 ga_23
4672 NC1* NC2* NO2* ga_8
4673 NC1* NC2* NC3* ga_7
4674 NO2* NC2* NC3* ga_8
4675 NC2* NO2* NH2* ga_11
4676 NC4* NC3* NC2* ga_7
4677 NC4* NC3* NO3* ga_8
4678 NC2* NC3* NO3* ga_8
4679 NC3* NO3* NH3* ga_11
4680 [ impropers ]
4681 ; ai aj ak al gromos type
4682 AC4* AO4* AC5* AC3* gi_2
4683 AC3* AC2* AO3* AC4* gi_2
4684 AC2* AO2* AC3* AC1* gi_2
4685 AC1* AN9 AO4* AC2* gi_2
4686 AN9 AC8 AC4 AC1* gi_1
4687 AC4 AN9 AC8 AN7 gi_1
4688 AC8 AN9 AC4 AC5 gi_1
4689 AN9 AC8 AN7 AC5 gi_1
4690 AN9 AC4 AC5 AN7 gi_1
4691 AC8 AN7 AC5 AC4 gi_1
4692 AC4 AN9 AN3 AC5 gi_1
4693 AC5 AC6 AN7 AC4 gi_1
4694 AN3 AC4 AC5 AC6 gi_1
4695 AC4 AC5 AC6 AN1 gi_1
4696 AC5 AC4 AN3 AC2 gi_1
4697 AC5 AC6 AN1 AC2 gi_1
4698 AC4 AN3 AC2 AN1 gi_1
4699 AN3 AC2 AN1 AC6 gi_1
4700 AC6 AC5 AN1 AN6 gi_1
4701 AN6 AH61 AH62 AC6 gi_1
4702 NC4* NO4* NC5* NC3* gi_2
4703 NC3* NC2* NO3* NC4* gi_2
4704 NC2* NO2* NC3* NC1* gi_2
4705 NC1* NN1 NO4* NC2* gi_2
4706 NN1 NC6 NC2 NC1* gi_1
4707 NC2 NN1 NC6 NC5 gi_1
4708 NC6 NN1 NC2 NC3 gi_1
4709 NN1 NC6 NC5 NC4 gi_1
4710 NN1 NC2 NC3 NC4 gi_1
4711 NC6 NC5 NC4 NC3 gi_1
4712 NC2 NC3 NC4 NC5 gi_1
4713 NC3 NC4 NC2 NC7 gi_1
4714 NC7 NO7 NN7 NC3 gi_1
4715 NN7 NH71 NH72 NC7 gi_1
4716 [ dihedrals ]
4717 ; ai aj ak al gromos type
4718 AO5* AP O3P NP gd_11
4719 AO5* AP O3P NP gd_9
4720 O3P AP AO5* AC5* gd_11
4721 O3P AP AO5* AC5* gd_9
4722 AP AO5* AC5* AC4* gd_14
4723 AO5* AC5* AC4* AC3* gd_17
4724 AO5* AC5* AC4* AC3* gd_7
4725 AO5* AC5* AC4* AO4* gd_8
4726 AC5* AC4* AC3* AC2* gd_17
4727 AC5* AC4* AC3* AO3* gd_7
4728 AO4* AC4* AC3* AC2* gd_7
4729 AO4* AC4* AC3* AO3* gd_8
4730 AC4* AC3* AC2* AC1* gd_17
4731 AO3* AC3* AC2* AC1* gd_7
4732 AC4* AC3* AC2* AO2* gd_7
4733 AO3* AC3* AC2* AO2* gd_8
4734 AC3* AC2* AC1* AO4* gd_17
4735 AC3* AC2* AC1* AO4* gd_7
4736 AO2* AC2* AC1* AN9 gd_7
4737 AO2* AC2* AC1* AO4* gd_8
4738 AC3* AC4* AO4* AC1* gd_14
4739 AC4* AO4* AC1* AC2* gd_14
4740 AC1* AC2* AO2* AH2* gd_12
4741 AC4* AC3* AO3* AH3* gd_12
4742 AO4* AC1* AN9 AC4 gd_6
4743 AC5 AC6 AN6 AH61 gd_4
4744 AP O3P NP NO5* gd_11
4745 AP O3P NP NO5* gd_9
4746 O3P NP NO5* NC5* gd_11
4747 O3P NP NO5* NC5* gd_9
4748 NP NO5* NC5* NC4* gd_14
4749 NO5* NC5* NC4* NC3* gd_17
4750 NO5* NC5* NC4* NC3* gd_7
4751 NO5* NC5* NC4* NO4* gd_8
4752 NC5* NC4* NC3* NC2* gd_17
4753 NC5* NC4* NC3* NO3* gd_7
4754 NO4* NC4* NC3* NC2* gd_7
4755 NO4* NC4* NC3* NO3* gd_8
4756 NC4* NC3* NC2* NC1* gd_17
4757 NO3* NC3* NC2* NC1* gd_7
4758 NC4* NC3* NC2* NO2* gd_7
4759 NO3* NC3* NC2* NO2* gd_8
4760 NC3* NC2* NC1* NO4* gd_17
4761 NC3* NC2* NC1* NO4* gd_7
4762 NO2* NC2* NC1* NN1 gd_7
4763 NO2* NC2* NC1* NO4* gd_8
4764 NC3* NC4* NO4* NC1* gd_14
4765 NC4* NO4* NC1* NC2* gd_14
4766 NC1* NC2* NO2* NH2* gd_12
4767 NC4* NC3* NO3* NH3* gd_12
4768 NO4* NC1* NN1 NC2 gd_6
4769 NC2 NC3 NC7 NN7 gd_1
4770 NC3 NC7 NN7 NH71 gd_4
4772 [ NADH ]
4773 [ atoms ]
4774 AP P 0.76000 0
4775 AO1P OM -0.63500 0
4776 AO2P OM -0.63500 0
4777 AO5* OA -0.36000 0
4778 O3P OA -0.26000 1
4779 NP P 0.76000 1
4780 NO1P OM -0.63500 1
4781 NO2P OM -0.63500 1
4782 NO5* OA -0.36000 1
4783 AC5* CH2 0.00000 2
4784 AC4* CH1 0.16000 3
4785 AO4* OA -0.36000 3
4786 AC1* CH1 0.20000 3
4787 AN9 NR -0.20000 4
4788 AC4 C 0.20000 4
4789 AN3 NR -0.36000 5
4790 AC2 CR1 0.36000 5
4791 AN1 NR -0.36000 6
4792 AC6 C 0.36000 6
4793 AN6 NT -0.83000 7
4794 AH61 H 0.41500 7
4795 AH62 H 0.41500 7
4796 AC5 C 0.00000 8
4797 AN7 NR -0.36000 8
4798 AC8 CR1 0.36000 8
4799 AC2* CH1 0.15000 9
4800 AO2* OA -0.54800 9
4801 AH2* H 0.39800 9
4802 AC3* CH1 0.15000 10
4803 AO3* OA -0.54800 10
4804 AH3* H 0.39800 10
4805 NC5* CH2 0.00000 11
4806 NC4* CH1 0.16000 12
4807 NO4* OA -0.36000 12
4808 NC1* CH1 0.20000 12
4809 NN1 NR -0.20000 13
4810 NC6 CR1 0.20000 13
4811 NC2 CR1 0.00000 13
4812 NC3 C 0.00000 13
4813 NC4 CH2 0.00000 13
4814 NC5 CR1 0.00000 13
4815 NC7 C 0.38000 14
4816 NO7 O -0.38000 14
4817 NN7 NT -0.83000 15
4818 NH71 H 0.41500 15
4819 NH72 H 0.41500 15
4820 NC2* CH1 0.15000 16
4821 NO2* OA -0.54800 16
4822 NH2* H 0.39800 16
4823 NC3* CH1 0.15000 17
4824 NO3* OA -0.54800 17
4825 NH3* H 0.39800 17
4826 [ bonds ]
4827 AP AO1P gb_23
4828 AP AO2P gb_23
4829 AP AO5* gb_27
4830 AP O3P gb_27
4831 AO5* AC5* gb_19
4832 O3P NP gb_27
4833 NP NO1P gb_23
4834 NP NO2P gb_23
4835 NP NO5* gb_27
4836 NO5* NC5* gb_19
4837 AC5* AC4* gb_25
4838 AC4* AO4* gb_19
4839 AC4* AC3* gb_25
4840 AO4* AC1* gb_19
4841 AC1* AN9 gb_21
4842 AC1* AC2* gb_25
4843 AN9 AC4 gb_9
4844 AN9 AC8 gb_9
4845 AC4 AN3 gb_11
4846 AC4 AC5 gb_15
4847 AN3 AC2 gb_6
4848 AC2 AN1 gb_6
4849 AN1 AC6 gb_11
4850 AC6 AN6 gb_8
4851 AC6 AC5 gb_15
4852 AN6 AH61 gb_2
4853 AN6 AH62 gb_2
4854 AC5 AN7 gb_9
4855 AN7 AC8 gb_9
4856 AC2* AO2* gb_19
4857 AC2* AC3* gb_25
4858 AO2* AH2* gb_1
4859 AC3* AO3* gb_19
4860 AO3* AH3* gb_1
4861 NC5* NC4* gb_25
4862 NC4* NO4* gb_19
4863 NC4* NC3* gb_25
4864 NO4* NC1* gb_19
4865 NC1* NN1 gb_22
4866 NC1* NC2* gb_25
4867 NN1 NC6 gb_16
4868 NN1 NC2 gb_16
4869 NC6 NC5 gb_15
4870 NC2 NC3 gb_15
4871 NC3 NC4 gb_14
4872 NC3 NC7 gb_26
4873 NC4 NC5 gb_14
4874 NC7 NO7 gb_4
4875 NC7 NN7 gb_8
4876 NN7 NH71 gb_2
4877 NN7 NH72 gb_2
4878 NC2* NO2* gb_19
4879 NC2* NC3* gb_25
4880 NO2* NH2* gb_1
4881 NC3* NO3* gb_19
4882 NO3* NH3* gb_1
4883 [ exclusions ]
4884 ; ai aj
4885 AC1* AN3
4886 AC1* AC5
4887 AC1* AN7
4888 AN9 AC2
4889 AN9 AC6
4890 AC4 AN1
4891 AC4 AN6
4892 AN3 AC6
4893 AN3 AN7
4894 AN3 AC8
4895 AC2 AN6
4896 AC2 AC5
4897 AN1 AN7
4898 AC6 AC8
4899 AN6 AN7
4900 NC1* NC3
4901 NC1* NC5
4902 NN1 NC4
4903 NN1 NC7
4904 NC6 NC3
4905 NC2 NC5
4906 NC5 NC7
4907 [ angles ]
4908 ; ai aj ak gromos type
4909 AO1P AP AO2P ga_28
4910 AO1P AP AO5* ga_13
4911 AO1P AP O3P ga_13
4912 AO2P AP AO5* ga_13
4913 AO2P AP O3P ga_13
4914 AO5* AP O3P ga_4
4915 AP AO5* AC5* ga_25
4916 AP O3P NP ga_25
4917 O3P NP NO1P ga_13
4918 O3P NP NO2P ga_13
4919 O3P NP NO5* ga_4
4920 NO1P NP NO2P ga_28
4921 NO1P NP NO5* ga_13
4922 NO2P NP NO5* ga_13
4923 NP NO5* NC5* ga_25
4924 AO5* AC5* AC4* ga_8
4925 AC5* AC4* AO4* ga_8
4926 AC5* AC4* AC3* ga_7
4927 AO4* AC4* AC3* ga_8
4928 AC4* AO4* AC1* ga_9
4929 AO4* AC1* AN9 ga_8
4930 AO4* AC1* AC2* ga_8
4931 AN9 AC1* AC2* ga_8
4932 AC1* AN9 AC4 ga_36
4933 AC1* AN9 AC8 ga_36
4934 AC4 AN9 AC8 ga_6
4935 AN9 AC4 AN3 ga_38
4936 AN9 AC4 AC5 ga_6
4937 AN3 AC4 AC5 ga_26
4938 AC4 AN3 AC2 ga_26
4939 AN3 AC2 AN1 ga_26
4940 AC2 AN1 AC6 ga_26
4941 AN1 AC6 AN6 ga_26
4942 AN1 AC6 AC5 ga_26
4943 AN6 AC6 AC5 ga_26
4944 AC6 AN6 AH61 ga_22
4945 AC6 AN6 AH62 ga_22
4946 AH61 AN6 AH62 ga_23
4947 AC4 AC5 AC6 ga_26
4948 AC4 AC5 AN7 ga_6
4949 AC6 AC5 AN7 ga_38
4950 AC5 AN7 AC8 ga_6
4951 AN9 AC8 AN7 ga_6
4952 AC1* AC2* AO2* ga_8
4953 AC1* AC2* AC3* ga_7
4954 AO2* AC2* AC3* ga_8
4955 AC2* AO2* AH2* ga_11
4956 AC4* AC3* AC2* ga_7
4957 AC4* AC3* AO3* ga_8
4958 AC2* AC3* AO3* ga_8
4959 AC3* AO3* AH3* ga_11
4960 NO5* NC5* NC4* ga_8
4961 NC5* NC4* NO4* ga_8
4962 NC5* NC4* NC3* ga_7
4963 NO4* NC4* NC3* ga_8
4964 NC4* NO4* NC1* ga_9
4965 NO4* NC1* NN1 ga_8
4966 NO4* NC1* NC2* ga_8
4967 NN1 NC1* NC2* ga_7
4968 NC1* NN1 NC6 ga_26
4969 NC1* NN1 NC2 ga_26
4970 NC6 NN1 NC2 ga_26
4971 NN1 NC6 NC5 ga_26
4972 NN1 NC2 NC3 ga_26
4973 NC2 NC3 NC4 ga_26
4974 NC2 NC3 NC7 ga_26
4975 NC4 NC3 NC7 ga_26
4976 NC3 NC4 NC5 ga_26
4977 NC6 NC5 NC4 ga_26
4978 NC3 NC7 NO7 ga_29
4979 NC3 NC7 NN7 ga_18
4980 NO7 NC7 NN7 ga_32
4981 NC7 NN7 NH71 ga_22
4982 NC7 NN7 NH72 ga_22
4983 NH71 NN7 NH72 ga_23
4984 NC1* NC2* NO2* ga_8
4985 NC1* NC2* NC3* ga_7
4986 NO2* NC2* NC3* ga_8
4987 NC2* NO2* NH2* ga_11
4988 NC4* NC3* NC2* ga_7
4989 NC4* NC3* NO3* ga_8
4990 NC2* NC3* NO3* ga_8
4991 NC3* NO3* NH3* ga_11
4992 [ impropers ]
4993 ; ai aj ak al gromos type
4994 AC4* AO4* AC5* AC3* gi_2
4995 AC3* AC2* AO3* AC4* gi_2
4996 AC2* AO2* AC3* AC1* gi_2
4997 AC1* AN9 AO4* AC2* gi_2
4998 AN9 AC8 AC4 AC1* gi_1
4999 AC4 AN9 AC8 AN7 gi_1
5000 AC8 AN9 AC4 AC5 gi_1
5001 AN9 AC8 AN7 AC5 gi_1
5002 AN9 AC4 AC5 AN7 gi_1
5003 AC8 AN7 AC5 AC4 gi_1
5004 AC4 AN9 AN3 AC5 gi_1
5005 AC5 AC6 AN7 AC4 gi_1
5006 AN3 AC4 AC5 AC6 gi_1
5007 AC4 AC5 AC6 AN1 gi_1
5008 AC5 AC4 AN3 AC2 gi_1
5009 AC5 AC6 AN1 AC2 gi_1
5010 AC4 AN3 AC2 AN1 gi_1
5011 AN3 AC2 AN1 AC6 gi_1
5012 AC6 AC5 AN1 AN6 gi_1
5013 AN6 AH61 AH62 AC6 gi_1
5014 NC4* NO4* NC5* NC3* gi_1
5015 NC3* NC2* NO3* NC4* gi_1
5016 NC2* NO2* NC3* NC1* gi_1
5017 NC1* NN1 NO4* NC2* gi_1
5018 NN1 NC6 NC2 NC1* gi_1
5019 NC2 NN1 NC6 NC5 gi_1
5020 NC6 NN1 NC2 NC3 gi_1
5021 NN1 NC6 NC5 NC4 gi_1
5022 NN1 NC2 NC3 NC4 gi_1
5023 NC6 NC5 NC4 NC3 gi_1
5024 NC2 NC3 NC4 NC5 gi_1
5025 NC3 NC4 NC2 NC7 gi_1
5026 NC7 NO7 NN7 NC3 gi_1
5027 NN7 NH71 NH72 NC7 gi_1
5028 [ dihedrals ]
5029 ; ai aj ak al gromos type
5030 AO5* AP O3P NP gd_11
5031 AO5* AP O3P NP gd_9
5032 O3P AP AO5* AC5* gd_11
5033 O3P AP AO5* AC5* gd_9
5034 AP AO5* AC5* AC4* gd_14
5035 AO5* AC5* AC4* AC3* gd_17
5036 AO5* AC5* AC4* AC3* gd_7
5037 AO5* AC5* AC4* AO4* gd_8
5038 AC5* AC4* AC3* AC2* gd_17
5039 AC5* AC4* AC3* AO3* gd_7
5040 AO4* AC4* AC3* AC2* gd_7
5041 AO4* AC4* AC3* AO3* gd_8
5042 AC4* AC3* AC2* AC1* gd_17
5043 AO3* AC3* AC2* AC1* gd_7
5044 AC4* AC3* AC2* AO2* gd_7
5045 AO3* AC3* AC2* AO2* gd_8
5046 AC3* AC2* AC1* AO4* gd_17
5047 AC3* AC2* AC1* AO4* gd_7
5048 AO2* AC2* AC1* AN9 gd_7
5049 AO2* AC2* AC1* AO4* gd_8
5050 AC3* AC4* AO4* AC1* gd_14
5051 AC4* AO4* AC1* AC2* gd_14
5052 AC1* AC2* AO2* AH2* gd_12
5053 AC4* AC3* AO3* AH3* gd_12
5054 AO4* AC1* AN9 AC4 gd_6
5055 AC5 AC6 AN6 AH61 gd_4
5056 AP O3P NP NO5* gd_11
5057 AP O3P NP NO5* gd_9
5058 O3P NP NO5* NC5* gd_11
5059 O3P NP NO5* NC5* gd_9
5060 NP NO5* NC5* NC4* gd_14
5061 NO5* NC5* NC4* NC3* gd_17
5062 NO5* NC5* NC4* NC3* gd_7
5063 NO5* NC5* NC4* NO4* gd_8
5064 NC5* NC4* NC3* NC2* gd_17
5065 NC5* NC4* NC3* NO3* gd_7
5066 NO4* NC4* NC3* NC2* gd_7
5067 NO4* NC4* NC3* NO3* gd_8
5068 NC4* NC3* NC2* NC1* gd_17
5069 NO3* NC3* NC2* NC1* gd_7
5070 NC4* NC3* NC2* NO2* gd_7
5071 NO3* NC3* NC2* NO2* gd_8
5072 NC3* NC2* NC1* NO4* gd_17
5073 NC3* NC2* NC1* NO4* gd_7
5074 NO2* NC2* NC1* NN1 gd_7
5075 NO2* NC2* NC1* NO4* gd_8
5076 NC3* NC4* NO4* NC1* gd_14
5077 NC4* NO4* NC1* NC2* gd_14
5078 NC1* NC2* NO2* NH2* gd_12
5079 NC4* NC3* NO3* NH3* gd_12
5080 NO4* NC1* NN1 NC2 gd_6
5081 NC2 NC3 NC7 NN7 gd_1
5082 NC3 NC7 NN7 NH71 gd_4
5084 [ NDPH ]
5085 [ atoms ]
5086 AP P 0.76000 0
5087 AO1P OM -0.63500 0
5088 AO2P OM -0.63500 0
5089 AO5* OA -0.36000 0
5090 O3P OA -0.26000 1
5091 NP P 0.76000 1
5092 NO1P OM -0.63500 1
5093 NO2P OM -0.63500 1
5094 NO5* OA -0.36000 1
5095 AC5* CH2 0.00000 2
5096 AC4* CH1 0.16000 3
5097 AO4* OA -0.36000 3
5098 AC1* CH1 0.20000 3
5099 AN9 NR -0.20000 4
5100 AC4 C 0.20000 4
5101 AN3 NR -0.36000 5
5102 AC2 CR1 0.36000 5
5103 AN1 NR -0.36000 6
5104 AC6 C 0.36000 6
5105 AN6 NT -0.83000 7
5106 AH61 H 0.41500 7
5107 AH62 H 0.41500 7
5108 AC5 C 0.00000 8
5109 AN7 NR -0.36000 8
5110 AC8 CR1 0.36000 8
5111 AC2* CH1 0.15000 9
5112 AO2* OA -0.36000 9
5113 AP2* P 0.63000 9
5114 AO6* OM -0.63500 9
5115 AO7* OM -0.63500 9
5116 AO8* OA -0.54800 9
5117 AH8* H 0.39800 9
5118 AC3* CH1 0.15000 10
5119 AO3* OA -0.54800 10
5120 AH3* H 0.39800 10
5121 NC5* CH2 0.00000 11
5122 NC4* CH1 0.16000 12
5123 NO4* OA -0.36000 12
5124 NC1* CH1 0.20000 12
5125 NN1 NR -0.20000 13
5126 NC6 CR1 0.20000 13
5127 NC2 CR1 0.00000 13
5128 NC3 C 0.00000 13
5129 NC4 CH2 0.00000 13
5130 NC5 CR1 0.00000 13
5131 NC7 C 0.38000 14
5132 NO7 O -0.38000 14
5133 NN7 NT -0.83000 15
5134 NH71 H 0.41500 15
5135 NH72 H 0.41500 15
5136 NC2* CH1 0.15000 16
5137 NO2* OA -0.54800 16
5138 NH2* H 0.39800 16
5139 NC3* CH1 0.15000 17
5140 NO3* OA -0.54800 17
5141 NH3* H 0.39800 17
5142 [ bonds ]
5143 AP AO1P gb_23
5144 AP AO2P gb_23
5145 AP AO5* gb_27
5146 AP O3P gb_27
5147 AO5* AC5* gb_19
5148 O3P NP gb_27
5149 NP NO1P gb_23
5150 NP NO2P gb_23
5151 NP NO5* gb_27
5152 NO5* NC5* gb_19
5153 AC5* AC4* gb_25
5154 AC4* AO4* gb_19
5155 AC4* AC3* gb_25
5156 AO4* AC1* gb_19
5157 AC1* AN9 gb_21
5158 AC1* AC2* gb_25
5159 AN9 AC4 gb_9
5160 AN9 AC8 gb_9
5161 AC4 AN3 gb_11
5162 AC4 AC5 gb_15
5163 AN3 AC2 gb_6
5164 AC2 AN1 gb_6
5165 AN1 AC6 gb_11
5166 AC6 AN6 gb_8
5167 AC6 AC5 gb_15
5168 AN6 AH61 gb_2
5169 AN6 AH62 gb_2
5170 AC5 AN7 gb_9
5171 AN7 AC8 gb_9
5172 AC2* AO2* gb_19
5173 AC2* AC3* gb_25
5174 AO2* AP2* gb_27
5175 AP2* AO6* gb_23
5176 AP2* AO7* gb_23
5177 AP2* AO8* gb_27
5178 AO8* AH8* gb_1
5179 AC3* AO3* gb_19
5180 AO3* AH3* gb_1
5181 NC5* NC4* gb_25
5182 NC4* NO4* gb_19
5183 NC4* NC3* gb_25
5184 NO4* NC1* gb_19
5185 NC1* NN1 gb_22
5186 NC1* NC2* gb_25
5187 NN1 NC6 gb_16
5188 NN1 NC2 gb_16
5189 NC6 NC5 gb_15
5190 NC2 NC3 gb_15
