| blob | 0a16e92db94684260e9cb290bd38c35289ee6f8f |
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
13 [ ACE ]
14 [ atoms ]
15 CA CH3 0.000 0
16 C C 0.380 1
17 O O -0.380 1
18 [ bonds ]
19 C CA gb_26
20 C O gb_4
21 C +N gb_9
22 [ angles ]
23 CA C +N ga_18
24 O C +N ga_32
25 [ impropers ]
26 C CA +N O gi_1
28 [ NH2 ]
29 [ atoms ]
30 N NT -0.83 0
31 H1 H 0.415 0
32 H2 H 0.415 0
33 [ bonds ]
34 N H1 gb_2
35 N H2 gb_2
36 -C N gb_8
37 [ angles ]
38 -O -C N ga_32
39 -CA -C N ga_18
40 -C N H1 ga_22
41 -C N H2 ga_22
42 H1 N H2 ga_23
43 [ dihedrals ]
44 -CA -C N H1 gd_4
45 [ impropers ]
46 -C -O N -CA gi_1
47 N H1 H2 -C gi_1
49 [ ALA ]
50 [ atoms ]
51 N N -0.28000 0
52 H H 0.28000 0
53 CA CH1 0.00000 1
54 CB CH3 0.00000 1
55 C C 0.380 2
56 O O -0.380 2
57 [ bonds ]
58 N H gb_2
59 N CA gb_20
60 CA C gb_26
61 C O gb_4
62 C +N gb_9
63 CA CB gb_26
64 [ angles ]
65 ; ai aj ak gromos type
66 -C N H ga_31
67 H N CA ga_17
68 -C N CA ga_30
69 N CA C ga_12
70 CA C +N ga_18
71 CA C O ga_29
72 O C +N ga_32
73 N CA CB ga_12
74 C CA CB ga_12
75 [ impropers ]
76 ; ai aj ak al gromos type
77 N -C CA H gi_1
78 C CA +N O gi_1
79 CA N C CB gi_2
80 [ dihedrals ]
81 ; ai aj ak al gromos type
82 -CA -C N CA gd_4
83 -C N CA C gd_19
84 N CA C +N gd_20
86 [ ARG ]
87 [ atoms ]
88 N N -0.28000 0
89 H H 0.28000 0
90 CA CH1 0.00000 1
91 CB CH2 0.00000 1
92 CG CH2 0.00000 1
93 CD CH2 0.09000 2
94 NE NE -0.11000 2
95 HE H 0.24000 2
96 CZ C 0.34000 2
97 NH1 NZ -0.26000 2
98 HH11 H 0.24000 2
99 HH12 H 0.24000 2
100 NH2 NZ -0.26000 2
101 HH21 H 0.24000 2
102 HH22 H 0.24000 2
103 C C 0.380 3
104 O O -0.380 3
105 [ bonds ]
106 N H gb_2
107 N CA gb_20
108 CA C gb_26
109 C O gb_4
110 C +N gb_9
111 CA CB gb_26
112 CB CG gb_26
113 CG CD gb_26
114 CD NE gb_20
115 NE HE gb_2
116 NE CZ gb_10
117 CZ NH1 gb_10
118 CZ NH2 gb_10
119 NH1 HH11 gb_2
120 NH1 HH12 gb_2
121 NH2 HH21 gb_2
122 NH2 HH22 gb_2
123 [ angles ]
124 ; ai aj ak gromos type
125 -C N H ga_31
126 H N CA ga_17
127 -C N CA ga_30
128 N CA C ga_12
129 CA C +N ga_18
130 CA C O ga_29
131 O C +N ga_32
132 N CA CB ga_12
133 C CA CB ga_12
134 CA CB CG ga_14
135 CB CG CD ga_14
136 CG CD NE ga_12
137 CD NE HE ga_19
138 HE NE CZ ga_22
139 CD NE CZ ga_32
140 NE CZ NH1 ga_27
141 NE CZ NH2 ga_27
142 NH1 CZ NH2 ga_27
143 CZ NH1 HH11 ga_22
144 CZ NH1 HH12 ga_22
145 HH11 NH1 HH12 ga_23
146 CZ NH2 HH21 ga_22
147 CZ NH2 HH22 ga_22
148 HH21 NH2 HH22 ga_23
149 [ impropers ]
150 ; ai aj ak al gromos type
151 N -C CA H gi_1
152 C CA +N O gi_1
153 CA N C CB gi_2
154 NE CD CZ HE gi_1
155 CZ NH1 NH2 NE gi_1
156 NH1 HH11 HH12 CZ gi_1
157 NH2 HH21 HH22 CZ gi_1
158 [ dihedrals ]
159 ; ai aj ak al gromos type
160 -CA -C N CA gd_4
161 -C N CA C gd_19
162 N CA C +N gd_20
163 N CA CB CG gd_17
164 CA CB CG CD gd_17
165 CB CG CD NE gd_17
166 CG CD NE CZ gd_19
167 CD NE CZ NH1 gd_4
168 NE CZ NH1 HH11 gd_4
169 NE CZ NH2 HH21 gd_4
171 [ ARGN ]
172 [ atoms ]
173 N N -0.28000 0
174 H H 0.28000 0
175 CA CH1 0.00000 1
176 CB CH2 0.00000 1
177 CG CH2 0.00000 2
178 CD CH2 0.00000 2
179 NE NE -0.28000 3
180 HE H 0.28000 3
181 CZ C 0.15000 4
182 NH1 NE -0.54800 4
183 HH1 H 0.39800 4
184 NH2 NZ -0.83000 5
185 HH21 H 0.41500 5
186 HH22 H 0.41500 5
187 C C 0.380 6
188 O O -0.380 6
189 [ bonds ]
190 N H gb_2
191 N CA gb_20
192 CA C gb_26
193 C O gb_4
194 C +N gb_9
195 CA CB gb_26
196 CB CG gb_26
197 CG CD gb_26
198 CD NE gb_20
199 NE HE gb_2
200 NE CZ gb_10
201 CZ NH1 gb_10
202 CZ NH2 gb_10
203 NH1 HH1 gb_2
204 NH2 HH21 gb_2
205 NH2 HH22 gb_2
206 [ angles ]
207 ; ai aj ak gromos type
208 -C N H ga_31
209 H N CA ga_17
210 -C N CA ga_30
211 N CA C ga_12
212 CA C +N ga_18
213 CA C O ga_29
214 O C +N ga_32
215 N CA CB ga_12
216 C CA CB ga_12
217 CA CB CG ga_14
218 CB CG CD ga_14
219 CG CD NE ga_12
220 CD NE HE ga_19
221 