5191 NC3 NC4 gb_14
5192 NC3 NC7 gb_26
5193 NC4 NC5 gb_14
5194 NC7 NO7 gb_4
5195 NC7 NN7 gb_8
5196 NN7 NH71 gb_2
5197 NN7 NH72 gb_2
5198 NC2* NO2* gb_19
5199 NC2* NC3* gb_25
5200 NO2* NH2* gb_1
5201 NC3* NO3* gb_19
5202 NO3* NH3* gb_1
5203 [ exclusions ]
5204 ; ai aj
5205 AC1* AN3
5206 AC1* AC5
5207 AC1* AN7
5208 AN9 AC2
5209 AN9 AC6
5210 AC4 AN1
5211 AC4 AN6
5212 AN3 AC6
5213 AN3 AN7
5214 AN3 AC8
5215 AC2 AN6
5216 AC2 AC5
5217 AN1 AN7
5218 AC6 AC8
5219 AN6 AN7
5220 AO2* AH8*
5221 AO6* AH8*
5222 AO7* AH8*
5223 NC1* NC3
5224 NC1* NC5
5225 NN1 NC4
5226 NN1 NC7
5227 NC6 NC3
5228 NC2 NC5
5229 NC5 NC7
5230 [ angles ]
5231 ; ai aj ak gromos type
5232 AO1P AP AO2P ga_28
5233 AO1P AP AO5* ga_13
5234 AO1P AP O3P ga_13
5235 AO2P AP AO5* ga_13
5236 AO2P AP O3P ga_13
5237 AO5* AP O3P ga_4
5238 AP AO5* AC5* ga_25
5239 AP O3P NP ga_25
5240 O3P NP NO1P ga_13
5241 O3P NP NO2P ga_13
5242 O3P NP NO5* ga_4
5243 NO1P NP NO2P ga_28
5244 NO1P NP NO5* ga_13
5245 NO2P NP NO5* ga_13
5246 NP NO5* NC5* ga_25
5247 AO5* AC5* AC4* ga_8
5248 AC5* AC4* AO4* ga_8
5249 AC5* AC4* AC3* ga_7
5250 AO4* AC4* AC3* ga_8
5251 AC4* AO4* AC1* ga_9
5252 AO4* AC1* AN9 ga_8
5253 AO4* AC1* AC2* ga_8
5254 AN9 AC1* AC2* ga_8
5255 AC1* AN9 AC4 ga_36
5256 AC1* AN9 AC8 ga_36
5257 AC4 AN9 AC8 ga_6
5258 AN9 AC4 AN3 ga_38
5259 AN9 AC4 AC5 ga_6
5260 AN3 AC4 AC5 ga_26
5261 AC4 AN3 AC2 ga_26
5262 AN3 AC2 AN1 ga_26
5263 AC2 AN1 AC6 ga_26
5264 AN1 AC6 AN6 ga_26
5265 AN1 AC6 AC5 ga_26
5266 AN6 AC6 AC5 ga_26
5267 AC6 AN6 AH61 ga_22
5268 AC6 AN6 AH62 ga_22
5269 AH61 AN6 AH62 ga_23
5270 AC4 AC5 AC6 ga_26
5271 AC4 AC5 AN7 ga_6
5272 AC6 AC5 AN7 ga_38
5273 AC5 AN7 AC8 ga_6
5274 AN9 AC8 AN7 ga_6
5275 AC1* AC2* AO2* ga_8
5276 AC1* AC2* AC3* ga_7
5277 AO2* AC2* AC3* ga_8
5278 AC2* AO2* AP2* ga_25
5279 AO2* AP2* AO6* ga_13
5280 AO2* AP2* AO7* ga_13
5281 AO2* AP2* AO8* ga_4
5282 AO6* AP2* AO7* ga_28
5283 AO6* AP2* AO8* ga_13
5284 AO7* AP2* AO8* ga_13
5285 AP2* AO8* AH8* ga_11
5286 AC4* AC3* AC2* ga_7
5287 AC4* AC3* AO3* ga_8
5288 AC2* AC3* AO3* ga_8
5289 AC3* AO3* AH3* ga_11
5290 NO5* NC5* NC4* ga_8
5291 NC5* NC4* NO4* ga_8
5292 NC5* NC4* NC3* ga_7
5293 NO4* NC4* NC3* ga_8
5294 NC4* NO4* NC1* ga_9
5295 NO4* NC1* NN1 ga_8
5296 NO4* NC1* NC2* ga_8
5297 NN1 NC1* NC2* ga_7
5298 NC1* NN1 NC6 ga_26
5299 NC1* NN1 NC2 ga_26
5300 NC6 NN1 NC2 ga_26
5301 NN1 NC6 NC5 ga_26
5302 NN1 NC2 NC3 ga_26
5303 NC2 NC3 NC4 ga_26
5304 NC2 NC3 NC7 ga_26
5305 NC4 NC3 NC7 ga_26
5306 NC3 NC4 NC5 ga_26
5307 NC6 NC5 NC4 ga_26
5308 NC3 NC7 NO7 ga_29
5309 NC3 NC7 NN7 ga_18
5310 NO7 NC7 NN7 ga_32
5311 NC7 NN7 NH71 ga_22
5312 NC7 NN7 NH72 ga_22
5313 NH71 NN7 NH72 ga_23
5314 NC1* NC2* NO2* ga_8
5315 NC1* NC2* NC3* ga_7
5316 NO2* NC2* NC3* ga_8
5317 NC2* NO2* NH2* ga_11
5318 NC4* NC3* NC2* ga_7
5319 NC4* NC3* NO3* ga_8
5320 NC2* NC3* NO3* ga_8
5321 NC3* NO3* NH3* ga_11
5322 [ impropers ]
5323 ; ai aj ak al gromos type
5324 AC4* AO4* AC5* AC3* gi_2
5325 AC3* AC2* AO3* AC4* gi_2
5326 AC2* AO2* AC3* AC1* gi_2
5327 AC1* AN9 AO4* AC2* gi_2
5328 AN9 AC8 AC4 AC1* gi_1
5329 AC4 AN9 AC8 AN7 gi_1
5330 AC8 AN9 AC4 AC5 gi_1
5331 AN9 AC8 AN7 AC5 gi_1
5332 AN9 AC4 AC5 AN7 gi_1
5333 AC8 AN7 AC5 AC4 gi_1
5334 AC4 AN9 AN3 AC5 gi_1
5335 AC5 AC6 AN7 AC4 gi_1
5336 AN3 AC4 AC5 AC6 gi_1
5337 AC4 AC5 AC6 AN1 gi_1
5338 AC5 AC4 AN3 AC2 gi_1
5339 AC5 AC6 AN1 AC2 gi_1
5340 AC4 AN3 AC2 AN1 gi_1
5341 AN3 AC2 AN1 AC6 gi_1
5342 AC6 AC5 AN1 AN6 gi_1
5343 AN6 AH61 AH62 AC6 gi_1
5344 NC4* NO4* NC5* NC3* gi_2
5345 NC3* NC2* NO3* NC4* gi_2
5346 NC2* NO2* NC3* NC1* gi_2
5347 NC1* NN1 NO4* NC2* gi_2
5348 NN1 NC6 NC2 NC1* gi_1
5349 NC2 NN1 NC6 NC5 gi_1
5350 NC6 NN1 NC2 NC3 gi_1
5351 NN1 NC6 NC5 NC4 gi_1
5352 NN1 NC2 NC3 NC4 gi_1
5353 NC6 NC5 NC4 NC3 gi_1
5354 NC2 NC3 NC4 NC5 gi_1
5355 NC3 NC4 NC2 NC7 gi_1
5356 NC7 NO7 NN7 NC3 gi_1
5357 NN7 NH71 NH72 NC7 gi_1
5358 [ dihedrals ]
5359 ; ai aj ak al gromos type
5360 AO5* AP O3P NP gd_11
5361 AO5* AP O3P NP gd_9
5362 O3P AP AO5* AC5* gd_11
5363 O3P AP AO5* AC5* gd_9
5364 AP AO5* AC5* AC4* gd_14
5365 AO5* AC5* AC4* AC3* gd_17
5366 AO5* AC5* AC4* AC3* gd_7
5367 AO5* AC5* AC4* AO4* gd_8
5368 AC5* AC4* AC3* AC2* gd_17
5369 AC5* AC4* AC3* AO3* gd_7
5370 AO4* AC4* AC3* AC2* gd_7
5371 AO4* AC4* AC3* AO3* gd_8
5372 AC4* AC3* AC2* AC1* gd_17
5373 AO3* AC3* AC2* AC1* gd_7
5374 AC4* AC3* AC2* AO2* gd_7
5375 AO3* AC3* AC2* AO2* gd_8
5376 AC3* AC2* AC1* AO4* gd_17
5377 AC3* AC2* AC1* AO4* gd_7
5378 AO2* AC2* AC1* AN9 gd_7
5379 AO2* AC2* AC1* AO4* gd_8
5380 AC3* AC4* AO4* AC1* gd_14
5381 AC4* AO4* AC1* AC2* gd_14
5382 AC1* AC2* AO2* AP2* gd_12
5383 AC2* AO2* AP2* AO8* gd_11
5384 AC2* AO2* AP2* AO8* gd_9
5385 AO2* AP2* AO8* AH8* gd_11
5386 AO2* AP2* AO8* AH8* gd_9
5387 AC4* AC3* AO3* AH3* gd_12
5388 AO4* AC1* AN9 AC4 gd_6
5389 AC5 AC6 AN6 AH61 gd_4
5390 AP O3P NP NO5* gd_11
5391 AP O3P NP NO5* gd_9
5392 O3P NP NO5* NC5* gd_11
5393 O3P NP NO5* NC5* gd_9
5394 NP NO5* NC5* NC4* gd_14
5395 NO5* NC5* NC4* NC3* gd_17
5396 NO5* NC5* NC4* NC3* gd_7
5397 NO5* NC5* NC4* NO4* gd_8
5398 NC5* NC4* NC3* NC2* gd_17
5399 NC5* NC4* NC3* NO3* gd_7
5400 NO4* NC4* NC3* NC2* gd_7
5401 NO4* NC4* NC3* NO3* gd_8
5402 NC4* NC3* NC2* NC1* gd_17
5403 NO3* NC3* NC2* NC1* gd_7
5404 NC4* NC3* NC2* NO2* gd_7
5405 NO3* NC3* NC2* NO2* gd_8
5406 NC3* NC2* NC1* NO4* gd_17
5407 NC3* NC2* NC1* NO4* gd_7
5408 NO2* NC2* NC1* NN1 gd_7
5409 NO2* NC2* NC1* NO4* gd_8
5410 NC3* NC4* NO4* NC1* gd_14
5411 NC4* NO4* NC1* NC2* gd_14
5412 NC1* NC2* NO2* NH2* gd_12
5413 NC4* NC3* NO3* NH3* gd_12
5414 NO4* NC1* NN1 NC2 gd_6
5415 NC2 NC3 NC7 NN7 gd_1
5416 NC3 NC7 NN7 NH71 gd_4
5418 [ NDPP ]
5419 [ atoms ]
5420 AP P 0.76000 0
5421 AO1P OM -0.63500 0
5422 AO2P OM -0.63500 0
5423 AO5* OA -0.36000 0
5424 O3P OA -0.26000 1
5425 NP P 0.76000 1
5426 NO1P OM -0.63500 1
5427 NO2P OM -0.63500 1
5428 NO5* OA -0.36000 1
5429 AC5* CH2 0.00000 2
5430 AC4* CH1 0.16000 3
5431 AO4* OA -0.36000 3
5432 AC1* CH1 0.20000 3
5433 AN9 NR -0.20000 4
5434 AC4 C 0.20000 4
5435 AN3 NR -0.36000 5
5436 AC2 CR1 0.36000 5
5437 AN1 NR -0.36000 6
5438 AC6 C 0.36000 6
5439 AN6 NT -0.83000 7
5440 AH61 H 0.41500 7
5441 AH62 H 0.41500 7
5442 AC5 C 0.00000 8
5443 AN7 NR -0.36000 8
5444 AC8 CR1 0.36000 8
5445 AC2* CH1 0.15000 9
5446 AO2* OA -0.36000 9
5447 AP2* P 0.63000 9
5448 AO6* OM -0.63500 9
5449 AO7* OM -0.63500 9
5450 AO8* OA -0.54800 9
5451 AH8* H 0.39800 9
5452 AC3* CH1 0.15000 10
5453 AO3* OA -0.54800 10
5454 AH3* H 0.39800 10
5455 NC5* CH2 0.00000 11
5456 NC4* CH1 0.16000 12
5457 NO4* OA -0.36000 12
5458 NC1* CH1 0.20000 12
5459 NN1 NR 0.10000 13
5460 NC6 CR1 0.30000 13
5461 NC2 CR1 0.25000 13
5462 NC3 C 0.00000 13
5463 NC4 CR1 0.25000 13
5464 NC5 CR1 0.10000 13
5465 NC7 C 0.38000 14
5466 NO7 O -0.38000 14
5467 NN7 NT -0.83000 15
5468 NH71 H 0.41500 15
5469 NH72 H 0.41500 15
5470 NC2* CH1 0.15000 16
5471 NO2* OA -0.54800 16
5472 NH2* H 0.39800 16
5473 NC3* CH1 0.15000 17
5474 NO3* OA -0.54800 17
5475 NH3* H 0.39800 17
5476 [ bonds ]
5477 AP AO1P gb_23
5478 AP AO2P gb_23
5479 AP AO5* gb_27
5480 AP O3P gb_27
5481 AO5* AC5* gb_19
5482 O3P NP gb_27
5483 NP NO1P gb_23
5484 NP NO2P gb_23
5485 NP NO5* gb_27
5486 NO5* NC5* gb_19
5487 AC5* AC4* gb_25
5488 AC4* AO4* gb_19
5489 AC4* AC3* gb_25
5490 AO4* AC1* gb_19
5491 AC1* AN9 gb_21
5492 AC1* AC2* gb_25
5493 AN9 AC4 gb_9
5494 AN9 AC8 gb_9
5495 AC4 AN3 gb_11
5496 AC4 AC5 gb_15
5497 AN3 AC2 gb_6
5498 AC2 AN1 gb_6
5499 AN1 AC6 gb_11
5500 AC6 AN6 gb_8
5501 AC6 AC5 gb_15
5502 AN6 AH61 gb_2
5503 AN6 AH62 gb_2
5504 AC5 AN7 gb_9
5505 AN7 AC8 gb_9
5506 AC2* AO2* gb_19
5507 AC2* AC3* gb_25
5508 AO2* AP2* gb_27
5509 AP2* AO6* gb_23
5510 AP2* AO7* gb_23
5511 AP2* AO8* gb_27
5512 AO8* AH8* gb_1
5513 AC3* AO3* gb_19
5514 AO3* AH3* gb_1
5515 NC5* NC4* gb_25
5516 NC4* NO4* gb_19
5517 NC4* NC3* gb_25
5518 NO4* NC1* gb_19
5519 NC1* NN1 gb_22
5520 NC1* NC2* gb_25
5521 NN1 NC6 gb_16
5522 NN1 NC2 gb_16
5523 NC6 NC5 gb_15
5524 NC2 NC3 gb_15
5525 NC3 NC4 gb_15
5526 NC3 NC7 gb_26
5527 NC4 NC5 gb_15
5528 NC7 NO7 gb_4
5529 NC7 NN7 gb_8
5530 NN7 NH71 gb_2
5531 NN7 NH72 gb_2
5532 NC2* NO2* gb_19
5533 NC2* NC3* gb_25
5534 NO2* NH2* gb_1
5535 NC3* NO3* gb_19
5536 NO3* NH3* gb_1
5537 [ exclusions ]
5538 ; ai aj
5539 AC1* AN3
5540 AC1* AC5
5541 AC1* AN7
5542 AN9 AC2
5543 AN9 AC6
5544 AC4 AN1
5545 AC4 AN6
5546 AN3 AC6
5547 AN3 AN7
5548 AN3 AC8
5549 AC2 AN6
5550 AC2 AC5
5551 AN1 AN7
5552 AC6 AC8
5553 AN6 AN7
5554 AO2* AH8*
5555 AO6* AH8*
5556 AO7* AH8*
5557 NC1* NC3
5558 NC1* NC5
5559 NN1 NC4
5560 NN1 NC7
5561 NC6 NC3
5562 NC2 NC5
5563 NC5 NC7
5564 [ angles ]
5565 ; ai aj ak gromos type
5566 AO1P AP AO2P ga_28
5567 AO1P AP AO5* ga_13
5568 AO1P AP O3P ga_13
5569 AO2P AP AO5* ga_13
5570 AO2P AP O3P ga_13
5571 AO5* AP O3P ga_4
5572 AP AO5* AC5* ga_25
5573 AP O3P NP ga_25
5574 O3P NP NO1P ga_13
5575 O3P NP NO2P ga_13
5576 O3P NP NO5* ga_4
5577 NO1P NP NO2P ga_28
5578 NO1P NP NO5* ga_13
5579 NO2P NP NO5* ga_13
5580 NP NO5* NC5* ga_25
5581 AO5* AC5* AC4* ga_8
5582 AC5* AC4* AO4* ga_8
5583 AC5* AC4* AC3* ga_7
5584 AO4* AC4* AC3* ga_8
5585 AC4* AO4* AC1* ga_9
5586 AO4* AC1* AN9 ga_8
5587 AO4* AC1* AC2* ga_8
5588 AN9 AC1* AC2* ga_8
5589 AC1* AN9 AC4 ga_36
5590 AC1* AN9 AC8 ga_36
5591 AC4 AN9 AC8 ga_6
5592 AN9 AC4 AN3 ga_38
5593 AN9 AC4 AC5 ga_6
5594 AN3 AC4 AC5 ga_26
5595 AC4 AN3 AC2 ga_26
5596 AN3 AC2 AN1 ga_26
5597 AC2 AN1 AC6 ga_26
5598 AN1 AC6 AN6 ga_26
5599 AN1 AC6 AC5 ga_26
5600 AN6 AC6 AC5 ga_26
5601 AC6 AN6 AH61 ga_22
5602 AC6 AN6 AH62 ga_22
5603 AH61 AN6 AH62 ga_23
5604 AC4 AC5 AC6 ga_26
5605 AC4 AC5 AN7 ga_6
5606 AC6 AC5 AN7 ga_38
5607 AC5 AN7 AC8 ga_6
5608 AN9 AC8 AN7 ga_6
5609 AC1* AC2* AO2* ga_8
5610 AC1* AC2* AC3* ga_7
5611 AO2* AC2* AC3* ga_8
5612 AC2* AO2* AP2* ga_25
5613 AO2* AP2* AO6* ga_13
5614 AO2* AP2* AO7* ga_13
5615 AO2* AP2* AO8* ga_4
5616 AO6* AP2* AO7* ga_28
5617 AO6* AP2* AO8* ga_13
5618 AO7* AP2* AO8* ga_13
5619 AP2* AO8* AH8* ga_11
5620 AC4* AC3* AC2* ga_7
5621 AC4* AC3* AO3* ga_8
5622 AC2* AC3* AO3* ga_8
5623 AC3* AO3* AH3* ga_11
5624 NO5* NC5* NC4* ga_8
5625 NC5* NC4* NO4* ga_8
5626 NC5* NC4* NC3* ga_7
5627 NO4* NC4* NC3* ga_8
5628 NC4* NO4* NC1* ga_9
5629 NO4* NC1* NN1 ga_8
5630 NO4* NC1* NC2* ga_8
5631 NN1 NC1* NC2* ga_7
5632 NC1* NN1 NC6 ga_26
5633 NC1* NN1 NC2 ga_26
5634 NC6 NN1 NC2 ga_26
5635 NN1 NC6 NC5 ga_26
5636 NN1 NC2 NC3 ga_26
5637 NC2 NC3 NC4 ga_26
5638 NC2 NC3 NC7 ga_26
5639 NC4 NC3 NC7 ga_26
5640 NC3 NC4 NC5 ga_26
5641 NC6 NC5 NC4 ga_26
5642 NC3 NC7 NO7 ga_29
5643 NC3 NC7 NN7 ga_18
5644 NO7 NC7 NN7 ga_32
5645 NC7 NN7 NH71 ga_22
5646 NC7 NN7 NH72 ga_22
5647 NH71 NN7 NH72 ga_23
5648 NC1* NC2* NO2* ga_8
5649 NC1* NC2* NC3* ga_7
5650 NO2* NC2* NC3* ga_8
5651 NC2* NO2* NH2* ga_11
5652 NC4* NC3* NC2* ga_7
5653 NC4* NC3* NO3* ga_8
5654 NC2* NC3* NO3* ga_8
5655 NC3* NO3* NH3* ga_11
5656 [ impropers ]
5657 ; ai aj ak al gromos type
5658 AC4* AO4* AC5* AC3* gi_2
5659 AC3* AC2* AO3* AC4* gi_2
5660 AC2* AO2* AC3* AC1* gi_2
5661 AC1* AN9 AO4* AC2* gi_2
5662 AN9 AC8 AC4 AC1* gi_1
5663 AC4 AN9 AC8 AN7 gi_1
5664 AC8 AN9 AC4 AC5 gi_1
5665 AN9 AC8 AN7 AC5 gi_1
5666 AN9 AC4 AC5 AN7 gi_1
5667 AC8 AN7 AC5 AC4 gi_1
5668 AC4 AN9 AN3 AC5 gi_1
5669 AC5 AC6 AN7 AC4 gi_1
5670 AN3 AC4 AC5 AC6 gi_1
5671 AC4 AC5 AC6 AN1 gi_1
5672 AC5 AC4 AN3 AC2 gi_1
5673 AC5 AC6 AN1 AC2 gi_1
5674 AC4 AN3 AC2 AN1 gi_1
5675 AN3 AC2 AN1 AC6 gi_1
5676 AC6 AC5 AN1 AN6 gi_1
5677 AN6 AH61 AH62 AC6 gi_1
5678 NC4* NO4* NC5* NC3* gi_2
5679 NC3* NC2* NO3* NC4* gi_2
5680 NC2* NO2* NC3* NC1* gi_2
5681 NC1* NN1 NO4* NC2* gi_2
5682 NN1 NC6 NC2 NC1* gi_1
5683 NC2 NN1 NC6 NC5 gi_1
5684 NC6 NN1 NC2 NC3 gi_1
5685 NN1 NC6 NC5 NC4 gi_1
5686 NN1 NC2 NC3 NC4 gi_1
5687 NC6 NC5 NC4 NC3 gi_1
5688 NC2 NC3 NC4 NC5 gi_1
5689 NC3 NC4 NC2 NC7 gi_1
5690 NC7 NO7 NN7 NC3 gi_1
5691 NN7 NH71 NH72 NC7 gi_1
5692 [ dihedrals ]
5693 ; ai aj ak al gromos type
5694 AO5* AP O3P NP gd_11
5695 AO5* AP O3P NP gd_9
5696 O3P AP AO5* AC5* gd_11
5697 O3P AP AO5* AC5* gd_9
5698 AP AO5* AC5* AC4* gd_14
5699 AO5* AC5* AC4* AC3* gd_17
5700 AO5* AC5* AC4* AC3* gd_7
5701 AO5* AC5* AC4* AO4* gd_8
5702 AC5* AC4* AC3* AC2* gd_17
5703 AC5* AC4* AC3* AO3* gd_7
5704 AO4* AC4* AC3* AC2* gd_7
5705 AO4* AC4* AC3* AO3* gd_8
5706 AC4* AC3* AC2* AC1* gd_17
5707 AO3* AC3* AC2* AC1* gd_7
5708 AC4* AC3* AC2* AO2* gd_7
5709 AO3* AC3* AC2* AO2* gd_8
5710 AC3* AC2* AC1* AO4* gd_17
5711 AC3* AC2* AC1* AO4* gd_7
5712 AO2* AC2* AC1* AN9 gd_7
5713 AO2* AC2* AC1* AO4* gd_8
5714 AC3* AC4* AO4* AC1* gd_14
5715 AC4* AO4* AC1* AC2* gd_14
5716 AC1* AC2* AO2* AP2* gd_12
5717 AC2* AO2* AP2* AO8* gd_11
5718 AC2* AO2* AP2* AO8* gd_9
5719 AO2* AP2* AO8* AH8* gd_11
5720 AO2* AP2* AO8* AH8* gd_9
5721 AC4* AC3* AO3* AH3* gd_12
5722 AO4* AC1* AN9 AC4 gd_6
5723 AC5 AC6 AN6 AH61 gd_4
5724 AP O3P NP NO5* gd_11
5725 AP O3P NP NO5* gd_9
5726 O3P NP NO5* NC5* gd_11
5727 O3P NP NO5* NC5* gd_9
5728 NP NO5* NC5* NC4* gd_14
5729 NO5* NC5* NC4* NC3* gd_17
5730 NO5* NC5* NC4* NC3* gd_7
5731 NO5* NC5* NC4* NO4* gd_8
5732 NC5* NC4* NC3* NC2* gd_17
5733 NC5* NC4* NC3* NO3* gd_7
5734 NO4* NC4* NC3* NC2* gd_7
5735 NO4* NC4* NC3* NO3* gd_8
5736 NC4* NC3* NC2* NC1* gd_17
5737 NO3* NC3* NC2* NC1* gd_7
5738 NC4* NC3* NC2* NO2* gd_7
5739 NO3* NC3* NC2* NO2* gd_8
5740 NC3* NC2* NC1* NO4* gd_17
5741 NC3* NC2* NC1* NO4* gd_7
5742 NO2* NC2* NC1* NN1 gd_7
5743 NO2* NC2* NC1* NO4* gd_8
5744 NC3* NC4* NO4* NC1* gd_14
5745 NC4* NO4* NC1* NC2* gd_14
5746 NC1* NC2* NO2* NH2* gd_12
5747 NC4* NC3* NO3* NH3* gd_12
5748 NO4* NC1* NN1 NC2 gd_6
5749 NC2 NC3 NC7 NN7 gd_1
5750 NC3 NC7 NN7 NH71 gd_4
5752 [ NDPHN ]
5753 [ atoms ]
5754 AP P 1.02000 0
5755 AO1P OA -0.54800 0
5756 AH1P H 0.39800 0
5757 AO2P O -0.38000 0
5758 AO5* OA -0.36000 0
5759 O3P OA -0.26000 1
5760 NP P 1.02000 1
5761 NO1P OA -0.54800 1
5762 NH1P H 0.39800 1
5763 NO2P O -0.38000 1
5764 NO5* OA -0.36000 1
5765 AC5* CH2 0.00000 2
5766 AC4* CH1 0.16000 3
5767 AO4* OA -0.36000 3
5768 AC1* CH1 0.20000 3
5769 AN9 NR -0.20000 4
5770 AC4 C 0.20000 4
5771 AN3 NR -0.36000 5
5772 AC2 CR1 0.36000 5
5773 AN1 NR -0.36000 6
5774 AC6 C 0.36000 6
5775 AN6 NT -0.83000 7
5776 AH61 H 0.41500 7
5777 AH62 H 0.41500 7
5778 AC5 C 0.00000 8
5779 AN7 NR -0.36000 8
5780 AC8 CR1 0.36000 8
5781 AC2* CH1 0.15000 9
5782 AO2* OA -0.36000 9
5783 AP2* P 0.89000 9
5784 AO6* O -0.38000 9
5785 AO7* OA -0.54800 9
5786 AH7* H 0.39800 9
5787 AO8* OA -0.54800 9
5788 AH8* H 0.39800 9
5789 AC3* CH1 0.15000 10
5790 AO3* OA -0.54800 10
5791 AH3* H 0.39800 10
5792 NC5* CH2 0.00000 11
5793 NC4* CH1 0.16000 12
5794 NO4* OA -0.36000 12
5795 NC1* CH1 0.20000 12
5796 NN1 NR -0.20000 13
5797 NC6 CR1 0.20000 13
5798 NC2 CR1 0.00000 13
5799 NC3 C 0.00000 13
5800 NC4 CH2 0.00000 13
5801 NC5 CR1 0.00000 13
5802 NC7 C 0.38000 14
5803 NO7 O -0.38000 14
5804 NN7 NT -0.83000 15
5805 NH71 H 0.41500 15
5806 NH72 H 0.41500 15
5807 NC2* CH1 0.15000 16
5808 NO2* OA -0.54800 16
5809 NH2* H 0.39800 16
5810 NC3* CH1 0.15000 17
5811 NO3* OA -0.54800 17
5812 NH3* H 0.39800 17
5813 [ bonds ]
5814 AP AO1P gb_27
5815 AO1P AH1P gb_1
5816 AP AO2P gb_23
5817 AP AO5* gb_27
5818 AP O3P gb_27
5819 AO5* AC5* gb_19
5820 O3P NP gb_27
5821 NP NO1P gb_27
5822 NO1P NH1P gb_1
5823 NP NO2P gb_23
5824 NP NO5* gb_27
5825 NO5* NC5* gb_19
5826 AC5* AC4* gb_25
5827 AC4* AO4* gb_19
5828 AC4* AC3* gb_25
5829 AO4* AC1* gb_19
5830 AC1* AN9 gb_21
5831 AC1* AC2* gb_25
5832 AN9 AC4 gb_9
5833 AN9 AC8 gb_9
5834 AC4 AN3 gb_11
5835 AC4 AC5 gb_15
5836 AN3 AC2 gb_6
5837 AC2 AN1 gb_6
5838 AN1 AC6 gb_11
5839 AC6 AN6 gb_8
5840 AC6 AC5 gb_15
5841 AN6 AH61 gb_2
5842 AN6 AH62 gb_2
5843 AC5 AN7 gb_9
5844 AN7 AC8 gb_9
5845 AC2* AO2* gb_19
5846 AC2* AC3* gb_25
5847 AO2* AP2* gb_27
5848 AP2* AO6* gb_23
5849 AP2* AO7* gb_27
5850 AP2* AO8* gb_27
5851 AO7* AH7* gb_1
5852 AO8* AH8* gb_1
5853 AC3* AO3* gb_19
5854 AO3* AH3* gb_1
5855 NC5* NC4* gb_25
5856 NC4* NO4* gb_19
5857 NC4* NC3* gb_25
5858 NO4* NC1* gb_19
5859 NC1* NN1 gb_22
5860 NC1* NC2* gb_25
5861 NN1 NC6 gb_16
5862 NN1 NC2 gb_16
5863 NC6 NC5 gb_15
5864 NC2 NC3 gb_15
5865 NC3 NC4 gb_14
5866 NC3 NC7 gb_26
5867 NC4 NC5 gb_14
5868 NC7 NO7 gb_4
5869 NC7 NN7 gb_8
5870 NN7 NH71 gb_2
5871 NN7 NH72 gb_2
5872 NC2* NO2* gb_19
5873 NC2* NC3* gb_25
5874 NO2* NH2* gb_1
5875 NC3* NO3* gb_19
5876 NO3* NH3* gb_1
5877 [ exclusions ]
5878 ; ai aj
5879 AH1P AO2P
5880 AH1P AO5*
5881 AH1P O3P
5882 O3P NH1P
5883 NH1P NO2P
5884 NH1P NO5*
5885 AC1* AN3
5886 AC1* AC5
5887 AC1* AN7
5888 AN9 AC2
5889 AN9 AC6
5890 AC4 AN1
5891 AC4 AN6
5892 AN3 AC6
5893 AN3 AN7
5894 AN3 AC8
5895 AC2 AN6
5896 AC2 AC5
5897 AN1 AN7
5898 AC6 AC8
5899 AN6 AN7
5900 AO2* AH7*
5901 AO2* AH8*
5902 AO6* AH7*
5903 AO6* AH8*
5904 AO7* AH8*
5905 AH7* AO8*
5906 AH7* AH8*
5907 NC1* NC3
5908 NC1* NC5
5909 NN1 NC4
5910 NN1 NC7
5911 NC6 NC3
5912 NC2 NC5
5913 NC5 NC7
5914 [ angles ]
5915 ; ai aj ak gromos type
5916 AP AO1P AH1P ga_11
5917 AO1P AP AO2P ga_13
5918 AO1P AP AO5* ga_13
5919 AO1P AP O3P ga_13
5920 AO2P AP AO5* ga_13
5921 AO2P AP O3P ga_13
5922 AO5* AP O3P ga_13
5923 AP AO5* AC5* ga_25
5924 AP O3P NP ga_25
5925 O3P NP NO1P ga_13
5926 O3P NP NO2P ga_13
5927 O3P NP NO5* ga_13
5928 NO1P NP NO2P ga_13
5929 NO1P NP NO5* ga_13
5930 NO2P NP NO5* ga_13
5931 NP NO1P NH1P ga_11
5932 NP NO5* NC5* ga_25
5933 AO5* AC5* AC4* ga_8
5934 AC5* AC4* AO4* ga_8
5935 AC5* AC4* AC3* ga_7
5936 AO4* AC4* AC3* ga_8
5937 AC4* AO4* AC1* ga_9
5938 AO4* AC1* AN9 ga_8
5939 AO4* AC1* AC2* ga_8
5940 AN9 AC1* AC2* ga_8
5941 AC1* AN9 AC4 ga_36
5942 AC1* AN9 AC8 ga_36
5943 AC4 AN9 AC8 ga_6
5944 AN9 AC4 AN3 ga_38
5945 AN9 AC4 AC5 ga_6
5946 AC5 AC4 AN3 ga_26
5947 AC4 AN3 AC2 ga_26
5948 AN3 AC2 AN1 ga_26
5949 AC2 AN1 AC6 ga_26
5950 AN1 AC6 AN6 ga_26
5951 AN1 AC6 AC5 ga_26
5952 AN6 AC6 AC5 ga_26
5953 AC6 AN6 AH61 ga_22
5954 AC6 AN6 AH62 ga_22
5955 AH61 AN6 AH62 ga_23
5956 AC4 AC5 AC6 ga_26
5957 AC4 AC5 AN7 ga_6
5958 AC6 AC5 AN7 ga_38
5959 AC5 AN7 AC8 ga_6
5960 AN9 AC8 AN7 ga_6
5961 AC1* AC2* AO2* ga_8
5962 AC1* AC2* AC3* ga_7
5963 AO2* AC2* AC3* ga_8
5964 AC2* AO2* AP2* ga_25
5965 AO2* AP2* AO6* ga_13
5966 AO2* AP2* AO7* ga_13
5967 AO2* AP2* AO8* ga_13
5968 AO6* AP2* AO7* ga_13
5969 AO6* AP2* AO8* ga_13
5970 AO7* AP2* AO8* ga_13
5971 AP2* AO7* AH7* ga_11
5972 AP2* AO8* AH8* ga_11
5973 AC4* AC3* AC2* ga_7
5974 AC4* AC3* AO3* ga_8
5975 AC2* AC3* AO3* ga_8
5976 AC3* AO3* AH3* ga_11
5977 NO5* NC5* NC4* ga_8
5978 NC5* NC4* NO4* ga_8
5979 NC5* NC4* NC3* ga_7
5980 NO4* NC4* NC3* ga_8
5981 NC4* NO4* NC1* ga_9
5982 NO4* NC1* NN1 ga_8
5983 NO4* NC1* NC2* ga_8
5984 NN1 NC1* NC2* ga_7
5985 NC1* NN1 NC6 ga_26
5986 NC1* NN1 NC2 ga_26
5987 NC6 NN1 NC2 ga_26
5988 NN1 NC6 NC5 ga_26
5989 NN1 NC2 NC3 ga_26
5990 NC2 NC3 NC4 ga_26
5991 NC2 NC3 NC7 ga_26
5992 NC4 NC3 NC7 ga_26
5993 NC3 NC4 NC5 ga_26
5994 NC6 NC5 NC4 ga_26
5995 NC3 NC7 NO7 ga_29
5996 NC3 NC7 NN7 ga_18
5997 NO7 NC7 NN7 ga_32
5998 NC7 NN7 NH71 ga_22
5999 NC7 NN7 NH72 ga_22
6000 NH71 NN7 NH72 ga_23
6001 NC1* NC2* NO2* ga_8
6002 NC1* NC2* NC3* ga_7
6003 NO2* NC2* NC3* ga_8
6004 NC2* NO2* NH2* ga_11
6005 NC4* NC3* NC2* ga_7
6006 NC4* NC3* NO3* ga_8
6007 NC2* NC3* NO3* ga_8
6008 NC3* NO3* NH3* ga_11
6009 [ impropers ]
6010 ; ai aj ak al gromos type
6011 AC4* AO4* AC5* AC3* gi_2
6012 AC3* AC2* AO3* AC4* gi_2
6013 AC2* AO2* AC3* AC1* gi_2
6014 AC1* AN9 AO4* AC2* gi_2
6015 AN9 AC8 AC4 AC1* gi_1
6016 AC4 AN9 AC8 AN7 gi_1
6017 AC8 AN9 AC4 AC5 gi_1
6018 AN9 AC8 AN7 AC5 gi_1
6019 AN9 AC4 AC5 AN7 gi_1
6020 AC8 AN7 AC5 AC4 gi_1
6021 AC4 AN9 AN3 AC5 gi_1
6022 AC5 AC6 AN7 AC4 gi_1
6023 AN3 AC4 AC5 AC6 gi_1
6024 AC4 AC5 AC6 AN1 gi_1
6025 AC5 AC4 AN3 AC2 gi_1
6026 AC5 AC6 AN1 AC2 gi_1
6027 AC4 AN3 AC2 AN1 gi_1
6028 AN3 AC2 AN1 AC6 gi_1
6029 AC6 AC5 AN1 AN6 gi_1
6030 AN6 AH61 AH62 AC6 gi_1
6031 NC4* NO4* NC5* NC3* gi_2
6032 NC3* NC2* NO3* NC4* gi_2
6033 NC2* NO2* NC3* NC1* gi_2
6034 NC1* NN1 NO4* NC2* gi_2
6035 NN1 NC6 NC2 NC1* gi_1
6036 NC2 NN1 NC6 NC5 gi_1
6037 NC6 NN1 NC2 NC3 gi_1
6038 NN1 NC6 NC5 NC4 gi_1
6039 NN1 NC2 NC3 NC4 gi_1
6040 NC6 NC5 NC4 NC3 gi_1
6041 NC2 NC3 NC4 NC5 gi_1
6042 NC3 NC4 NC2 NC7 gi_1
6043 NC7 NO7 NN7 NC3 gi_1
6044 NN7 NH71 NH72 NC7 gi_1
6045 [ dihedrals ]
6046 ; ai aj ak al gromos type
6047 AO5* AP AO1P AH1P gd_11
6048 AO5* AP AO1P AH1P gd_9
6049 AO5* AP O3P NP gd_11
6050 AO5* AP O3P NP gd_9
6051 O3P AP AO5* AC5* gd_11
6052 O3P AP AO5* AC5* gd_9
6053 AP AO5* AC5* AC4* gd_14
6054 AO5* AC5* AC4* AC3* gd_17
6055 AO5* AC5* AC4* AC3* gd_7
6056 AO5* AC5* AC4* AO4* gd_8
6057 AC5* AC4* AC3* AC2* gd_17
6058 AC5* AC4* AC3* AO3* gd_7
6059 AO4* AC4* AC3* AC2* gd_7
6060 AO4* AC4* AC3* AO3* gd_8
6061 AC4* AC3* AC2* AC1* gd_17
6062 AO3* AC3* AC2* AC1* gd_7
6063 AC4* AC3* AC2* AO2* gd_7
6064 AO3* AC3* AC2* AO2* gd_8
6065 AC3* AC2* AC1* AO4* gd_17
6066 AC3* AC2* AC1* AO4* gd_7
6067 AO2* AC2* AC1* AN9 gd_7
6068 AO2* AC2* AC1* AO4* gd_8
6069 AC3* AC4* AO4* AC1* gd_14
6070 AC4* AO4* AC1* AC2* gd_14
6071 AC1* AC2* AO2* AP2* gd_12
6072 AC2* AO2* AP2* AO8* gd_11
6073 AC2* AO2* AP2* AO8* gd_9
6074 AO2* AP2* AO8* AH8* gd_11
6075 AO2* AP2* AO8* AH8* gd_9
6076 AO2* AP2* AO7* AH7* gd_11
6077 AO2* AP2* AO7* AH7* gd_9
6078 AC4* AC3* AO3* AH3* gd_12
6079 AO4* AC1* AN9 AC4 gd_6
6080 AC5 AC6 AN6 AH61 gd_4
6081 AP O3P NP NO5* gd_11
6082 AP O3P NP NO5* gd_9
6083 O3P NP NO5* NC5* gd_11
6084 O3P NP NO5* NC5* gd_9
6085 NO5* NP NO1P NH1P gd_11
6086 NO5* NP NO1P NH1P gd_9
6087 NP NO5* NC5* NC4* gd_14
6088 NO5* NC5* NC4* NC3* gd_17
6089 NO5* NC5* NC4* NC3* gd_7
6090 NO5* NC5* NC4* NO4* gd_8
6091 NC5* NC4* NC3* NC2* gd_17
6092 NC5* NC4* NC3* NO3* gd_7
6093 NO4* NC4* NC3* NC2* gd_7
6094 NO4* NC4* NC3* NO3* gd_8
6095 NC4* NC3* NC2* NC1* gd_17
6096 NO3* NC3* NC2* NC1* gd_7
6097 NC4* NC3* NC2* NO2* gd_7
6098 NO3* NC3* NC2* NO2* gd_8
6099 NC3* NC2* NC1* NO4* gd_17
6100 NC3* NC2* NC1* NO4* gd_7
6101 NO2* NC2* NC1* NN1 gd_7
6102 NO2* NC2* NC1* NO4* gd_8
6103 NC3* NC4* NO4* NC1* gd_14
6104 NC4* NO4* NC1* NC2* gd_14
6105 NC1* NC2* NO2* NH2* gd_12
6106 NC4* NC3* NO3* NH3* gd_12
6107 NO4* NC1* NN1 NC2 gd_6
6108 NC2 NC3 NC7 NN7 gd_1
6109 NC3 NC7 NN7 NH71 gd_4
6111 [ GLCA ]
6112 [ atoms ]
6113 C1 CH1 0.40000 0
6114 O5 OA -0.36000 0
6115 C5 CH1 0.16000 0
6116 C6 CH2 0.15000 1
6117 O6 OA -0.54800 1
6118 H6 H 0.39800 1
6119 C2 CH1 0.15000 2
6120 O2 OA -0.54800 2
6121 H2 H 0.39800 2
6122 C3 CH1 0.15000 3
6123 O3 OA -0.54800 3
6124 H3 H 0.39800 3
6125 C4 CH1 0.160 4
6126 O4 OA -0.360 4
6127 [ bonds ]
6128 C1 O5 gb_19
6129 C1 C2 gb_25
6130 O5 C5 gb_19
6131 C5 C6 gb_25
6132 C5 C4 gb_25
6133 C6 O6 gb_19
6134 O6 H6 gb_1
6135 C2 O2 gb_19
6136 C2 C3 gb_25
6137 O2 H2 gb_1
6138 C3 O3 gb_19
6139 C3 C4 gb_25
6140 O3 H3 gb_1
6141 C4 O4 gb_19
6142 O4 +N gb_19
6143 [ angles ]
6144 ; ai aj ak gromos type
6145 -O C1 O5 ga_8
6146 -O C1 C2 ga_8
6147 O5 C1 C2 ga_8
6148 C1 O5 C5 ga_9
6149 O5 C5 C6 ga_8
6150 O5 C5 C4 ga_8
6151 C6 C5 C4 ga_7
6152 C5 C6 O6 ga_8
6153 C6 O6 H6 ga_11
6154 C1 C2 O2 ga_8
6155 C1 C2 C3 ga_7
6156 O2 C2 C3 ga_8
6157 C2 O2 H2 ga_11
6158 C2 C3 O3 ga_8
6159 C2 C3 C4 ga_7
6160 O3 C3 C4 ga_8
6161 C3 O3 H3 ga_11
6162 C5 C4 C3 ga_7
6163 C5 C4 O4 ga_8
6164 C3 C4 O4 ga_8
6165 C4 O4 +N ga_9
6166 [ impropers ]
6167 ; ai aj ak al gromos type
6168 C1 O5 -O C2 gi_2
6169 C5 O5 C6 C4 gi_2
6170 C2 O2 C3 C1 gi_2
6171 C3 O3 C2 C4 gi_2
6172 C4 C3 O4 C5 gi_2
6173 [ dihedrals ]
6174 ; ai aj ak al gromos type
6175 -C -O C1 C2 gd_14
6176 -O C1 C2 C3 gd_17
6177 -O C1 C2 C3 gd_7
6178 O5 C1 C2 C3 gd_7
6179 O5 C1 C2 O2 gd_8
6180 -O C1 C2 O2 gd_8
6181 C1 C2 O2 H2 gd_12
6182 C1 C2 C3 C4 gd_17
6183 C1 C2 C3 O3 gd_7
6184 O2 C2 C3 C4 gd_7
6185 O2 C2 C3 O3 gd_8
6186 C2 C3 O3 H3 gd_12
6187 C2 C3 C4 C5 gd_17
6188 C2 C3 C4 O4 gd_7
6189 O3 C3 C4 C5 gd_7
6190 O3 C3 C4 O4 gd_8
6191 C2 C1 O5 C5 gd_14
6192 C1 O5 C5 C4 gd_14
6193 C4 C5 C6 O6 gd_17
6194 C4 C5 C6 O6 gd_7
6195 O5 C5 C6 O6 gd_8
6196 C5 C6 O6 H6 gd_12
6197 C6 C5 C4 C3 gd_17
6198 O5 C5 C4 C3 gd_7
6199 C6 C5 C4 O4 gd_7
6200 O5 C5 C4 O4 gd_8
6201 C3 C4 O4 +N gd_14
6203 [ GLCB ]
6204 [ atoms ]
6205 C1 CH1 0.40000 0
6206 O5 OA -0.36000 0
6207 C5 CH1 0.16000 0
6208 C6 CH2 0.15000 1
6209 O6 OA -0.54800 1
6210 H6 H 0.39800 1
6211 C3 CH1 0.15000 2
6212 O3 OA -0.54800 2
6213 H3 H 0.39800 2
6214 C4 CH1 0.15000 3
6215 O4 OA -0.54800 3
6216 H4 H 0.39800 3
6217 C2 CH1 0.160 4
6218 O2 OA -0.360 4
6219 [ bonds ]
6220 C1 O5 gb_19
6221 C1 C2 gb_25
6222 O5 C5 gb_19
6223 C5 C6 gb_25
6224 C5 C4 gb_25
6225 C6 O6 gb_19
6226 O6 H6 gb_1
6227 C3 O3 gb_19
6228 C3 C4 gb_25
6229 C3 C2 gb_25
6230 O3 H3 gb_1
6231 C4 O4 gb_19
6232 O4 H4 gb_1
6233 C2 O2 gb_19
6234 O2 +N gb_19
6235 [ angles ]
6236 ; ai aj ak gromos type
6237 -O C1 O5 ga_8
6238 -O C1 C2 ga_8
6239 O5 C1 C2 ga_8
6240 C1 O5 C5 ga_9
6241 O5 C5 C6 ga_8
6242 O5 C5 C4 ga_8
6243 C6 C5 C4 ga_7
6244 C5 C6 O6 ga_8
6245 C6 O6 H6 ga_11
6246 C4 C3 O3 ga_8
6247 C4 C3 C2 ga_7
6248 O3 C3 C2 ga_8
6249 C3 O3 H3 ga_11
6250 C5 C4 O4 ga_8
6251 C5 C4 C3 ga_7
6252 C3 C4 O4 ga_8
6253 C4 O4 H4 ga_11
6254 C1 C2 C3 ga_7
6255 C1 C2 O2 ga_8
6256 C3 C2 O2 ga_8
6257 C2 O2 +N ga_9
6258 [ impropers ]
6259 ; ai aj ak al gromos type
6260 C1 -O O5 C2 gi_2
6261 C5 O5 C6 C4 gi_2
6262 C3 O3 C2 C4 gi_2
6263 C4 C3 O4 C5 gi_2
6264 C2 O2 C3 C1 gi_2
6265 [ dihedrals ]
6266 ; ai aj ak al gromos type
6267 -C -O C1 C2 gd_14
6268 -O C1 C2 C3 gd_17
6269 -O C1 C2 C3 gd_7
6270 O5 C1 C2 C3 gd_7
6271 O5 C1 C2 O2 gd_8
6272 -O C1 C2 O2 gd_8
6273 C1 C2 C3 C4 gd_17
6274 C1 C2 C3 O3 gd_7
6275 O2 C2 C3 C4 gd_7
6276 O2 C2 C3 O3 gd_8
6277 C2 C3 O3 H3 gd_12
6278 C2 C3 C4 C5 gd_17
6279 C2 C3 C4 O4 gd_7
6280 O3 C3 C4 C5 gd_7
6281 O3 C3 C4 O4 gd_8
6282 C3 C4 O4 H4 gd_12
6283 C2 C1 O5 C5 gd_14
6284 C1 O5 C5 C4 gd_14
6285 C4 C5 C6 O6 gd_17
6286 C4 C5 C6 O6 gd_7
6287 O5 C5 C6 O6 gd_8
6288 C5 C6 O6 H6 gd_12
6289 C6 C5 C4 C3 gd_17
6290 O5 C5 C4 C3 gd_7
6291 C6 C5 C4 O4 gd_7
6292 O5 C5 C4 O4 gd_8
6293 C1 C2 O2 +N gd_14
6295 [ GALB ]
6296 [ atoms ]
6297 C1 CH1 0.40000 0
6298 O5 OA -0.36000 0
6299 C5 CH1 0.16000 0
6300 C6 CH2 0.15000 1
6301 O6 OA -0.54800 1
6302 H6 H 0.39800 1
6303 C2 CH1 0.15000 2
6304 O2 OA -0.54800 2
6305 H2 H 0.39800 2
6306 C4 CH1 0.15000 3
6307 O4 OA -0.54800 3
6308 H4 H 0.39800 3
6309 C3 CH1 0.160 4
6310 O3 OA -0.360 4
6311 [ bonds ]
6312 C1 O5 gb_19
6313 C1 C2 gb_25
6314 O5 C5 gb_19
6315 C5 C6 gb_25
6316 C5 C4 gb_25
6317 C6 O6 gb_19
6318 O6 H6 gb_1
6319 C2 O2 gb_19
6320 C2 C3 gb_25
6321 O2 H2 gb_1
6322 C4 O4 gb_19
6323 C4 C3 gb_25
6324 O4 H4 gb_1
6325 C3 O3 gb_19
6326 O3 +N gb_19
6327 [ angles ]
6328 ; ai aj ak gromos type
6329 -O C1 O5 ga_8
6330 -O C1 C2 ga_8
6331 O5 C1 C2 ga_8
6332 C1 O5 C5 ga_9
6333 O5 C5 C6 ga_8
6334 O5 C5 C4 ga_8
6335 C6 C5 C4 ga_7
6336 C5 C6 O6 ga_8
6337 C6 O6 H6 ga_11
6338 C1 C2 O2 ga_8
6339 C1 C2 C3 ga_7
6340 O2 C2 C3 ga_8
6341 C2 O2 H2 ga_11
6342 C5 C4 O4 ga_8
6343 C5 C4 C3 ga_7
6344 O4 C4 C3 ga_8
6345 C4 O4 H4 ga_11
6346 C2 C3 C4 ga_7
6347 C2 C3 O3 ga_8
6348 C4 C3 O3 ga_8
6349 C3 O3 +N ga_9
6350 [ impropers ]
6351 ; ai aj ak al gromos type
6352 C1 -O O5 C2 gi_2
6353 C5 O5 C6 C4 gi_2
6354 C2 O2 C3 C1 gi_2
6355 C4 O4 C3 C5 gi_2
6356 C3 O3 C2 C4 gi_2
6357 [ dihedrals ]
6358 ; ai aj ak al gromos type
6359 -C -O C1 C2 gd_14
6360 -O C1 C2 C3 gd_17
6361 -O C1 C2 C3 gd_7
6362 O5 C1 C2 C3 gd_7
6363 O5 C1 C2 O2 gd_8
6364 -O C1 C2 O2 gd_8
6365 C1 C2 O2 H2 gd_12
6366 C1 C2 C3 C4 gd_17
6367 C1 C2 C3 O3 gd_7
6368 O2 C2 C3 C4 gd_7
6369 O2 C2 C3 O3 gd_8
6370 C2 C3 C4 C5 gd_17
6371 C2 C3 C4 O4 gd_7
6372 O3 C3 C4 C5 gd_7
6373 O3 C3 C4 O4 gd_8
6374 C3 C4 O4 H4 gd_12
6375 C2 C1 O5 C5 gd_14
6376 C1 O5 C5 C4 gd_14
6377 C4 C5 C6 O6 gd_17
6378 C4 C5 C6 O6 gd_7
6379 O5 C5 C6 O6 gd_8
6380 C5 C6 O6 H6 gd_12
6381 C6 C5 C4 C3 gd_17
6382 O5 C5 C4 C3 gd_7
6383 C6 C5 C4 O4 gd_7
6384 O5 C5 C4 O4 gd_8
6385 C2 C3 O3 +N gd_14
6387 [ HEME ]
6388 [ atoms ]
6389 FE FE 0.40000 0
6390 NA NR -0.10000 0
6391 NB NR -0.10000 0
6392 NC NR -0.10000 0
6393 ND NR -0.10000 0
6394 CHA C -0.10000 1
6395 HHA HC 0.10000 1
6396 C1A C 0.00000 2
6397 C2A C 0.00000 2
6398 C3A C 0.00000 2
6399 C4A C 0.00000 2
6400 CMA CH3 0.00000 3
6401 CAA CH2 0.00000 4
6402 CBA CH2 0.00000 4
6403 CGA C 0.27000 5
6404 O1A OM -0.63500 5
6405 O2A OM -0.63500 5
6406 CHB C -0.10000 6
6407 HHB HC 0.10000 6
6408 C1B C 0.00000 7
6409 C2B C 0.00000 7
6410 C3B C 0.00000 7
6411 C4B C 0.00000 7
6412 CMB CH3 0.00000 8
6413 CAB CR1 0.00000 9
6414 CBB CH2 0.00000 9
6415 CHC C -0.10000 10
6416 HHC HC 0.10000 10
6417 C1C C 0.00000 11
6418 C2C C 0.00000 11
6419 C3C C 0.00000 11
6420 C4C C 0.00000 11
6421 CMC CH3 0.00000 12
6422 CAC CR1 0.00000 13
6423 CBC CH2 0.00000 13
6424 CHD C -0.10000 14
6425 HHD HC 0.10000 14
6426 C1D C 0.00000 15
6427 C2D C 0.00000 15
6428 C3D C 0.00000 15
6429 C4D C 0.00000 15
6430 CMD CH3 0.00000 16
6431 CAD CH2 0.00000 17
6432 CBD CH2 0.00000 17
6433 CGD C 0.27000 18
6434 O1D OM -0.63500 18
6435 O2D OM -0.63500 18
6436 [ bonds ]
6437 FE NA gb_34
6438 FE NB gb_34
6439 FE NC gb_34
6440 FE ND gb_34
6441 NA C1A gb_13
6442 NA C4A gb_13
6443 NB C1B gb_13
6444 NB C4B gb_13
6445 NC C1C gb_13
6446 NC C4C gb_13
6447 ND C1D gb_13
6448 ND C4D gb_13
6449 CHA HHA gb_3
6450 CHA C1A gb_16
6451 CHA C4D gb_16
6452 C1A C2A gb_16
6453 C2A C3A gb_16
6454 C2A CAA gb_26
6455 C3A C4A gb_16
6456 C3A CMA gb_26
6457 C4A CHB gb_16
6458 CAA CBA gb_26
6459 CBA CGA gb_26
6460 CGA O1A gb_5
6461 CGA O2A gb_5
6462 CHB HHB gb_3
6463 CHB C1B gb_16
6464 C1B C2B gb_16
6465 C2B C3B gb_16
6466 C2B CMB gb_26
6467 C3B C4B gb_16
6468 C3B CAB gb_26
6469 C4B CHC gb_16
6470 CAB CBB gb_11
6471 CHC HHC gb_3
6472 CHC C1C gb_16
6473 C1C C2C gb_16
6474 C2C C3C gb_16
6475 C2C CMC gb_26
6476 C3C C4C gb_16
6477 C3C CAC gb_26
6478 C4C CHD gb_16
6479 CAC CBC gb_11
6480 CHD HHD gb_3
6481 CHD C1D gb_16
6482 C1D C2D gb_16
6483 C2D C3D gb_16
6484 C2D CMD gb_26
6485 C3D C4D gb_16
6486 C3D CAD gb_26
6487 CAD CBD gb_26
6488 CBD CGD gb_26
6489 CGD O1D gb_5
6490 CGD O2D gb_5
6491 [ exclusions ]
6492 ; ai aj
6493 FE CHA
6494 FE C2A
6495 FE C3A
6496 FE CHB
6497 FE C2B
6498 FE C3B
6499 FE CHC
6500 FE C2C
6501 FE C3C
6502 FE CHD
6503 FE C2D
6504 FE C3D
6505 NA HHA
6506 NA CMA
6507 NA CAA
6508 NA HHB
6509 NA C1B
6510 NA C4B
6511 NA C1C
6512 NA C4C
6513 NA C1D
6514 NA C4D
6515 NB C1A
6516 NB C4A
6517 NB HHB
6518 NB CMB
6519 NB CAB
6520 NB HHC
6521 NB C1C
6522 NB C4C
6523 NB C1D
6524 NB C4D
6525 NC C1A
6526 NC C4A
6527 NC C1B
6528 NC C4B
6529 NC HHC
6530 NC CMC
6531 NC CAC
6532 NC HHD
6533 NC C1D
6534 NC C4D
6535 ND HHA
6536 ND C1A
6537 ND C4A
6538 ND C1B
6539 ND C4B
6540 ND C1C
6541 ND C4C
6542 ND HHD
6543 ND CMD
6544 ND CAD
6545 CHA C3A
6546 CHA C4A
6547 CHA CAA
6548 CHA C1D
6549 CHA C2D
6550 CHA CAD
6551 HHA C2A
6552 HHA C3D
6553 C1A CMA
6554 C1A CHB
6555 C1A C3D
6556 C2A CHB
6557 C3A HHB
6558 C3A C1B
6559 C4A CAA
6560 C4A C2B
6561 CMA CAA
6562 CMA CHB
6563 CHB C3B
6564 CHB C4B
6565 CHB CMB
6566 HHB C2B
6567 C1B CAB
6568 C1B CHC
6569 C2B CHC
6570 C3B HHC
6571 C3B C1C
6572 C4B CMB
6573 C4B C2C
6574 CMB CAB
6575 CAB CHC
6576 CHC C3C
6577 CHC C4C
6578 CHC CMC
6579 HHC C2C
6580 C1C CAC
6581 C1C CHD
6582 C2C CHD
6583 C3C HHD
6584 C3C C1D
6585 C4C CMC
6586 C4C C2D
6587 CMC CAC
6588 CAC CHD
6589 CHD C3D
6590 CHD C4D
6591 CHD CMD
6592 HHD C2D
6593 C1D CAD
6594 C4D CMD
6595 CMD CAD
6596 [ angles ]
6597 ; ai aj ak gromos type
6598 NA FE NB ga_1
6599 NB FE NC ga_1
6600 NC FE ND ga_1
6601 NA FE ND ga_1
6602 FE NA C1A ga_35
6603 FE NA C4A ga_35
6604 C1A NA C4A ga_5
6605 FE NB C1B ga_35
6606 FE NB C4B ga_35
6607 C1B NB C4B ga_5
6608 FE NC C1C ga_35
6609 FE NC C4C ga_35
6610 C1C NC C4C ga_5
6611 FE ND C1D ga_35
6612 FE ND C4D ga_35
6613 C1D ND C4D ga_5
6614 C1A CHA HHA ga_19
6615 C1A CHA C4D ga_36
6616 HHA CHA C4D ga_19
6617 NA C1A CHA ga_32
6618 NA C1A C2A ga_14
6619 CHA C1A C2A ga_37
6620 C1A C2A C3A ga_6
6621 C1A C2A CAA ga_36
6622 C3A C2A CAA ga_36
6623 C2A C3A C4A ga_6
6624 C2A C3A CMA ga_36
6625 C4A C3A CMA ga_36
6626 NA C4A C3A ga_14
6627 NA C4A CHB ga_32
6628 C3A C4A CHB ga_37
6629 C2A CAA CBA ga_14
6630 CAA CBA CGA ga_14
6631 CBA CGA O1A ga_21
6632 CBA CGA O2A ga_21
6633 O1A CGA O2A ga_37
6634 C4A CHB HHB ga_19
6635 C4A CHB C1B ga_36
6636 HHB CHB C1B ga_19
6637 NB C1B CHB ga_32
6638 NB C1B C2B ga_14
6639 CHB C1B C2B ga_37
6640 C1B C2B C3B ga_6
6641 C1B C2B CMB ga_36
6642 C3B C2B CMB ga_36
6643 C2B C3B C4B ga_6
6644 C2B C3B CAB ga_36
6645 C4B C3B CAB ga_36
6646 NB C4B C3B ga_14
6647 NB C4B CHC ga_32
6648 C3B C4B CHC ga_37
6649 C3B CAB CBB ga_36
6650 C4B CHC HHC ga_19
6651 C4B CHC C1C ga_36
6652 HHC CHC C1C ga_19
6653 NC C1C CHC ga_32
6654 NC C1C C2C ga_14
6655 CHC C1C C2C ga_37
6656 C1C C2C C3C ga_6
6657 C1C C2C CMC ga_36
6658 C3C C2C CMC ga_36
6659 C2C C3C C4C ga_6
6660 C2C C3C CAC ga_36
6661 C4C C3C CAC ga_36
6662 NC C4C C3C ga_14
6663 NC C4C CHD ga_32
6664 C3C C4C CHD ga_37
6665 C3C CAC CBC ga_36
6666 C4C CHD HHD ga_19
6667 C4C CHD C1D ga_36
6668 HHD CHD C1D ga_19
6669 ND C1D CHD ga_32
6670 ND C1D C2D ga_14
6671 CHD C1D C2D ga_37
6672 C1D C2D C3D ga_6
6673 C1D C2D CMD ga_36
6674 C3D C2D CMD ga_36
6675 C2D C3D C4D ga_6
6676 C2D C3D CAD ga_36
6677 C4D C3D CAD ga_36
6678 ND C4D CHA ga_32
6679 ND C4D C3D ga_14
6680 CHA C4D C3D ga_37
6681 C3D CAD CBD ga_14
6682 CAD CBD CGD ga_14
6683 CBD CGD O1D ga_21
6684 CBD CGD O2D ga_21
6685 O1D CGD O2D ga_37
6686 [ impropers ]
6687 ; ai aj ak al gromos type
6688 FE C1A C4A NA gi_3
6689 FE C1B C4B NB gi_3
6690 FE C1C C4C NC gi_3
6691 FE C1D C4D ND gi_3
6692 CHA NA C2A C1A gi_1
6693 CHB NA C3A C4A gi_1
6694 CHB NB C2B C1B gi_1
6695 CHC NB C3B C4B gi_1
6696 CHC NC C2C C1C gi_1
6697 CHD NC C3C C4C gi_1
6698 CHD ND C2D C1D gi_1
6699 CHA ND C3D C4D gi_1
6700 C2A C1A C3A CAA gi_1
6701 C3A C2A C4A CMA gi_1
6702 C2B C1B C3B CMB gi_1
6703 C3B C2B C4B CAB gi_1
6704 C2C C1C C3C CMC gi_1
6705 C3C C2C C4C CAC gi_1
6706 C2D C1D C3D CMD gi_1
6707 C3D C2D C4D CAD gi_1
6708 CBA O1A O2A CGA gi_1
6709 CBD O1D O2D CGD gi_1
6710 CHA C4D C1A HHA gi_1
6711 CHB C4A C1B HHB gi_1
6712 CHC C4B C1C HHC gi_1
6713 CHD C4C C1D HHD gi_1
6714 NA C1A C2A C3A gi_1
6715 C1A C2A C3A C4A gi_1
6716 C2A C3A C4A NA gi_1
6717 C1A NA C4A C3A gi_1
6718 C2A C1A NA C4A gi_1
6719 NB C1B C2B C3B gi_1
6720 C1B C2B C3B C4B gi_1
6721 NB C4B C3B C2B gi_1
6722 C4B NB C1B C2B gi_1
6723 C1B NB C4B C3B gi_1
6724 NC C1C C2C C3C gi_1
6725 C1C C2C C3C C4C gi_1
6726 NC C4C C3C C2C gi_1
6727 C4C NC C1C C2C gi_1
6728 C1C NC C4C C3C gi_1
6729 ND C1D C2D C3D gi_1
6730 C1D C2D C3D C4D gi_1
6731 ND C4D C3D C2D gi_1
6732 C4D ND C1D C2D gi_1
6733 C1D ND C4D C3D gi_1
6734 [ dihedrals ]
6735 ; ai aj ak al gromos type
6736 NA C4A CHB C1B gd_5
6737 C4A CHB C1B NB gd_5
6738 NB C4B CHC C1C gd_5
6739 C4B CHC C1C NC gd_5
6740 NC C4C CHD C1D gd_5
6741 C4C CHD C1D ND gd_5
6742 ND C4D CHA C1A gd_5
6743 C4D CHA C1A NA gd_5
6744 C1A C2A CAA CBA gd_20
6745 C2A CAA CBA CGA gd_17
6746 CAA CBA CGA O1A gd_20
6747 C2B C3B CAB CBB gd_3
6748 C2C C3C CAC CBC gd_3
6749 C2D C3D CAD CBD gd_20
6750 C3D CAD CBD CGD gd_17
6751 CAD CBD CGD O1D gd_20
6752 ND FE NA C1A 0 0 4
6753 NA FE NB C1B 0 0 4
6754 NB FE NC C1C 0 0 4
6755 NC FE ND C1D 0 0 4
6756 [ CYT* ]
6757 [ atoms ]
6758 C4* CH1 0.16000 0
6759 O4* OA -0.36000 0
6760 C1* CH1 0.20000 0
6761 N1 NR -0.20000 1
6762 C6 CR1 0.20000 1
6763 C2 C 0.38000 2
6764 O2 O -0.38000 2
6765 N3 NR -0.36000 3
6766 C4 C 0.36000 3
6767 N4 NT -0.83000 4
6768 H41 H 0.41500 4
6769 H42 H 0.41500 4
6770 C5 CR1 0.00000 5
6771 C2* CH1 0.15000 6
6772 O2* OA -0.54800 6
6773 H2* H 0.39800 6
6774 C3* CH1 0.00000 7
6775 O3* OA -0.36000 8
6776 SI1 P 0.54000 8
6777 OSI OA -0.36000 8
6778 SI2 P 0.54000 8
6779 O5* OA -0.36000 8
6780 C5* CH2 0.00000 9
6781 C11 CH1 0.00000 10
6782 C111 CH3 0.00000 10
6783 C112 CH3 0.00000 10
6784 C12 CH1 0.00000 11
6785 C121 CH3 0.00000 11
6786 C122 CH3 0.00000 11
6787 C21 CH1 0.00000 12
6788 C211 CH3 0.00000 12
6789 C212 CH3 0.00000 12
6790 C22 CH1 0.00000 13
6791 C221 CH3 0.00000 13
6792 C222 CH3 0.00000 13
6793 [ bonds ]
6794 C4* O4* gb_19
6795 C4* C3* gb_25
6796 C4* C5* gb_25
6797 O4* C1* gb_19
6798 C1* N1 gb_22
6799 C1* C2* gb_25
6800 N1 C6 gb_16
6801 N1 C2 gb_16
6802 C6 C5 gb_15
6803 C2 O2 gb_4
6804 C2 N3 gb_11
6805 N3 C4 gb_11
6806 C4 N4 gb_8
6807 C4 C5 gb_15
6808 N4 H41 gb_2
6809 N4 H42 gb_2
6810 C2* O2* gb_19
6811 C2* C3* gb_25
6812 O2* H2* gb_1
6813 C3* O3* gb_19
6814 O3* SI1 gb_28
6815 SI1 OSI gb_28
6816 SI1 C11 gb_31
6817 SI1 C12 gb_31
6818 OSI SI2 gb_28
6819 SI2 O5* gb_28
6820 SI2 C21 gb_31
6821 SI2 C22 gb_31
6822 O5* C5* gb_19
6823 C11 C111 gb_26
6824 C11 C112 gb_26
6825 C12 C121 gb_26
6826 C12 C122 gb_26
6827 C21 C211 gb_26
6828 C21 C212 gb_26
6829 C22 C221 gb_26
6830 C22 C222 gb_26
6831 [ exclusions ]
6832 ; ai aj
6833 C1* O2
6834 C1* N3
6835 C1* C5
6836 N1 C4
6837 C6 O2
6838 C6 N3
6839 C6 N4
6840 C2 N4
6841 C2 C5
6842 O2 C4
6843 [ angles ]
6844 ; ai aj ak gromos type
6845 O4* C4* C3* ga_8
6846 O4* C4* C5* ga_8
6847 C3* C4* C5* ga_7
6848 C4* O4* C1* ga_9
6849 O4* C1* N1 ga_8
6850 O4* C1* C2* ga_8
6851 N1 C1* C2* ga_7
6852 C1* N1 C6 ga_26
6853 C1* N1 C2 ga_26
6854 C6 N1 C2 ga_26
6855 N1 C6 C5 ga_26
6856 N1 C2 O2 ga_26
6857 N1 C2 N3 ga_26
6858 O2 C2 N3 ga_26
6859 C2 N3 C4 ga_26
6860 N3 C4 N4 ga_26
6861 N3 C4 C5 ga_26
6862 N4 C4 C5 ga_26
6863 C4 N4 H41 ga_22
6864 C4 N4 H42 ga_22
6865 H41 N4 H42 ga_23
6866 C6 C5 C4 ga_26
6867 C1* C2* O2* ga_8
6868 C1* C2* C3* ga_7
6869 O2* C2* C3* ga_8
6870 C2* O2* H2* ga_11
6871 C4* C3* C2* ga_7
6872 C4* C3* O3* ga_8
6873 C2* C3* O3* ga_8
6874 C3* O3* SI1 ga_25
6875 O3* SI1 OSI ga_11
6876 O3* SI1 C11 ga_11
6877 O3* SI1 C12 ga_11
6878 OSI SI1 C11 ga_11
6879 OSI SI1 C12 ga_11
6880 C11 SI1 C12 ga_11
6881 SI1 OSI SI2 ga_39
6882 OSI SI2 O5* ga_11
6883 OSI SI2 C21 ga_11
6884 OSI SI2 C22 ga_11
6885 O5* SI2 C21 ga_11
6886 O5* SI2 C22 ga_11
6887 C21 SI2 C22 ga_11
6888 SI2 O5* C5* ga_25
6889 C4* C5* O5* ga_8
6890 SI1 C11 C111 ga_12
6891 SI1 C11 C112 ga_12
6892 C111 C11 C112 ga_14
6893 SI1 C12 C121 ga_12
6894 SI1 C12 C122 ga_12
6895 C121 C12 C122 ga_14
6896 SI2 C21 C211 ga_12
6897 SI2 C21 C212 ga_12
6898 C211 C21 C212 ga_14
6899 SI2 C22 C221 ga_12
6900 SI2 C22 C222 ga_12
6901 C221 C22 C222 ga_14
6902 [ impropers ]
6903 ; ai aj ak al gromos type
6904 C4* O4* C5* C3* gi_2
6905 C3* C2* O3* C4* gi_2
6906 C2* O2* C3* C1* gi_2
6907 C1* N1 O4* C2* gi_2
6908 N1 C6 C2 C1* gi_1
6909 C2 N1 C6 C5 gi_1
6910 C6 N1 C2 N3 gi_1
6911 N1 C6 C5 C4 gi_1
6912 N1 C2 N3 C4 gi_1
6913 C6 C5 C4 N3 gi_1
6914 C2 N3 C4 C5 gi_1
6915 C2 N3 N1 O2 gi_1
6916 C4 C5 N3 N4 gi_1
6917 N4 H41 H42 C4 gi_1
6918 C11 C112 C111 SI1 gi_2
6919 C12 C122 C121 SI1 gi_2
6920 C21 C212 C211 SI2 gi_2
6921 C22 C222 C221 SI2 gi_2
6922 [ dihedrals ]
6923 ; ai aj ak al gromos type
6924 O5* C5* C4* C3* gd_17
6925 O5* C5* C4* C3* gd_7
6926 O5* C5* C4* O4* gd_8
6927 C5* C4* C3* C2* gd_17
6928 C5* C4* C3* O3* gd_7
6929 O4* C4* C3* C2* gd_7
6930 O4* C4* C3* O3* gd_8
6931 C4* C3* C2* C1* gd_17
6932 O3* C3* C2* C1* gd_7
6933 C4* C3* C2* O2* gd_7
6934 O3* C3* C2* O2* gd_8
6935 C3* C2* C1* O4* gd_17
6936 C3* C2* C1* O4* gd_7
6937 O2* C2* C1* N1 gd_7
6938 O2* C2* C1* O4* gd_8
6939 C3* C4* O4* C1* gd_14
6940 C4* O4* C1* C2* gd_14
6941 O4* C1* N1 C2 gd_6
6942 N3 C4 N4 H41 gd_4
6943 C1* C2* O2* H2* gd_12
6944 C4* C3* O3* SI1 gd_14
6945 C3* O3* SI1 OSI gd_14
6946 O3* SI1 OSI SI2 gd_14
6947 SI1 OSI SI2 O5* gd_14
6948 OSI SI2 O5* C5* gd_14
6949 SI2 O5* C5* C4* gd_14
6950 O3* SI1 C11 C111 gd_17
6951 O3* SI1 C12 C121 gd_17
6952 O5* SI2 C21 C211 gd_17
6953 O5* SI2 C22 C221 gd_17
6955 [ MTXH ]
6956 [ atoms ]
6957 N1 NR -0.28000 0
6958 HA1 H 0.28000 0
6959 C2 C 0.00000 0
6960 NA2 NT -0.83000 1
6961 HA21 H 0.41500 1
6962 HA22 H 0.41500 1
6963 N3 NR -0.36000 2
6964 C4 C 0.36000 2
6965 NA4 NT -0.83000 3
6966 HA41 H 0.41500 3
6967 HA42 H 0.41500 3
6968 C4A C 0.00000 4
6969 N5 NR -0.36000 4
6970 C6 C 0.36000 4
6971 C7 CR1 0.36000 5
6972 N8 NR -0.36000 5
6973 C8A C 0.00000 5
6974 C9 CH2 0.00000 6
6975 N10 NE 0.00000 6
6976 CM10 CH3 0.00000 6
6977 C14 C 0.00000 7
6978 C13 CR1 0.00000 7
6979 C15 CR1 0.00000 7
6980 C12 CR1 0.00000 8
6981 C16 CR1 0.00000 8
6982 C11 C 0.00000 8
6983 C C 0.38000 9
6984 O O -0.38000 9
6985 N N -0.28000 10
6986 H H 0.28000 10
6987 CA CH1 0.00000 11
6988 CB CH2 0.00000 11
6989 CG CH2 0.00000 11
6990 CD C 0.27000 12
6991 OE1 OM -0.63500 12
6992 OE2 OM -0.63500 12
6993 CT C 0.27000 13
6994 O1 OM -0.63500 13
6995 O2 OM -0.63500 13
6996 [ bonds ]
6997 N1 HA1 gb_2
6998 N1 C2 gb_16
6999 N1 C8A gb_16
7000 C2 NA2 gb_8
7001 C2 N3 gb_11
7002 NA2 HA21 gb_2
7003 NA2 HA22 gb_2
7004 N3 C4 gb_11
7005 C4 NA4 gb_8
7006 C4 C4A gb_15
7007 NA4 HA41 gb_2
7008 NA4 HA42 gb_2
7009 C4A N5 gb_11
7010 C4A C8A gb_15
7011 N5 C6 gb_11
7012 C6 C7 gb_15
7013 C6 C9 gb_26
7014 C7 N8 gb_6
7015 N8 C8A gb_11
7016 C9 N10 gb_20
7017 N10 CM10 gb_20
7018 N10 C14 gb_10
7019 C14 C13 gb_15
7020 C14 C15 gb_15
7021 C13 C12 gb_15
7022 C15 C16 gb_15
7023 C12 C11 gb_15
7024 C16 C11 gb_15
7025 C11 C gb_26
7026 C O gb_4
7027 C N gb_9
7028 N H gb_2
7029 N CA gb_20
7030 CA CB gb_26
7031 CA CT gb_26
7032 CB CG gb_26
7033 CG CD gb_26
7034 CD OE1 gb_5
7035 CD OE2 gb_5
7036 CT O1 gb_5
7037 CT O2 gb_5
7038 [ exclusions ]
7039 ; ai aj
7040 N1 C4
7041 N1 N5
7042 N1 C7
7043 HA1 NA2
7044 HA1 N3
7045 HA1 C4A
7046 HA1 N8
7047 C2 NA4
7048 C2 C4A
7049 C2 N8
7050 NA2 C4
7051 NA2 C8A
7052 N3 N5
7053 N3 C8A
7054 C4 C6
7055 C4 N8
7056 NA4 N5
7057 NA4 C8A
7058 C4A C7
7059 C4A C9
7060 N5 N8
7061 C6 C8A
7062 N8 C9
7063 N10 C12
7064 N10 C16
7065 C14 C11
7066 C13 C16
7067 C13 C
7068 C15 C12
7069 C15 C
7070 [ angles ]
7071 ; ai aj ak gromos type
7072 HA1 N1 C2 ga_24
7073 HA1 N1 C8A ga_24
7074 C2 N1 C8A ga_26
7075 N1 C2 NA2 ga_26
7076 N1 C2 N3 ga_26
7077 NA2 C2 N3 ga_26
7078 C2 NA2 HA21 ga_22
7079 C2 NA2 HA22 ga_22
7080 HA21 NA2 HA22 ga_23
7081 C2 N3 C4 ga_26
7082 N3 C4 NA4 ga_26
7083 N3 C4 C4A ga_26
7084 NA4 C4 C4A ga_26
7085 C4 NA4 HA41 ga_22
7086 C4 NA4 HA42 ga_22
7087 HA41 NA4 HA42 ga_23
7088 C4 C4A N5 ga_26
7089 C4 C4A C8A ga_26
7090 N5 C4A C8A ga_26
7091 C4A N5 C6 ga_26
7092 N5 C6 C7 ga_26
7093 N5 C6 C9 ga_26
7094 C7 C6 C9 ga_26
7095 C6 C7 N8 ga_26
7096 C7 N8 C8A ga_26
7097 N1 C8A C4A ga_26
7098 N1 C8A N8 ga_26
7099 C4A C8A N8 ga_26
7100 C6 C9 N10 ga_14
7101 C9 N10 CM10 ga_19
7102 C9 N10 C14 ga_32
7103 CM10 N10 C14 ga_22
7104 N10 C14 C13 ga_26
7105 N10 C14 C15 ga_26
7106 C13 C14 C15 ga_26
7107 C14 C13 C12 ga_26
7108 C14 C15 C16 ga_26
7109 C13 C12 C11 ga_26
7110 C15 C16 C11 ga_26
7111 C12 C11 C16 ga_26
7112 C12 C11 C ga_26
7113 C16 C11 C ga_26
7114 C11 C O ga_29
7115 C11 C N ga_18
7116 O C N ga_32
7117 C N H ga_31
7118 C N CA ga_30
7119 H N CA ga_17
7120 N CA CB ga_12
7121 N CA CT ga_12
7122 CB CA CT ga_12
7123 CA CB CG ga_14
7124 CB CG CD ga_14
7125 CG CD OE1 ga_21
7126 CG CD OE2 ga_21
7127 OE1 CD OE2 ga_37
7128 CA CT O1 ga_21
7129 CA CT O2 ga_21
7130 O1 CT O2 ga_37
7131 [ impropers ]
7132 ; ai aj ak al gromos type
7133 N1 C2 C8A HA1 gi_1
7134 C2 N1 N3 NA2 gi_1
7135 NA2 HA21 HA22 C2 gi_1
7136 C4 N3 C4A NA4 gi_1
7137 NA4 HA41 HA42 C4 gi_1
7138 N1 C2 N3 C4 gi_1
7139 C2 N3 C4 C4A gi_1
7140 N3 C4 C4A C8A gi_1
7141 C4 C4A C8A N1 gi_1
7142 C4A C8A N1 C2 gi_1
7143 C8A N1 C2 N3 gi_1
7144 C4A C4 N5 C8A gi_1
7145 C8A N1 N8 C4A gi_1
7146 C4A N5 C6 C7 gi_1
7147 N5 C6 C7 N8 gi_1
7148 C6 C7 N8 C8A gi_1
7149 C7 N8 C8A C4A gi_1
7150 N8 C8A C4A N5 gi_1
7151 C8A C4A N5 C6 gi_1
7152 C6 N5 C7 C9 gi_1
7153 N10 C9 C14 CM10 gi_1
7154 C14 C13 C15 N10 gi_1
7155 C14 C13 C12 C11 gi_1
7156 C14 C15 C16 C11 gi_1
7157 C13 C14 C15 C16 gi_1
7158 C15 C14 C13 C12 gi_1
7159 C13 C12 C11 C16 gi_1
7160 C15 C16 C11 C12 gi_1
7161 C11 C12 C16 C gi_1
7162 C C11 N O gi_1
7163 N C CA H gi_1
7164 CA N CT CB gi_2
7165 CD OE1 OE2 CG gi_1
7166 CT CA O2 O1 gi_1
7167 [ dihedrals ]
7168 ; ai aj ak al gromos type
7169 N1 C2 NA2 HA21 gd_4
7170 C4A C4 NA4 HA41 gd_4
7171 N5 C6 C9 N10 gd_20
7172 C6 C9 N10 C14 gd_19
7173 C9 N10 C14 C13 gd_4
7174 C12 C11 C N gd_1
7175 C11 C N CA gd_4
7176 C N CA CT gd_19
7177 N CA CT O1 gd_20
7178 N CA CB CG gd_17
7179 CA CB CG CD gd_17
7180 CB CG CD OE1 gd_20
7182 [ FOL ]
7183 [ atoms ]
7184 N1 NR -0.36000 0
7185 C2 C 0.36000 0
7186 NA2 NT -0.83000 1
7187 HA21 H 0.41500 1
7188 HA22 H 0.41500 1
7189 N3 NR -0.28000 2
7190 HA3 H 0.28000 2
7191 C4 C 0.38000 3
7192 OA4 O -0.38000 3
7193 C4A C 0.00000 4
7194 N5 NR -0.36000 4
7195 C6 C 0.36000 4
7196 C7 CR1 0.36000 5
7197 N8 NR -0.36000 5
7198 C8A C 0.00000 5
7199 C9 CH2 0.00000 6
7200 N10 NE -0.28000 6
7201 H10 H 0.28000 6
7202 C14 C 0.00000 7
7203 C13 CR1 0.00000 7
7204 C15 CR1 0.00000 7
7205 C12 CR1 0.00000 8
7206 C16 CR1 0.00000 8
7207 C11 C 0.00000 8
7208 C C 0.38000 9
7209 O O -0.38000 9
7210 N N -0.28000 10
7211 H H 0.28000 10
7212 CA CH1 0.00000 11
7213 CB CH2 0.00000 11
7214 CG CH2 0.00000 11
7215 CD C 0.27000 12
7216 OE1 OM -0.63500 12
7217 OE2 OM -0.63500 12
7218 CT C 0.27000 13
7219 O1 OM -0.63500 13
7220 O2 OM -0.63500 13
7221 [ bonds ]
7222 N1 C2 gb_11
7223 N1 C8A gb_11
7224 C2 NA2 gb_8
7225 C2 N3 gb_16
7226 NA2 HA21 gb_2
7227 NA2 HA22 gb_2
7228 N3 HA3 gb_2
7229 N3 C4 gb_16
7230 C4 OA4 gb_4
7231 C4 C4A gb_15
7232 C4A N5 gb_11
7233 C4A C8A gb_15
7234 N5 C6 gb_11
7235 C6 C7 gb_15
7236 C6 C9 gb_26
7237 C7 N8 gb_6
7238 N8 C8A gb_11
7239 C9 N10 gb_20
7240 N10 H10 gb_2
7241 N10 C14 gb_10
7242 C14 C13 gb_15
7243 C14 C15 gb_15
7244 C13 C12 gb_15
7245 C15 C16 gb_15
7246 C12 C11 gb_15
7247 C16 C11 gb_15
7248 C11 C gb_26
7249 C O gb_4
7250 C N gb_9
7251 N H gb_2
7252 N CA gb_20
7253 CA CB gb_26
7254 CA CT gb_26
7255 CB CG gb_26
7256 CG CD gb_26
7257 CD OE1 gb_5
7258 CD OE2 gb_5
7259 CT O1 gb_5
7260 CT O2 gb_5
7261 [ exclusions ]
7262 ; ai aj
7263 N1 HA3
7264 N1 C4
7265 N1 N5
7266 N1 C7
7267 C2 OA4
7268 C2 C4A
7269 C2 N8
7270 NA2 HA3
7271 NA2 C4
7272 NA2 C8A
7273 N3 N5
7274 N3 C8A
7275 HA3 OA4
7276 HA3 C4A
7277 C4 C6
7278 C4 N8
7279 OA4 N5
7280 OA4 C8A
7281 C4A C7
7282 C4A C9
7283 N5 N8
7284 C6 C8A
7285 N8 C9
7286 N10 C12
7287 N10 C16
7288 C14 C11
7289 C13 C16
7290 C13 C
7291 C15 C12
7292 C15 C
7293 [ angles ]
7294 ; ai aj ak gromos type
7295 C2 N1 C8A ga_26
7296 N1 C2 NA2 ga_26
7297 N1 C2 N3 ga_26
7298 NA2 C2 N3 ga_26
7299 C2 NA2 HA21 ga_22
7300 C2 NA2 HA22 ga_22
7301 HA21 NA2 HA22 ga_23
7302 C2 N3 HA3 ga_24
7303 C2 N3 C4 ga_26
7304 HA3 N3 C4 ga_24
7305 N3 C4 OA4 ga_26
7306 N3 C4 C4A ga_26
7307 OA4 C4 C4A ga_26
7308 C4 C4A N5 ga_26
7309 C4 C4A C8A ga_26
7310 N5 C4A C8A ga_26
7311 C4A N5 C6 ga_26
7312 N5 C6 C7 ga_26
7313 N5 C6 C9 ga_26
7314 C7 C6 C9 ga_26
7315 C6 C7 N8 ga_26
7316 C7 N8 C8A ga_26
7317 N1 C8A C4A ga_26
7318 N1 C8A N8 ga_26
7319 C4A C8A N8 ga_26
7320 C6 C9 N10 ga_14
7321 C9 N10 H10 ga_19
7322 C9 N10 C14 ga_32
7323 H10 N10 C14 ga_22
7324 N10 C14 C13 ga_26
7325 N10 C14 C15 ga_26
7326 C13 C14 C15 ga_26
7327 C14 C13 C12 ga_26
7328 C14 C15 C16 ga_26
7329 C13 C12 C11 ga_26
7330 C15 C16 C11 ga_26
7331 C12 C11 C16 ga_26
7332 C12 C11 C ga_26
7333 C16 C11 C ga_26
7334 C11 C O ga_29
7335 C11 C N ga_18
7336 O C N ga_32
7337 C N H ga_31
7338 C N CA ga_30
7339 H N CA ga_17
7340 N CA CB ga_12
7341 N CA CT ga_12
7342 CB CA CT ga_12
7343 CA CB CG ga_14
7344 CB CG CD ga_14
7345 CG CD OE1 ga_21
7346 CG CD OE2 ga_21
7347 OE1 CD OE2 ga_37
7348 CA CT O1 ga_21
7349 CA CT O2 ga_21
7350 O1 CT O2 ga_37
7351 [ impropers ]
7352 ; ai aj ak al gromos type
7353 C2 N1 N3 NA2 gi_1
7354 NA2 HA21 HA22 C2 gi_1
7355 N3 C2 C4 HA3 gi_1
7356 C4 N3 C4A OA4 gi_1
7357 N1 C2 N3 C4 gi_1
7358 C2 N3 C4 C4A gi_1
7359 N3 C4 C4A C8A gi_1
7360 C4 C4A C8A N1 gi_1
7361 C4A C8A N1 C2 gi_1
7362 C8A N1 C2 N3 gi_1
7363 C4A C4 N5 C8A gi_1
7364 C8A N1 N8 C4A gi_1
7365 C4A N5 C6 C7 gi_1
7366 N5 C6 C7 N8 gi_1
7367 C6 C7 N8 C8A gi_1
7368 C7 N8 C8A C4A gi_1
7369 N8 C8A C4A N5 gi_1
7370 C8A C4A N5 C6 gi_1
7371 C6 N5 C7 C9 gi_1
7372 N10 C9 C14 H10 gi_1
7373 C14 C13 C15 N10 gi_1
7374 C14 C13 C12 C11 gi_1
7375 C14 C15 C16 C11 gi_1
7376 C13 C14 C15 C16 gi_1
7377 C15 C14 C13 C12 gi_1
7378 C13 C12 C11 C16 gi_1
7379 C15 C16 C11 C12 gi_1
7380 C11 C12 C16 C gi_1
7381 C C11 N O gi_1
7382 N C CA H gi_1
7383 CA N CT CB gi_2
7384 CD OE1 OE2 CG gi_1
7385 CT CA O2 O1 gi_1
7386 [ dihedrals ]
7387 ; ai aj ak al gromos type
7388 N1 C2 NA2 HA21 gd_4
7389 N5 C6 C9 N10 gd_20
7390 C6 C9 N10 C14 gd_19
7391 C9 N10 C14 C13 gd_4
7392 C12 C11 C N gd_1
7393 C11 C N CA gd_4
7394 C N CA CT gd_19
7395 N CA CT O1 gd_20
7396 N CA CB CG gd_17
7397 CA CB CG CD gd_17
7398 CB CG CD OE1 gd_20
7400 [ DHF ]
7401 [ atoms ]
7402 N1 NR -0.36000 0
7403 C2 C 0.36000 0
7404 NA2 NT -0.83000 1
7405 HA21 H 0.41500 1
7406 HA22 H 0.41500 1
7407 N3 NR -0.28000 2
7408 HA3 H 0.28000 2
7409 C4 C 0.38000 3
7410 OA4 O -0.38000 3
7411 C4A C 0.00000 4
7412 N5 NR -0.36000 4
7413 C6 C 0.36000 4
7414 C7 CH2 0.00000 5
7415 N8 NR -0.28000 5
7416 HA8 H 0.28000 5
7417 C8A C 0.00000 5
7418 C9 CH2 0.00000 6
7419 N10 NE -0.28000 6
7420 H10 H 0.28000 6
7421 C14 C 0.00000 7
7422 C13 CR1 0.00000 7
7423 C15 CR1 0.00000 7
7424 C12 CR1 0.00000 8
7425 C16 CR1 0.00000 8
7426 C11 C 0.00000 8
7427 C C 0.38000 9
7428 O O -0.38000 9
7429 N N -0.28000 10
7430 H H 0.28000 10
7431 CA CH1 0.00000 11
7432 CB CH2 0.00000 11
7433 CG CH2 0.00000 11
7434 CD C 0.27000 12
7435 OE1 OM -0.63500 12
7436 OE2 OM -0.63500 12
7437 CT C 0.27000 13
7438 O1 OM -0.63500 13
7439 O2 OM -0.63500 13
7440 [ bonds ]
7441 N1 C2 gb_11
7442 N1 C8A gb_11
7443 C2 NA2 gb_8
7444 C2 N3 gb_16
7445 NA2 HA21 gb_2
7446 NA2 HA22 gb_2
7447 N3 HA3 gb_2
7448 N3 C4 gb_16
7449 C4 OA4 gb_4
7450 C4 C4A gb_15
7451 C4A N5 gb_11
7452 C4A C8A gb_15
7453 N5 C6 gb_11
7454 C6 C7 gb_14
7455 C6 C9 gb_26
7456 C7 N8 gb_16
7457 N8 HA8 gb_2
7458 N8 C8A gb_16
7459 C9 N10 gb_20
7460 N10 H10 gb_2
7461 N10 C14 gb_10
7462 C14 C13 gb_15
7463 C14 C15 gb_15
7464 C13 C12 gb_15
7465 C15 C16 gb_15
7466 C12 C11 gb_15
7467 C16 C11 gb_15
7468 C11 C gb_26
7469 C O gb_4
7470 C N gb_9
7471 N H gb_2
7472 N CA gb_20
7473 CA CB gb_26
7474 CA CT gb_26
7475 CB CG gb_26
7476 CG CD gb_26
7477 CD OE1 gb_5
7478 CD OE2 gb_5
7479 CT O1 gb_5
7480 CT O2 gb_5
7481 [ exclusions ]
7482 ; ai aj
7483 N1 HA3
7484 N1 C4
7485 N1 N5
7486 N1 C7
7487 N1 HA8
7488 C2 OA4
7489 C2 C4A
7490 C2 N8
7491 NA2 HA3
7492 NA2 C4
7493 NA2 C8A
7494 N3 N5
7495 N3 C8A
7496 HA3 OA4
7497 HA3 C4A
7498 C4 C6
7499 C4 N8
7500 OA4 N5
7501 OA4 C8A
7502 C4A C7
7503 C4A HA8
7504 C4A C9
7505 N5 N8
7506 C6 HA8
7507 C6 C8A
7508 N8 C9
7509 N10 C12
7510 N10 C16
7511 C14 C11
7512 C13 C16
7513 C13 C
7514 C15 C12
7515 C15 C
7516 [ angles ]
7517 ; ai aj ak gromos type
7518 C2 N1 C8A ga_26
7519 N1 C2 NA2 ga_26
7520 N1 C2 N3 ga_26
7521 NA2 C2 N3 ga_26
7522 C2 NA2 HA21 ga_22
7523 C2 NA2 HA22 ga_22
7524 HA21 NA2 HA22 ga_23
7525 C2 N3 HA3 ga_24
7526 C2 N3 C4 ga_26
7527 HA3 N3 C4 ga_24
7528 N3 C4 OA4 ga_26
7529 N3 C4 C4A ga_26
7530 OA4 C4 C4A ga_26
7531 C4 C4A N5 ga_26
7532 C4 C4A C8A ga_26
7533 N5 C4A C8A ga_26
7534 C4A N5 C6 ga_26
7535 N5 C6 C7 ga_26
7536 N5 C6 C9 ga_26
7537 C7 C6 C9 ga_26
7538 C6 C7 N8 ga_26
7539 C7 N8 HA8 ga_24
7540 C7 N8 C8A ga_26
7541 HA8 N8 C8A ga_24
7542 N1 C8A C4A ga_26
7543 N1 C8A N8 ga_26
7544 C4A C8A N8 ga_26
7545 C6 C9 N10 ga_14
7546 C9 N10 H10 ga_19
7547 C9 N10 C14 ga_32
7548 H10 N10 C14 ga_22
7549 N10 C14 C13 ga_26
7550 N10 C14 C15 ga_26
7551 C13 C14 C15 ga_26
7552 C14 C13 C12 ga_26
7553 C14 C15 C16 ga_26
7554 C13 C12 C11 ga_26
7555 C15 C16 C11 ga_26
7556 C12 C11 C16 ga_26
7557 C12 C11 C ga_26
7558 C16 C11 C ga_26
7559 C11 C O ga_29
7560 C11 C N ga_18
7561 O C N ga_32
7562 C N H ga_31
7563 C N CA ga_30
7564 H N CA ga_17
7565 N CA CB ga_12
7566 N CA CT ga_12
7567 CB CA CT ga_12
7568 CA CB CG ga_14
7569 CB CG CD ga_14
7570 CG CD OE1 ga_21
7571 CG CD OE2 ga_21
7572 OE1 CD OE2 ga_37
7573 CA CT O1 ga_21
7574 CA CT O2 ga_21
7575 O1 CT O2 ga_37
7576 [ impropers ]
7577 ; ai aj ak al gromos type
7578 C2 N1 N3 NA2 gi_1
7579 NA2 HA21 HA22 C2 gi_1
7580 N3 C2 C4 HA3 gi_1
7581 C4 N3 C4A OA4 gi_1
7582 N1 C2 N3 C4 gi_1
7583 C2 N3 C4 C4A gi_1
7584 N3 C4 C4A C8A gi_1
7585 C4 C4A C8A N1 gi_1
7586 C4A C8A N1 C2 gi_1
7587 C8A N1 C2 N3 gi_1
7588 C4A C4 N5 C8A gi_1
7589 C8A N1 N8 C4A gi_1
7590 C4A N5 C6 C7 gi_1
7591 N5 C6 C7 N8 gi_1
7592 C6 C7 N8 C8A gi_1
7593 C7 N8 C8A C4A gi_1
7594 N8 C8A C4A N5 gi_1
7595 C8A C4A N5 C6 gi_1
7596 N8 C7 C8A HA8 gi_1
7597 C6 N5 C7 C9 gi_1
7598 N10 C9 C14 H10 gi_1
7599 C14 C13 C15 N10 gi_1
7600 C14 C13 C12 C11 gi_1
7601 C14 C15 C16 C11 gi_1
7602 C13 C14 C15 C16 gi_1
7603 C15 C14 C13 C12 gi_1
7604 C13 C12 C11 C16 gi_1
7605 C15 C16 C11 C12 gi_1
7606 C11 C12 C16 C gi_1
7607 C C11 N O gi_1
7608 N C CA H gi_1
7609 CA N CT CB gi_2
7610 CD OE1 OE2 CG gi_1
7611 CT CA O2 O1 gi_1
7612 [ dihedrals ]
7613 ; ai aj ak al gromos type
7614 N1 C2 NA2 HA21 gd_4
7615 N5 C6 C9 N10 gd_20
7616 C6 C9 N10 C14 gd_19
7617 C9 N10 C14 C13 gd_4
7618 C12 C11 C N gd_1
7619 C11 C N CA gd_4
7620 C N CA CT gd_19
7621 N CA CT O1 gd_20
7622 N CA CB CG gd_17
7623 CA CB CG CD gd_17
7624 CB CG CD OE1 gd_20
7626 [ THF ]
7627 [ atoms ]
7628 N1 NR -0.36000 0
7629 C2 C 0.36000 0
7630 NA2 NT -0.83000 1
7631 HA21 H 0.41500 1
7632 HA22 H 0.41500 1
7633 N3 NR -0.28000 2
7634 HA3 H 0.28000 2
7635 C4 C 0.38000 3
7636 OA4 O -0.38000 3
7637 C4A C 0.00000 4
7638 N5 NR -0.28000 4
7639 HA5 H 0.28000 4
7640 C6 CH1 0.00000 4
7641 C7 CH2 0.00000 5
7642 N8 NR -0.28000 5
7643 HA8 H 0.28000 5
7644 C8A C 0.00000 5
7645 C9 CH2 0.00000 6
7646 N10 NE -0.28000 6
7647 H10 H 0.28000 6
7648 C14 C 0.00000 7
7649 C13 CR1 0.00000 7
7650 C15 CR1 0.00000 7
7651 C12 CR1 0.00000 8
7652 C16 CR1 0.00000 8
7653 C11 C 0.00000 8
7654 C C 0.38000 9
7655 O O -0.38000 9
7656 N N -0.28000 10
7657 H H 0.28000 10
7658 CA CH1 0.00000 11
7659 CB CH2 0.00000 11
7660 CG CH2 0.00000 11
7661 CD C 0.27000 12
7662 OE1 OM -0.63500 12
7663 OE2 OM -0.63500 12
7664 CT C 0.27000 13
7665 O1 OM -0.63500 13
7666 O2 OM -0.63500 13
7667 [ bonds ]
7668 N1 C2 gb_11
7669 N1 C8A gb_11
7670 C2 NA2 gb_8
7671 C2 N3 gb_16
7672 NA2 HA21 gb_2
7673 NA2 HA22 gb_2
7674 N3 HA3 gb_2
7675 N3 C4 gb_16
7676 C4 OA4 gb_4
7677 C4 C4A gb_15
7678 C4A N5 gb_16
7679 C4A C8A gb_15
7680 N5 HA5 gb_2
7681 N5 C6 gb_22
7682 C6 C7 gb_25
7683 C6 C9 gb_26
7684 C7 N8 gb_22
7685 N8 HA8 gb_2
7686 N8 C8A gb_16
7687 C9 N10 gb_20
7688 N10 H10 gb_2
7689 N10 C14 gb_10
7690 C14 C13 gb_15
7691 C14 C15 gb_15
7692 C13 C12 gb_15
7693 C15 C16 gb_15
7694 C12 C11 gb_15
7695 C16 C11 gb_15
7696 C11 C gb_26
7697 C O gb_4
7698 C N gb_9
7699 N H gb_2
7700 N CA gb_20
7701 CA CB gb_26
7702 CA CT gb_26
7703 CB CG gb_26
7704 CG CD gb_26
7705 CD OE1 gb_5
7706 CD OE2 gb_5
7707 CT O1 gb_5
7708 CT O2 gb_5
7709 [ exclusions ]
7710 ; ai aj
7711 N1 HA3
7712 N1 C4
7713 N1 N5
7714 C2 OA4
7715 C2 C4A
7716 C2 N8
7717 NA2 HA3
7718 NA2 C4
7719 NA2 C8A
7720 N3 N5
7721 N3 C8A
7722 HA3 OA4
7723 HA3 C4A
7724 C4 N8
7725 OA4 N5
7726 OA4 C8A
7727 N10 C12
7728 N10 C16
7729 C14 C11
7730 C13 C16
7731 C13 C
7732 C15 C12
7733 C15 C
7734 [ angles ]
7735 ; ai aj ak gromos type
7736 C2 N1 C8A ga_26
7737 N1 C2 NA2 ga_26
7738 N1 C2 N3 ga_26
7739 NA2 C2 N3 ga_26
7740 C2 NA2 HA21 ga_22
7741 C2 NA2 HA22 ga_22
7742 HA21 NA2 HA22 ga_23
7743 C2 N3 HA3 ga_24
7744 C2 N3 C4 ga_26
7745 HA3 N3 C4 ga_24
7746 N3 C4 OA4 ga_26
7747 N3 C4 C4A ga_26
7748 OA4 C4 C4A ga_26
7749 C4 C4A N5 ga_26
7750 C4 C4A C8A ga_26
7751 N5 C4A C8A ga_26
7752 C4A N5 HA5 ga_24
7753 C4A N5 C6 ga_26
7754 HA5 N5 C6 ga_24
7755 N5 C6 C7 ga_7
7756 N5 C6 C9 ga_7
7757 C7 C6 C9 ga_7
7758 C6 C7 N8 ga_7
7759 C7 N8 HA8 ga_24
7760 C7 N8 C8A ga_26
7761 HA8 N8 C8A ga_24
7762 N1 C8A C4A ga_26
7763 N1 C8A N8 ga_26
7764 C4A C8A N8 ga_26
7765 C6 C9 N10 ga_14
7766 C9 N10 H10 ga_19
7767 C9 N10 C14 ga_32
7768 H10 N10 C14 ga_22
7769 N10 C14 C13 ga_26
7770 N10 C14 C15 ga_26
7771 C13 C14 C15 ga_26
7772 C14 C13 C12 ga_26
7773 C14 C15 C16 ga_26
7774 C13 C12 C11 ga_26
7775 C15 C16 C11 ga_26
7776 C12 C11 C16 ga_26
7777 C12 C11 C ga_26
7778 C16 C11 C ga_26
7779 C11 C O ga_29
7780 C11 C N ga_18
7781 O C N ga_32
7782 C N H ga_31
7783 C N CA ga_30
7784 H N CA ga_17
7785 N CA CB ga_12
7786 N CA CT ga_12
7787 CB CA CT ga_12
7788 CA CB CG ga_14
7789 CB CG CD ga_14
7790 CG CD OE1 ga_21
7791 CG CD OE2 ga_21
7792 OE1 CD OE2 ga_37
7793 CA CT O1 ga_21
7794 CA CT O2 ga_21
7795 O1 CT O2 ga_37
7796 [ impropers ]
7797 ; ai aj ak al gromos type
7798 C2 N1 N3 NA2 gi_1
7799 NA2 HA21 HA22 C2 gi_1
7800 N3 C2 C4 HA3 gi_1
7801 C4 N3 C4A OA4 gi_1
7802 N1 C2 N3 C4 gi_1
7803 C2 N3 C4 C4A gi_1
7804 N3 C4 C4A C8A gi_1
7805 C4 C4A C8A N1 gi_1
7806 C4A C8A N1 C2 gi_1
7807 C8A N1 C2 N3 gi_1
7808 C4A C4 N5 C8A gi_1
7809 C8A N1 N8 C4A gi_1
7810 C4A N5 C6 C7 gi_1
7811 N5 C6 C7 N8 gi_1
7812 C6 C7 N8 C8A gi_1
7813 C7 N8 C8A C4A gi_1
7814 N8 C8A C4A N5 gi_1
7815 C8A C4A N5 C6 gi_1
7816 N5 C4A C6 HA5 gi_1
7817 N8 C7 C8A HA8 gi_1
7818 C6 N5 C7 C9 gi_1
7819 N10 C9 C14 H10 gi_1
7820 C14 C13 C15 N10 gi_1
7821 C14 C13 C12 C11 gi_1
7822 C14 C15 C16 C11 gi_1
7823 C13 C14 C15 C16 gi_1
7824 C15 C14 C13 C12 gi_1
7825 C13 C12 C11 C16 gi_1
7826 C15 C16 C11 C12 gi_1
7827 C11 C12 C16 C gi_1
7828 C C11 N O gi_1
7829 N C CA H gi_1
7830 CA N CT CB gi_2
7831 CD OE1 OE2 CG gi_1
7832 CT CA O2 O1 gi_1
7833 [ dihedrals ]
7834 ; ai aj ak al gromos type
7835 N1 C2 NA2 HA21 gd_4
7836 N5 C6 C9 N10 gd_20
7837 C6 C9 N10 C14 gd_19
7838 C9 N10 C14 C13 gd_4
7839 C12 C11 C N gd_1
7840 C11 C N CA gd_4
7841 C N CA CT gd_19
7842 N CA CT O1 gd_20
7843 N CA CB CG gd_17
7844 CA CB CG CD gd_17
7845 CB CG CD OE1 gd_20
7847 [ TMP ]
7848 [ atoms ]
7849 N1 NR -0.36000 0
7850 C2 C 0.36000 0
7851 NA2 NT -0.83000 1
7852 HA21 H 0.41500 1
7853 HA22 H 0.41500 1
7854 N3 NR -0.36000 2
7855 C4 C 0.36000 2
7856 NA4 NT -0.83000 3
7857 HA41 H 0.41500 3
7858 HA42 H 0.41500 3
7859 C5 C 0.00000 4
7860 C6 CR1 0.00000 4
7861 C7 CH2 0.00000 4
7862 C11 C 0.00000 5
7863 C12 CR1 0.00000 5
7864 C16 CR1 0.00000 5
7865 C13 C 0.18000 6
7866 O13 OA -0.36000 6
7867 CM13 CH3 0.18000 6
7868 C15 C 0.18000 7
7869 O15 OA -0.36000 7
7870 CM15 CH3 0.18000 7
7871 C14 C 0.18000 8
7872 O14 OA -0.36000 8
7873 CM14 CH3 0.18000 8
7874 [ bonds ]
7875 N1 C2 gb_11
7876 N1 C6 gb_6
7877 C2 NA2 gb_8
7878 C2 N3 gb_11
7879 NA2 HA21 gb_2
7880 NA2 HA22 gb_2
7881 N3 C4 gb_11
7882 C4 NA4 gb_8
7883 C4 C5 gb_15
7884 NA4 HA41 gb_2
7885 NA4 HA42 gb_2
7886 C5 C6 gb_15
7887 C5 C7 gb_26
7888 C7 C11 gb_26
7889 C11 C12 gb_15
7890 C11 C16 gb_15
7891 C12 C13 gb_15
7892 C16 C15 gb_15
7893 C13 O13 gb_12
7894 C13 C14 gb_15
7895 O13 CM13 gb_17
7896 C15 O15 gb_12
7897 C15 C14 gb_15
7898 O15 CM15 gb_17
7899 C14 O14 gb_12
7900 O14 CM14 gb_17
7901 [ exclusions ]
7902 ; ai aj
7903 N1 C4
7904 N1 C7
7905 C2 NA4
7906 C2 C5
7907 NA2 C4
7908 NA2 C6
7909 N3 C6
7910 N3 C7
7911 C7 C13
7912 C7 C15
7913 C11 O13
7914 C11 O15
7915 C11 C14
7916 C12 C15
7917 C12 O14
7918 C16 C13
7919 C16 O14
7920 C13 O15
7921 O13 C15
7922 O13 O14
7923 O15 O14
7924 [ angles ]
7925 ; ai aj ak gromos type
7926 C2 N1 C6 ga_26
7927 N1 C2 NA2 ga_26
7928 N1 C2 N3 ga_26
7929 NA2 C2 N3 ga_26
7930 C2 NA2 HA21 ga_22
7931 C2 NA2 HA22 ga_22
7932 HA21 NA2 HA22 ga_23
7933 C2 N3 C4 ga_26
7934 N3 C4 NA4 ga_26
7935 N3 C4 C5 ga_26
7936 NA4 C4 C5 ga_26
7937 C4 NA4 HA41 ga_22
7938 C4 NA4 HA42 ga_22
7939 HA41 NA4 HA42 ga_23
7940 C4 C5 C6 ga_26
7941 C4 C5 C7 ga_26
7942 C6 C5 C7 ga_26
7943 N1 C6 C5 ga_26
7944 C5 C7 C11 ga_14
7945 C7 C11 C12 ga_26
7946 C7 C11 C16 ga_26
7947 C12 C11 C16 ga_26
7948 C11 C12 C13 ga_26
7949 C11 C16 C15 ga_26
7950 C12 C13 O13 ga_26
7951 C12 C13 C14 ga_26
7952 O13 C13 C14 ga_26
7953 C13 O13 CM13 ga_19
7954 C16 C15 O15 ga_26
7955 C16 C15 C14 ga_26
7956 O15 C15 C14 ga_26
7957 C15 O15 CM15 ga_19
7958 C13 C14 C15 ga_26
7959 C13 C14 O14 ga_26
7960 C15 C14 O14 ga_26
7961 C14 O14 CM14 ga_19
7962 [ impropers ]
7963 ; ai aj ak al gromos type
7964 C2 N1 N3 NA2 gi_1
7965 NA2 HA21 HA22 C2 gi_1
7966 C4 N3 C5 NA4 gi_1
7967 NA4 HA41 HA42 C4 gi_1
7968 N1 C2 N3 C4 gi_1
7969 C2 N3 C4 C5 gi_1
7970 N3 C4 C5 C6 gi_1
7971 C4 C5 C6 N1 gi_1
7972 C5 C6 N1 C2 gi_1
7973 C6 N1 C2 N3 gi_1
7974 C5 C4 C6 C7 gi_1
7975 C11 C12 C16 C7 gi_1
7976 C11 C12 C13 C14 gi_1
7977 C11 C16 C15 C14 gi_1
7978 C12 C13 C14 C15 gi_1
7979 C12 C11 C16 C15 gi_1
7980 C16 C15 C14 C13 gi_1
7981 C16 C11 C12 C13 gi_1
7982 C13 C12 O13 C14 gi_1
7983 C15 C16 O15 C14 gi_1
7984 C14 C13 O14 C15 gi_1
7985 [ dihedrals ]
7986 ; ai aj ak al gromos type
7987 N1 C2 NA2 HA21 gd_4
7988 C5 C4 NA4 HA41 gd_4
7989 C4 C5 C7 C11 gd_20
7990 C5 C7 C11 C12 gd_20
7991 C12 C13 O13 CM13 gd_2
7992 C12 C13 O13 CM13 gd_3
7993 C16 C15 O15 CM15 gd_2
7994 C16 C15 O15 CM15 gd_3
7995 C13 C14 O14 CM14 gd_2
7997 [ TMPH ]
7998 [ atoms ]
7999 N1 NR -0.28000 0
8000 HA1 H 0.28000 0
8001 C2 C 0.00000 0
8002 NA2 NT -0.83000 1
8003 HA21 H 0.41500 1
8004 HA22 H 0.41500 1
8005 N3 NR -0.36000 2
8006 C4 C 0.36000 2
8007 NA4 NT -0.83000 3
8008 HA41 H 0.41500 3
8009 HA42 H 0.41500 3
8010 C5 C 0.00000 4
8011 C6 CR1 0.00000 4
8012 C7 CH2 0.00000 4
8013 C11 C 0.00000 5
8014 C12 CR1 0.00000 5
8015 C16 CR1 0.00000 5
8016 C13 C 0.18000 6
8017 O13 OA -0.36000 6
8018 CM13 CH3 0.18000 6
8019 C15 C 0.18000 7
8020 O15 OA -0.36000 7
8021 CM15 CH3 0.18000 7
8022 C14 C 0.18000 8
8023 O14 OA -0.36000 8
8024 CM14 CH3 0.18000 8
8025 [ bonds ]
8026 N1 HA1 gb_2
8027 N1 C2 gb_16
8028 N1 C6 gb_16
8029 C2 NA2 gb_8
8030 C2 N3 gb_11
8031 NA2 HA21 gb_2
8032 NA2 HA22 gb_2
8033 N3 C4 gb_11
8034 C4 NA4 gb_8
8035 C4 C5 gb_15
8036 NA4 HA41 gb_2
8037 NA4 HA42 gb_2
8038 C5 C6 gb_15
8039 C5 C7 gb_26
8040 C7 C11 gb_26
8041 C11 C12 gb_15
8042 C11 C16 gb_15
8043 C12 C13 gb_15
8044 C16 C15 gb_15
8045 C13 O13 gb_12
8046 C13 C14 gb_15
8047 O13 CM13 gb_17
8048 C15 O15 gb_12
8049 C15 C14 gb_15
8050 O15 CM15 gb_17
8051 C14 O14 gb_12
8052 O14 CM14 gb_17
8053 [ exclusions ]
8054 ; ai aj
8055 N1 C4
8056 N1 C7
8057 HA1 NA2
8058 HA1 N3
8059 HA1 C5
8060 C2 NA4
8061 C2 C5
8062 NA2 C4
8063 NA2 C6
8064 N3 C6
8065 N3 C7
8066 NA4 C6
8067 NA4 C7
8068 C7 C13
8069 C7 C15
8070 C11 O13
8071 C11 O15
8072 C11 C14
8073 C12 C15
8074 C12 O14
8075 C16 C13
8076 C16 O14
8077 C13 O15
8078 O13 C15
8079 O13 O14
8080 O15 O14
8081 [ angles ]
8082 ; ai aj ak gromos type
8083 HA1 N1 C2 ga_24
8084 HA1 N1 C6 ga_24
8085 C2 N1 C6 ga_26
8086 N1 C2 NA2 ga_26
8087 N1 C2 N3 ga_26
8088 NA2 C2 N3 ga_26
8089 C2 NA2 HA21 ga_22
8090 C2 NA2 HA22 ga_22
8091 HA21 NA2 HA22 ga_23
8092 C2 N3 C4 ga_26
8093 N3 C4 NA4 ga_26
8094 N3 C4 C5 ga_26
8095 NA4 C4 C5 ga_26
8096 C4 NA4 HA41 ga_22
8097 C4 NA4 HA42 ga_22
8098 HA41 NA4 HA42 ga_23
8099 C4 C5 C6 ga_26
8100 C4 C5 C7 ga_26
8101 C6 C5 C7 ga_26
8102 N1 C6 C5 ga_26
8103 C5 C7 C11 ga_14
8104 C7 C11 C12 ga_26
8105 C7 C11 C16 ga_26
8106 C12 C11 C16 ga_26
8107 C11 C12 C13 ga_26
8108 C11 C16 C15 ga_26
8109 C12 C13 O13 ga_26
8110 C12 C13 C14 ga_26
8111 O13 C13 C14 ga_26
8112 C13 O13 CM13 ga_19
8113 C16 C15 O15 ga_26
8114 C16 C15 C14 ga_26
8115 O15 C15 C14 ga_26
8116 C15 O15 CM15 ga_19
8117 C13 C14 C15 ga_26
8118 C13 C14 O14 ga_26
8119 C15 C14 O14 ga_26
8120 C14 O14 CM14 ga_19
8121 [ impropers ]
8122 ; ai aj ak al gromos type
8123 N1 C2 C6 HA1 gi_1
8124 C2 N1 N3 NA2 gi_1
8125 NA2 HA21 HA22 C2 gi_1
8126 C4 N3 C5 NA4 gi_1
8127 NA4 HA41 HA42 C4 gi_1
8128 N1 C2 N3 C4 gi_1
8129 C2 N3 C4 C5 gi_1
8130 N3 C4 C5 C6 gi_1
8131 C4 C5 C6 N1 gi_1
8132 C5 C6 N1 C2 gi_1
8133 C6 N1 C2 N3 gi_1
8134 C5 C4 C6 C7 gi_1
8135 C11 C12 C16 C7 gi_1
8136 C11 C12 C13 C14 gi_1
8137 C11 C16 C15 C14 gi_1
8138 C12 C13 C14 C15 gi_1
8139 C12 C11 C16 C15 gi_1
8140 C16 C15 C14 C13 gi_1
8141 C16 C11 C12 C13 gi_1
8142 C13 C12 O13 C14 gi_1
8143 C15 C16 O15 C14 gi_1
8144 C14 C13 O14 C15 gi_1
8145 [ dihedrals ]
8146 ; ai aj ak al gromos type
8147 N1 C2 NA2 HA21 gd_4
8148 C5 C4 NA4 HA41 gd_4
8149 C4 C5 C7 C11 gd_20
8150 C5 C7 C11 C12 gd_20
8151 C12 C13 O13 CM13 gd_2
8152 C12 C13 O13 CM13 gd_3
8153 C16 C15 O15 CM15 gd_2
8154 C16 C15 O15 CM15 gd_3
8155 C13 C14 O14 CM14 gd_2
8157 [ TMPHP ]
8158 [ atoms ]
8159 N1 NR -0.36000 0
8160 HA1 H 0.36000 0
8161 C2 C 0.60000 0
8162 NA2 NT -0.73000 1
8163 HA21 H 0.41500 1
8164 HA22 H 0.41500 1
8165 N3 NR -0.36000 2
8166 C4 C 0.36000 2
8167 NA4 NT -0.83000 3
8168 HA41 H 0.41500 3
8169 HA42 H 0.41500 3
8170 C5 C 0.10000 4
8171 C6 CR1 0.20000 4
8172 C7 CH2 0.00000 4
8173 C11 C 0.00000 5
8174 C12 CR1 0.00000 5
8175 C16 CR1 0.00000 5
8176 C13 C 0.18000 6
8177 O13 OA -0.36000 6
8178 CM13 CH3 0.18000 6
8179 C15 C 0.18000 7
8180 O15 OA -0.36000 7
8181 CM15 CH3 0.18000 7
8182 C14 C 0.18000 8
8183 O14 OA -0.36000 8
8184 CM14 CH3 0.18000 8
8185 [ bonds ]
8186 N1 HA1 gb_2
8187 N1 C2 gb_16
8188 N1 C6 gb_16
8189 C2 NA2 gb_8
8190 C2 N3 gb_11
8191 NA2 HA21 gb_2
8192 NA2 HA22 gb_2
8193 N3 C4 gb_11
8194 C4 NA4 gb_8
8195 C4 C5 gb_15
8196 NA4 HA41 gb_2
8197 NA4 HA42 gb_2
8198 C5 C6 gb_15
8199 C5 C7 gb_26
8200 C7 C11 gb_26
8201 C11 C12 gb_15
8202 C11 C16 gb_15
8203 C12 C13 gb_15
8204 C16 C15 gb_15
8205 C13 O13 gb_12
8206 C13 C14 gb_15
8207 O13 CM13 gb_1
8208 C15 O15 gb_12
8209 C15 C14 gb_15
8210 O15 CM15 gb_1
8211 C14 O14 gb_12
8212 O14 CM14 gb_1
8213 [ exclusions ]
8214 ; ai aj
8215 N1 C4
8216 N1 C7
8217 HA1 NA2
8218 HA1 N3
8219 HA1 C5
8220 C2 NA4
8221 C2 C5
8222 NA2 C4
8223 NA2 C6
8224 N3 C6
8225 N3 C7
8226 NA4 C6
8227 NA4 C7
8228 C7 C13
8229 C7 C15
8230 C11 O13
8231 C11 O15
8232 C11 C14
8233 C12 C15
8234 C12 O14
8235 C16 C13
8236 C16 O14
8237 C13 O15
8238 O13 C15
8239 O13 O14
8240 O15 O14
8241 [ angles ]
8242 ; ai aj ak gromos type
8243 HA1 N1 C2 ga_24
8244 HA1 N1 C6 ga_24
8245 C2 N1 C6 ga_26
8246 N1 C2 NA2 ga_26
8247 N1 C2 N3 ga_26
8248 NA2 C2 N3 ga_26
8249 C2 NA2 HA21 ga_22
8250 C2 NA2 HA22 ga_22
8251 HA21 NA2 HA22 ga_23
8252 C2 N3 C4 ga_26
8253 N3 C4 NA4 ga_26
8254 N3 C4 C5 ga_26
8255 NA4 C4 C5 ga_26
8256 C4 NA4 HA41 ga_22
8257 C4 NA4 HA42 ga_22
8258 HA41 NA4 HA42 ga_23
8259 C4 C5 C6 ga_26
8260 C4 C5 C7 ga_26
8261 C6 C5 C7 ga_26
8262 N1 C6 C5 ga_26
8263 C5 C7 C11 ga_14
8264 C7 C11 C12 ga_26
8265 C7 C11 C16 ga_26
8266 C12 C11 C16 ga_26
8267 C11 C12 C13 ga_26
8268 C11 C16 C15 ga_26
8269 C12 C13 O13 ga_26
8270 C12 C13 C14 ga_26
8271 O13 C13 C14 ga_26
8272 C13 O13 CM13 ga_19
8273 C16 C15 O15 ga_26
8274 C16 C15 C14 ga_26
8275 O15 C15 C14 ga_26
8276 C15 O15 CM15 ga_19
8277 C13 C14 C15 ga_26
8278 C13 C14 O14 ga_26
8279 C15 C14 O14 ga_26
8280 C14 O14 CM14 ga_19
8281 [ impropers ]
8282 ; ai aj ak al gromos type
8283 N1 C2 C6 HA1 gi_1
8284 C2 N1 N3 NA2 gi_1
8285 NA2 HA21 HA22 C2 gi_1
8286 C4 N3 C5 NA4 gi_1
8287 NA4 HA41 HA42 C4 gi_1
8288 N1 C2 N3 C4 gi_1
8289 C2 N3 C4 C5 gi_1
8290 N3 C4 C5 C6 gi_1
8291 C4 C5 C6 N1 gi_1
8292 C5 C6 N1 C2 gi_1
8293 C6 N1 C2 N3 gi_1
8294 C5 C4 C6 C7 gi_1
8295 C11 C12 C16 C7 gi_1
8296 C11 C12 C13 C14 gi_1
8297 C11 C16 C15 C14 gi_1
8298 C12 C13 C14 C15 gi_1
8299 C12 C11 C16 C15 gi_1
8300 C16 C15 C14 C13 gi_1
8301 C16 C11 C12 C13 gi_1
8302 C13 C12 O13 C14 gi_1
8303 C15 C16 O15 C14 gi_1
8304 C14 C13 O14 C15 gi_1
8305 [ dihedrals ]
8306 ; ai aj ak al gromos type
8307 N1 C2 NA2 HA21 gd_4
8308 C5 C4 NA4 HA41 gd_4
8309 C4 C5 C7 C11 gd_20
8310 C5 C7 C11 C12 gd_20
8311 C12 C13 O13 CM13 gd_2
8312 C12 C13 O13 CM13 gd_3
8313 C16 C15 O15 CM15 gd_2
8314 C16 C15 O15 CM15 gd_3
8315 C13 C14 O14 CM14 gd_2
8317 [ PDG ]
8318 [ atoms ]
8319 P P 0.63000 0
8320 O1P OM -0.63500 0
8321 O2P OM -0.63500 0
8322 O3P OA -0.54800 0
8323 H3P H 0.39800 0
8324 O4P OA -0.36000 0
8325 C1 CH2 0.15000 0
8326 C2 CH1 0.15000 1
8327 O2 OA -0.54800 1
8328 H2 H 0.39800 1
8329 C3 C 0.27000 2
8330 OT1 OM -0.63500 2
8331 OT2 OM -0.63500 2
8332 [ bonds ]
8333 P O1P gb_23
8334 P O2P gb_23
8335 P O3P gb_27
8336 P O4P gb_27
8337 O3P H3P gb_1
8338 O4P C1 gb_17
8339 C1 C2 gb_26
8340 C2 O2 gb_17
8341 C2 C3 gb_26
8342 O2 H2 gb_1
8343 C3 OT1 gb_5
8344 C3 OT2 gb_5
8345 [ exclusions ]
8346 ; ai aj
8347 O1P H3P
8348 O2P H3P
8349 H3P O4P
8350 [ angles ]
8351 ; ai aj ak gromos type
8352 O1P P O2P ga_28
8353 O1P P O3P ga_13
8354 O1P P O4P ga_13
8355 O2P P O3P ga_13
8356 O2P P O4P ga_13
8357 O3P P O4P ga_4
8358 P O3P H3P ga_11
8359 P O4P C1 ga_25
8360 O4P C1 C2 ga_14
8361 C1 C2 O2 ga_14
8362 C1 C2 C3 ga_12
8363 O2 C2 C3 ga_12
8364 C2 O2 H2 ga_11
8365 C2 C3 OT1 ga_21
8366 C2 C3 OT2 ga_21
8367 OT1 C3 OT2 ga_37
8368 [ impropers ]
8369 ; ai aj ak al gromos type
8370 C2 C1 C3 O2 gi_2
8371 C3 C2 OT2 OT1 gi_1
8372 [ dihedrals ]
8373 ; ai aj ak al gromos type
8374 O4P P O3P H3P gd_11
8375 O4P P O3P H3P gd_9
8376 O3P P O4P C1 gd_11
8377 O3P P O4P C1 gd_9
8378 P O4P C1 C2 gd_14
8379 O4P C1 C2 C3 gd_17
8380 C1 C2 O2 H2 gd_12
8381 C1 C2 C3 OT1 gd_20
8383 [ ATP ]
8384 [ atoms ]
8385 AN9 NR -0.20000 0
8386 AC4 C 0.20000 0
8387 AN3 NR -0.36000 1
8388 AC2 CR1 0.36000 1
8389 AN1 NR -0.36000 2
8390 AC6 C 0.36000 2
8391 AN6 NT -0.83000 3
8392 AH61 H 0.41500 3
8393 AH62 H 0.41500 3
8394 AC5 C 0.00000 4
8395 AN7 NR -0.36000 4
8396 AC8 CR1 0.36000 4
8397 AC1* CH1 0.20000 5
8398 AO4* OA -0.36000 5
8399 AC4* CH1 0.16000 5
8400 AC2* CH1 0.15000 6
8401 AO2* OA -0.54800 6
8402 AH2* H 0.39800 6
8403 AC3* CH1 0.15000 7
8404 AO3* OA -0.54800 7
8405 AH3* H 0.39800 7
8406 AC5* CH2 0.00000 8
8407 AO5* OA -0.36000 9
8408 APA P 0.70500 9
8409 AO1PA OM -0.63500 9
8410 AO2PA OM -0.63500 9
8411 AO3PA OA -0.36000 10
8412 APB P 0.70500 10
8413 AO1PB OM -0.63500 10
8414 AO2PB OM -0.63500 10
8415 AO3PB OA -0.36000 11
8416 APG P 0.63000 11
8417 AO1PG OM -0.63500 11
8418 AO2PG OM -0.63500 11
8419 AO3PG OA -0.54800 11
8420 AH3PG H 0.39800 11
8421 [ bonds ]
8422 AN9 AC4 gb_9
8423 AN9 AC8 gb_9
8424 AN9 AC1* gb_21
8425 AC4 AN3 gb_11
8426 AC4 AC5 gb_15
8427 AN3 AC2 gb_6
8428 AC2 AN1 gb_6
8429 AN1 AC6 gb_11
8430 AC6 AN6 gb_8
8431 AC6 AC5 gb_15
8432 AN6 AH61 gb_2
8433 AN6 AH62 gb_2
8434 AC5 AN7 gb_9
8435 AN7 AC8 gb_9
8436 AC1* AO4* gb_19
8437 AC1* AC2* gb_25
8438 AO4* AC4* gb_19
8439 AC4* AC3* gb_25
8440 AC4* AC5* gb_25
8441 AC2* AO2* gb_19
8442 AC2* AC3* gb_25
8443 AO2* AH2* gb_1
8444 AC3* AO3* gb_19
8445 AO3* AH3* gb_1
8446 AC5* AO5* gb_19
8447 AO5* APA gb_27
8448 APA AO1PA gb_23
8449 APA AO2PA gb_23
8450 APA AO3PA gb_27
8451 AO3PA APB gb_27
8452 APB AO1PB gb_23
8453 APB AO2PB gb_23
8454 APB AO3PB gb_27
8455 AO3PB APG gb_27
8456 APG AO1PG gb_23
8457 APG AO2PG gb_23
8458 APG AO3PG gb_27
8459 AO3PG AH3PG gb_1
8460 [ exclusions ]
8461 ; ai aj
8462 AN9 AC2
8463 AN9 AC6
8464 AC4 AN1
8465 AC4 AN6
8466 AN3 AC6
8467 AN3 AN7
8468 AN3 AC8
8469 AN3 AC1*
8470 AC2 AN6
8471 AC2 AC5
8472 AN1 AN7
8473 AC6 AC8
8474 AC5 AC1*
8475 AN7 AC1*
8476 AO3PB AH3PG
8477 AO1PG AH3PG
8478 AO2PG AH3PG
8479 [ angles ]
8480 ; ai aj ak gromos type
8481 AC4 AN9 AC8 ga_6
8482 AC4 AN9 AC1* ga_36
8483 AC8 AN9 AC1* ga_36
8484 AN9 AC4 AN3 ga_38
8485 AN9 AC4 AC5 ga_6
8486 AN3 AC4 AC5 ga_26
8487 AC4 AN3 AC2 ga_26
8488 AN3 AC2 AN1 ga_26
8489 AC2 AN1 AC6 ga_26
8490 AN1 AC6 AN6 ga_26
8491 AN1 AC6 AC5 ga_26
8492 AN6 AC6 AC5 ga_26
8493 AC6 AN6 AH61 ga_22
8494 AC6 AN6 AH62 ga_22
8495 AH61 AN6 AH62 ga_23
8496 AC4 AC5 AC6 ga_26
8497 AC4 AC5 AN7 ga_6
8498 AC6 AC5 AN7 ga_38
8499 AC5 AN7 AC8 ga_6
8500 AN9 AC8 AN7 ga_6
8501 AN9 AC1* AO4* ga_8
8502 AN9 AC1* AC2* ga_8
8503 AO4* AC1* AC2* ga_8
8504 AC1* AO4* AC4* ga_9
8505 AO4* AC4* AC3* ga_8
8506 AO4* AC4* AC5* ga_8
8507 AC3* AC4* AC5* ga_7
8508 AC1* AC2* AO2* ga_8
8509 AC1* AC2* AC3* ga_7
8510 AO2* AC2* AC3* ga_8
8511 AC2* AO2* AH2* ga_11
8512 AC4* AC3* AC2* ga_7
8513 AC4* AC3* AO3* ga_8
8514 AC2* AC3* AO3* ga_8
8515 AC3* AO3* AH3* ga_11
8516 AC4* AC5* AO5* ga_8
8517 AC5* AO5* APA ga_25
8518 AO5* APA AO1PA ga_13
8519 AO5* APA AO2PA ga_13
8520 AO5* APA AO3PA ga_4
8521 AO1PA APA AO2PA ga_28
8522 AO1PA APA AO3PA ga_13
8523 AO2PA APA AO3PA ga_13
8524 APA AO3PA APB ga_25
8525 AO3PA APB AO1PB ga_13
8526 AO3PA APB AO2PB ga_13
8527 AO3PA APB AO3PB ga_4
8528 AO1PB APB AO2PB ga_28
8529 AO1PB APB AO3PB ga_13
8530 AO2PB APB AO3PB ga_13
8531 APB AO3PB APG ga_25
8532 AO3PB APG AO1PG ga_13
8533 AO3PB APG AO2PG ga_13
8534 AO3PB APG AO3PG ga_4
8535 AO1PG APG AO2PG ga_28
8536 AO1PG APG AO3PG ga_13
8537 AO2PG APG AO3PG ga_13
8538 APG AO3PG AH3PG ga_11
8539 [ impropers ]
8540 ; ai aj ak al gromos type
8541 AN9 AC8 AC4 AC1* gi_1
8542 AC4 AN9 AC8 AN7 gi_1
8543 AC8 AN9 AC4 AC5 gi_1
8544 AN9 AC8 AN7 AC5 gi_1
8545 AN9 AC4 AC5 AN7 gi_1
8546 AC8 AN7 AC5 AC4 gi_1
8547 AC4 AN9 AN3 AC5 gi_1
8548 AC5 AC6 AN7 AC4 gi_1
8549 AN3 AC4 AC5 AC6 gi_1
8550 AC4 AC5 AC6 AN1 gi_1
8551 AC5 AC4 AN3 AC2 gi_1
8552 AC5 AC6 AN1 AC2 gi_1
8553 AC4 AN3 AC2 AN1 gi_1
8554 AN3 AC2 AN1 AC6 gi_1
8555 AC6 AC5 AN1 AN6 gi_1
8556 AN6 AH61 AH62 AC6 gi_1
8557 AC1* AN9 AO4* AC2* gi_2
8558 AC4* AO4* AC5* AC3* gi_2
8559 AC2* AO2* AC3* AC1* gi_2
8560 AC3* AC2* AO3* AC4* gi_2
8561 [ dihedrals ]
8562 ; ai aj ak al gromos type
8563 AC5 AC6 AN6 AH61 gd_4
8564 AO4* AC1* AN9 AC4 gd_6
8565 AC1* AC2* AO2* AH2* gd_12
8566 AC4* AC3* AO3* AH3* gd_12
8567 AC4* AO4* AC1* AC2* gd_14
8568 AC3* AC4* AO4* AC1* gd_14
8569 AC3* AC2* AC1* AO4* gd_17
8570 AC3* AC2* AC1* AO4* gd_7
8571 AO2* AC2* AC1* AN9 gd_7
8572 AO2* AC2* AC1* AO4* gd_8
8573 AC4* AC3* AC2* AC1* gd_17
8574 AO3* AC3* AC2* AC1* gd_7
8575 AC4* AC3* AC2* AO2* gd_7
8576 AO3* AC3* AC2* AO2* gd_8
8577 AC5* AC4* AC3* AC2* gd_17
8578 AC5* AC4* AC3* AO3* gd_7
8579 AO4* AC4* AC3* AC2* gd_7
8580 AO4* AC4* AC3* AO3* gd_8
8581 AO5* AC5* AC4* AC3* gd_17
8582 AO5* AC5* AC4* AC3* gd_7
8583 AO5* AC5* AC4* AO4* gd_8
8584 AC4* AC5* AO5* APA gd_14
8585 AC5* AO5* APA AO3PA gd_11
8586 AC5* AO5* APA AO3PA gd_9
8587 AO5* APA AO3PA APB gd_11
8588 AO5* APA AO3PA APB gd_9
8589 APA AO3PA APB AO3PB gd_11
8590 APA AO3PA APB AO3PB gd_9
8591 AO3PA APB AO3PB APG gd_11
8592 AO3PA APB AO3PB APG gd_9
8593 APB AO3PB APG AO3PG gd_11
8594 APB AO3PB APG AO3PG gd_9
8595 AO3PB APG AO3PG AH3PG gd_11
8596 AO3PB APG AO3PG AH3PG gd_9
8598 [ PMB ]
8599 [ atoms ]
8600 PC8 CH3 0.00000 0
8601 PC5 C 0.00000 0
8602 PC4 CR1 0.00000 0
8603 PC6 CR1 0.00000 0
8604 PC3 CR1 0.00000 1
8605 PC7 CR1 0.00000 1
8606 PC2 C 0.00000 1
8607 PC1 C 0.00000 2
8608 PO OM -0.60000 2
8609 PHC1 HC -0.20000 2
8610 PHC2 HC -0.20000 2
8611 [ bonds ]
8612 PC8 PC5 gb_26
8613 PC5 PC4 gb_15
8614 PC5 PC6 gb_15
8615 PC4 PC3 gb_15
8616 PC6 PC7 gb_15
8617 PC3 PC2 gb_15
8618 PC7 PC2 gb_15
8619 PC2 PC1 gb_26
8620 PC1 PO gb_18
8621 PC1 PHC1 gb_3
8622 PC1 PHC2 gb_3
8623 [ exclusions ]
8624 ; ai aj
8625 PC8 PC3
8626 PC8 PC7
8627 PC5 PC2
8628 PC4 PC7
8629 PC4 PC1
8630 PC6 PC3
8631 PC6 PC1
8632 [ angles ]
8633 ; ai aj ak gromos type
8634 PC8 PC5 PC4 ga_26
8635 PC8 PC5 PC6 ga_26
8636 PC4 PC5 PC6 ga_26
8637 PC5 PC4 PC3 ga_26
8638 PC5 PC6 PC7 ga_26
8639 PC4 PC3 PC2 ga_26
8640 PC6 PC7 PC2 ga_26
8641 PC3 PC2 PC7 ga_26
8642 PC3 PC2 PC1 ga_26
8643 PC7 PC2 PC1 ga_26
8644 PC2 PC1 PO ga_12
8645 PC2 PC1 PHC1 ga_10
8646 PC2 PC1 PHC2 ga_10
8647 PO PC1 PHC1 ga_10
8648 PO PC1 PHC2 ga_10
8649 PHC1 PC1 PHC2 ga_9
8650 [ impropers ]
8651 ; ai aj ak al gromos type
8652 PC5 PC4 PC6 PC8 gi_1
8653 PC6 PC5 PC4 PC3 gi_1
8654 PC4 PC5 PC6 PC7 gi_1
8655 PC5 PC4 PC3 PC2 gi_1
8656 PC5 PC6 PC7 PC2 gi_1
8657 PC4 PC3 PC2 PC7 gi_1
8658 PC6 PC7 PC2 PC3 gi_1
8659 PC2 PC3 PC7 PC1 gi_1
8660 [ dihedrals ]
8661 ; ai aj ak al gromos type
8662 PC3 PC2 PC1 PO gd_20
8664 [ PMBH ]
8665 [ atoms ]
8666 PC8 CH3 0.00000 0
8667 PC5 C 0.00000 0
8668 PC4 CR1 0.00000 0
8669 PC6 CR1 0.00000 0
8670 PC3 CR1 0.00000 1
8671 PC7 CR1 0.00000 1
8672 PC2 C 0.00000 1
8673 PC1 C -0.05000 2
8674 PO OA -0.54800 2
8675 PH H 0.39800 2
8676 PHC1 HC 0.10000 2
8677 PHC2 HC 0.10000 2
8678 [ bonds ]
8679 PC8 PC5 gb_26
8680 PC5 PC4 gb_15
8681 PC5 PC6 gb_15
8682 PC4 PC3 gb_15
8683 PC6 PC7 gb_15
8684 PC3 PC2 gb_15
8685 PC7 PC2 gb_15
8686 PC2 PC1 gb_26
8687 PC1 PO gb_12
8688 PO PH gb_1
8689 PC1 PHC1 gb_3
8690 PC1 PHC2 gb_3
8691 [ exclusions ]
8692 ; ai aj
8693 PC8 PC3
8694 PC8 PC7
8695 PC5 PC2
8696 PC4 PC7
8697 PC4 PC1
8698 PC6 PC3
8699 PC6 PC1
8700 [ angles ]
8701 ; ai aj ak gromos type
8702 PC8 PC5 PC4 ga_26
8703 PC8 PC5 PC6 ga_26
8704 PC4 PC5 PC6 ga_26
8705 PC5 PC4 PC3 ga_26
8706 PC5 PC6 PC7 ga_26
8707 PC4 PC3 PC2 ga_26
8708 PC6 PC7 PC2 ga_26
8709 PC3 PC2 PC7 ga_26
8710 PC3 PC2 PC1 ga_26
8711 PC7 PC2 PC1 ga_26
8712 PC2 PC1 PO ga_12
8713 PC1 PO PH ga_11
8714 PC2 PC1 PHC1 ga_10
8715 PC2 PC1 PHC2 ga_10
8716 PO PC1 PHC1 ga_10
8717 PO PC1 PHC2 ga_10
8718 PHC1 PC1 PHC2 ga_9
8719 [ impropers ]
8720 ; ai aj ak al gromos type
8721 PC5 PC4 PC6 PC8 gi_1
8722 PC6 PC5 PC4 PC3 gi_1
8723 PC4 PC5 PC6 PC7 gi_1
8724 PC5 PC4 PC3 PC2 gi_1
8725 PC5 PC6 PC7 PC2 gi_1
8726 PC4 PC3 PC2 PC7 gi_1
8727 PC6 PC7 PC2 PC3 gi_1
8728 PC2 PC3 PC7 PC1 gi_1
8729 [ dihedrals ]
8730 ; ai aj ak al gromos type
8731 PC3 PC2 PC1 PO gd_20
8732 PC2 PC1 PO PH gd_12
8734 [ BA ]
8735 [ atoms ]
8736 C3 C -0.10000 0
8737 H3 HC 0.10000 0
8738 C2 C -0.10000 1
8739 H2 HC 0.10000 1
8740 C4 C -0.10000 2
8741 H4 HC 0.10000 2
8742 C1 C -0.10000 3
8743 H1 HC 0.10000 3
8744 C5 C -0.10000 4
8745 H5 HC 0.10000 4
8746 C6 C 0.00000 5
8747 C7 C 0.53000 6
8748 O8 O -0.38000 6
8749 O9 OA -0.54800 6
8750 H9 H 0.39800 6
8751 [ bonds ]
8752 C3 H3 gb_3
8753 C3 C2 gb_15
8754 C3 C4 gb_15
8755 C2 H2 gb_3
8756 C2 C1 gb_15
8757 C4 H4 gb_3
8758 C4 C5 gb_15
8759 C1 H1 gb_3
8760 C1 C6 gb_15
8761 C5 H5 gb_3
8762 C5 C6 gb_15
8763 C6 C7 gb_22
8764 C7 O8 gb_4
8765 C7 O9 gb_12
8766 O9 H9 gb_1
8767 [ exclusions ]
8768 ; ai aj
8769 C3 H1
8770 C3 H5
8771 C3 C6
8772 H3 H2
8773 H3 H4
8774 H3 C1
8775 H3 C5
8776 C2 H4
8777 C2 C5
8778 C2 C7
8779 H2 C4
8780 H2 H1
8781 H2 C6
8782 C4 C1
8783 C4 C7
8784 H4 H5
8785 H4 C6
8786 C1 H5
8787 H1 C5
8788 H1 C7
8789 H5 C7
8790 [ angles ]
8791 ; ai aj ak gromos type
8792 H3 C3 C2 ga_24
8793 H3 C3 C4 ga_24
8794 C2 C3 C4 ga_26
8795 C3 C2 H2 ga_24
8796 C3 C2 C1 ga_26
8797 H2 C2 C1 ga_24
8798 C3 C4 H4 ga_24
8799 C3 C4 C5 ga_26
8800 H4 C4 C5 ga_24
8801 C2 C1 H1 ga_24
8802 C2 C1 C6 ga_26
8803 H1 C1 C6 ga_24
8804 C4 C5 H5 ga_24
8805 C4 C5 C6 ga_26
8806 H5 C5 C6 ga_24
8807 C1 C6 C5 ga_26
8808 C1 C6 C7 ga_26
8809 C5 C6 C7 ga_26
8810 C6 C7 O8 ga_29
8811 C6 C7 O9 ga_18
8812 O8 C7 O9 ga_32
8813 C7 O9 H9 ga_11
8814 [ impropers ]
8815 ; ai aj ak al gromos type
8816 C3 C2 C4 H3 gi_1
8817 C2 C1 C3 H2 gi_1
8818 C4 C5 C3 H4 gi_1
8819 C1 C2 C6 H1 gi_1
8820 C5 C4 C6 H5 gi_1
8821 C3 C2 C1 C6 gi_1
8822 C3 C4 C5 C6 gi_1
8823 C2 C3 C4 C5 gi_1
8824 C4 C3 C2 C1 gi_1
8825 C2 C1 C6 C5 gi_1
8826 C4 C5 C6 C1 gi_1
8827 C6 C1 C5 C7 gi_1
8828 C7 O8 O9 C6 gi_1
8829 [ dihedrals ]
8830 ; ai aj ak al gromos type
8831 C1 C6 C7 O9 gd_1
8832 C6 C7 O9 H9 gd_3
8834 [ RTOL ]
8835 [ atoms ]
8836 C18 CH3 0.00000 0
8837 C17 CH3 0.00000 0
8838 C1 C 0.00000 0
8839 C2 CH2 0.00000 1
8840 C3 CH2 0.00000 1
8841 C4 CH2 0.00000 1
8842 C5 C 0.00000 2
8843 C16 CH3 0.00000 2
8844 C6 C 0.00000 2
8845 C7 CR1 0.00000 3
8846 C8 CR1 0.00000 3
8847 C9 C 0.00000 4
8848 C19 CH3 0.00000 4
8849 C10 CR1 0.00000 4
8850 C11 CR1 0.00000 5
8851 C12 CR1 0.00000 5
8852 C13 C 0.00000 6
8853 C20 CH3 0.00000 6
8854 C14 CR1 0.00000 6
8855 C15 CH2 0.15000 7
8856 O21 OA -0.54800 7
8857 H21 H 0.39800 7
8858 [ bonds ]
8859 C18 C1 gb_26
8860 C17 C1 gb_26
8861 C1 C2 gb_26
8862 C1 C6 gb_26
8863 C2 C3 gb_26
8864 C3 C4 gb_26
8865 C4 C5 gb_26
8866 C5 C16 gb_26
8867 C5 C6 gb_9
8868 C6 C7 gb_22
8869 C7 C8 gb_12
8870 C8 C9 gb_22
8871 C9 C19 gb_26
8872 C9 C10 gb_12
8873 C10 C11 gb_22
8874 C11 C12 gb_12
8875 C12 C13 gb_22
8876 C13 C20 gb_26
8877 C13 C14 gb_12
8878 C14 C15 gb_22
8879 C15 O21 gb_17
8880 O21 H21 gb_1
8881 [ angles ]
8882 ; ai aj ak gromos type
8883 C18 C1 C17 ga_12
8884 C18 C1 C2 ga_12
8885 C18 C1 C6 ga_12
8886 C17 C1 C2 ga_12
8887 C17 C1 C6 ga_12
8888 C2 C1 C6 ga_12
8889 C1 C2 C3 ga_12
8890 C2 C3 C4 ga_12
8891 C3 C4 C5 ga_12
8892 C4 C5 C16 ga_26
8893 C4 C5 C6 ga_26
8894 C16 C5 C6 ga_26
8895 C1 C6 C5 ga_26
8896 C1 C6 C7 ga_26
8897 C5 C6 C7 ga_26
8898 C6 C7 C8 ga_26
8899 C7 C8 C9 ga_26
8900 C8 C9 C19 ga_26
8901 C8 C9 C10 ga_26
8902 C19 C9 C10 ga_26
8903 C9 C10 C11 ga_26
8904 C10 C11 C12 ga_26
8905 C11 C12 C13 ga_26
8906 C12 C13 C20 ga_26
8907 C12 C13 C14 ga_26
8908 C20 C13 C14 ga_26
8909 C13 C14 C15 ga_26
8910 C14 C15 O21 ga_12
8911 C15 O21 H21 ga_11
8912 [ impropers ]
8913 ; ai aj ak al gromos type
8914 C5 C4 C6 C16 gi_1
8915 C6 C1 C7 C5 gi_1
8916 C9 C8 C10 C19 gi_1
8917 C13 C12 C14 C20 gi_1
8918 [ dihedrals ]
8919 ; ai aj ak al gromos type
8920 C1 C2 C3 C4 gd_17
8921 C6 C1 C2 C3 gd_17
8922 C2 C3 C4 C5 gd_17
8923 C2 C1 C6 C5 gd_17
8924 C3 C4 C5 C6 gd_17
8925 C4 C5 C6 C1 gd_4
8926 C5 C6 C7 C8 gd_17
8927 C6 C7 C8 C9 gd_4
8928 C7 C8 C9 C10 gd_3
8929 C8 C9 C10 C11 gd_4
8930 C9 C10 C11 C12 gd_3
8931 C10 C11 C12 C13 gd_4
8932 C11 C12 C13 C14 gd_3
8933 C12 C13 C14 C15 gd_4
8934 C13 C14 C15 O21 gd_20
8935 C14 C15 O21 H21 gd_12
8937 [ TEMP ]
8938 [ atoms ]
8939 O1 O -0.20000 0
8940 N1 NR -0.03600 0
8941 C1 C 0.11800 0
8942 C4 C 0.11800 0
8943 CA C 0.00000 1
8944 C3 CR1 0.00000 1
8945 C6 CH3 0.00000 2
8946 C7 CH3 0.00000 3
8947 C8 CH3 0.00000 4
8948 C9 CH3 0.00000 5
8949 C5 C 0.38000 6
8950 O5 O -0.38000 6
8951 [ bonds ]
8952 O1 N1 gb_5
8953 N1 C1 gb_21
8954 N1 C4 gb_21
8955 C1 CA gb_24
8956 C1 C6 gb_25
8957 C1 C7 gb_25
8958 C4 C3 gb_24
8959 C4 C8 gb_25
8960 C4 C9 gb_25
8961 CA C3 gb_6
8962 CA C5 gb_22
8963 C5 O5 gb_4
8964 C5 +N gb_9
8965 [ exclusions ]
8966 ; ai aj
8967 O1 CA
8968 O1 C3
8969 O1 C6
8970 O1 C7
8971 O1 C8
8972 O1 C9
8973 N1 C5
8974 C1 C8
8975 C1 C9
8976 C4 C6
8977 C4 C7
8978 C4 C5
8979 CA C8
8980 CA C9
8981 C3 C6
8982 C3 C7
8983 C6 C5
8984 C7 C5
8985 [ angles ]
8986 ; ai aj ak gromos type
8987 O1 N1 C1 ga_30
8988 O1 N1 C4 ga_30
8989 C1 N1 C4 ga_18
8990 N1 C1 CA ga_2
8991 N1 C1 C6 ga_12
8992 N1 C1 C7 ga_12
8993 CA C1 C6 ga_15
8994 CA C1 C7 ga_15
8995 C6 C1 C7 ga_14
8996 C1 CA C3 ga_15
8997 C1 CA C5 ga_30
8998 C3 CA C5 ga_34
8999 CA C3 C4 ga_15
9000 N1 C4 C3 ga_2
9001 N1 C4 C8 ga_12
9002 N1 C4 C9 ga_12
9003 C3 C4 C8 ga_15
9004 C3 C4 C9 ga_15
9005 C8 C4 C9 ga_14
9006 CA C5 O5 ga_29
9007 CA C5 +N ga_18
9008 O5 C5 +N ga_32
9009 [ impropers ]
9010 ; ai aj ak al gromos type
9011 N1 C1 C4 O1 gi_1
9012 N1 C1 CA C3 gi_1
9013 C1 CA C3 C4 gi_1
9014 CA C3 C4 N1 gi_1
9015 C3 C4 N1 C1 gi_1
9016 C4 N1 C1 CA gi_1
9017 CA C1 C3 C5 gi_1
9018 C5 CA +N O5 gi_1
9019 [ dihedrals ]
9020 ; ai aj ak al gromos type
9021 C3 CA C5 +N gd_4
9023 [ ETH ]
9024 [ atoms ]
9025 EO OM -0.60000 0
9026 EC1 CH2 -0.40000 0
9027 EC2 CH3 0.00000 0
9028 [ bonds ]
9029 EO EC1 gb_18
9030 EC1 EC2 gb_26
9031 [ angles ]
9032 ; ai aj ak gromos type
9033 EO EC1 EC2 ga_12
9034 [ impropers ]
9035 ; ai aj ak al gromos type
9036 [ dihedrals ]
9037 ; ai aj ak al gromos type
9039 [ ETHH ]
9040 [ atoms ]
9041 EH H 0.39800 0
9042 EO OA -0.54800 0
9043 EC1 CH2 0.15000 0
9044 EC2 CH3 0.00000 1
9045 [ bonds ]
9046 EH EO gb_1
9047 EO EC1 gb_17
9048 EC1 EC2 gb_26
9049 [ angles ]
9050 ; ai aj ak gromos type
9051 EH EO EC1 ga_11
9052 EO EC1 EC2 ga_14
9053 [ impropers ]
9054 ; ai aj ak al gromos type
9055 [ dihedrals ]
9056 ; ai aj ak al gromos type
9057 EH EO EC1 EC2 gd_12
9059 [ CH4 ]
9060 [ atoms ]
9061 CM CH4 0.00000 0
9062 [ bonds ]
9063 [ angles ]
9064 ; ai aj ak gromos type
9065 [ impropers ]
9066 ; ai aj ak al gromos type
9067 [ dihedrals ]
9068 ; ai aj ak al gromos type
9070 [ AR ]
9071 [ atoms ]
9072 AR AR 0.00000 0
9073 [ bonds ]
9074 [ angles ]
9075 ; ai aj ak gromos type
9076 [ impropers ]
9077 ; ai aj ak al gromos type
9078 [ dihedrals ]
9079 ; ai aj ak al gromos type
9081 [ SO42- ]
9082 [ atoms ]
9083 S S 0.540 0
9084 O1 OM -0.635 0
9085 O2 OM -0.635 0
9086 O3 OM -0.635 0
9087 O4 OM -0.635 0
9088 [ bonds ]
9089 S O1 gb_24
9090 S O2 gb_24
9091 S O3 gb_24
9092 S O4 gb_24
9093 [ angles ]
9094 ; ai aj ak gromos type
9095 O1 S O2 ga_12
9096 O1 S O3 ga_12
9097 O1 S O4 ga_12
9098 O2 S O3 ga_12
9099 O2 S O4 ga_12
9100 O3 S O4 ga_12
9101 [ impropers ]
9102 ; ai aj ak al gromos type
9103 [ dihedrals ]
9104 ; ai aj ak al gromos type
9106 [ ZN2+ ]
9107 [ atoms ]
9108 ZN ZN2+ 2.00000 0
9109 [ bonds ]
9110 [ angles ]
9111 ; ai aj ak gromos type
9112 [ impropers ]
9113 ; ai aj ak al gromos type
9114 [ dihedrals ]
9115 ; ai aj ak al gromos type
9117 [ NA+ ]
9118 [ atoms ]
9119 NA NA+ 1.00000 0
9120 [ bonds ]
9121 [ angles ]
9122 ; ai aj ak gromos type
9123 [ impropers ]
9124 ; ai aj ak al gromos type
9125 [ dihedrals ]
9126 ; ai aj ak al gromos type
9128 [ CL- ]
9129 [ atoms ]
9130 CL CL- -1.00000 0
9131 [ bonds ]
9132 [ angles ]
9133 ; ai aj ak gromos type
9134 [ impropers ]
9135 ; ai aj ak al gromos type
9136 [ dihedrals ]
9137 ; ai aj ak al gromos type
9139 [ CA2+ ]
9140 [ atoms ]
9141 CA CA2+ 2.00000 0
9142 [ bonds ]
9143 [ angles ]
9144 ; ai aj ak gromos type
9145 [ impropers ]
9146 ; ai aj ak al gromos type
9147 [ dihedrals ]
9148 ; ai aj ak al gromos type
9150 [ MG2+ ]
9151 [ atoms ]
9152 MG MG2+ 2.00000 0
9153 [ bonds ]
9154 [ angles ]
9155 ; ai aj ak gromos type
9156 [ impropers ]
9157 ; ai aj ak al gromos type
9158 [ dihedrals ]
9159 ; ai aj ak al gromos type
9161 [ CU1+ ]
9162 [ atoms ]
9163 CU CU1+ 1.00000 0
9164 [ bonds ]
9165 [ angles ]
9166 ; ai aj ak gromos type
9167 [ impropers ]
9168 ; ai aj ak al gromos type
9169 [ dihedrals ]
9170 ; ai aj ak al gromos type
9172 [ CU2+ ]
9173 [ atoms ]
9174 CU CU2+ 2.00000 0
9175 [ bonds ]
9176 [ angles ]
9177 ; ai aj ak gromos type
9178 [ impropers ]
9179 ; ai aj ak al gromos type
9180 [ dihedrals ]
9181 ; ai aj ak al gromos type
9183 [ H2O ]
9184 [ atoms ]
9185 OW OW -0.82000 0
9186 HW1 H 0.41000 0
9187 HW2 H 0.41000 0
9188 [ bonds ]
9189 OW HW1 gb_35
9190 OW HW2 gb_35
9191 HW1 HW2 gb_41
9192 [ angles ]
9193 ; ai aj ak gromos type
9194 [ impropers ]
9195 ; ai aj ak al gromos type
9196 [ dihedrals ]
9197 ; ai aj ak al gromos type
9199 [ HOH ]
9200 [ atoms ]
9201 OW OW -0.82000 0
9202 HW1 H 0.41000 0
9203 HW2 H 0.41000 0
9204 [ bonds ]
9205 OW HW1 gb_35
9206 OW HW2 gb_35
9207 HW1 HW2 gb_41
9208 [ angles ]
9209 ; ai aj ak gromos type
9210 [ impropers ]
9211 ; ai aj ak al gromos type
9212 [ dihedrals ]
9213 ; ai aj ak al gromos type
9215 [ HO4 ]
9216 [ atoms ]
9217 OW OWT4 0.0 0
9218 HW1 H 0.52 0
9219 HW2 H 0.52 0
9220 HW3 IW -1.04 0
9221 [ bonds ]
9222 OW HW1 gb_35
9223 OW HW2 gb_35
9224 OW HW3 gb_35
9225 [ angles ]
9226 ; ai aj ak gromos type
9227 [ impropers ]
9228 ; ai aj ak al gromos type
9229 [ dihedrals ]
9230 ; ai aj ak al gromos type
9232 [ H2OE ]
9233 [ atoms ]
9234 OW OW -0.84760 0
9235 HW1 H 0.42380 0
9236 HW2 H 0.42380 0
9237 [ bonds ]
9238 OW HW1 gb_35
9239 OW HW2 gb_35
9240 HW1 HW2 gb_41
9241 [ angles ]
9242 ; ai aj ak gromos type
9243 [ impropers ]
9244 ; ai aj ak al gromos type
9245 [ dihedrals ]
9246 ; ai aj ak al gromos type
9248 [ CHCL3 ]
9249 [ atoms ]
9250 CChl CCHL 0.17900 0
9251 HChl HCHL 0.08200 0
9252 CLCh1 CLCHL -0.08700 0
9253 CLCh2 CLCHL -0.08700 0
9254 CLCh3 CLCHL -0.08700 0
9255 [ bonds ]
9256 CChl CLCh1 gb_37
9257 CChl CLCh2 gb_37
9258 CChl CLCh3 gb_37
9259 HChl CLCh1 gb_42
9260 HChl CLCh2 gb_42
9261 HChl CLCh3 gb_42
9262 CLCh1 CLCh2 gb_43
9263 CLCh1 CLCh3 gb_43
9264 CLCh2 CLCh3 gb_43
9265 [ angles ]
9266 ; ai aj ak gromos type
9267 [ impropers ]
9268 ; ai aj ak al gromos type
9269 [ dihedrals ]
9270 ; ai aj ak al gromos type
9272 [ DMSO ]
9273 [ atoms ]
9274 SDmso SDMSO 0.13900 0
9275 ODmso ODMSO -0.45900 0
9276 CDms1 CDMSO 0.16000 0
9277 CDms2 CDMSO 0.16000 0
9278 [ bonds ]
9279 SDmso ODmso gb_38
9280 SDmso CDms1 gb_39
9281 SDmso CDms2 gb_39
9282 ODmso CDms1 gb_44
9283 ODmso CDms2 gb_44
9284 CDms1 CDms2 gb_45
9285 [ angles ]
9286 ; ai aj ak gromos type
9287 [ impropers ]
9288 ; ai aj ak al gromos type
9289 [ dihedrals ]
9290 ; ai aj ak al gromos type
9292 [ CH3OH ]
9293 [ atoms ]
9294 Omet OMET -0.57400 0
9295 HMet H 0.39800 0
9296 CMet CMET 0.17600 0
9297 [ bonds ]
9298 Omet HMet gb_1
9299 Omet CMet gb_17
9300 HMet CMet gb_46
9301 [ angles ]
9302 ; ai aj ak gromos type
9303 [ impropers ]
9304 ; ai aj ak al gromos type
9305 [ dihedrals ]
9306 ; ai aj ak al gromos type
9308 [ CCL4 ]
9309 [ atoms ]
9310 CCl4 CCL4 0.00000 0
9311 CLCl1 CLCL4 0.00000 0
9312 CLCl2 CLCL4 0.00000 0
9313 CLCl3 CLCL4 0.00000 0
9314 CLCl4 CLCL4 0.00000 0
9315 [ bonds ]
9316 CCl4 CLCl1 gb_40
9317 CCl4 CLCl2 gb_40
9318 CCl4 CLCl3 gb_40
9319 CCl4 CLCl4 gb_40
9320 CLCl1 CLCl2 gb_47
9321 CLCl1 CLCl3 gb_47
9322 CLCl1 CLCl4 gb_47
9323 CLCl2 CLCl3 gb_47
9324 CLCl2 CLCl4 gb_47
9325 [ angles ]
9326 ; ai aj ak gromos type
9327 [ impropers ]
9328 ; ai aj ak al gromos type
9329 [ dihedrals ]
9330 ; ai aj ak al gromos type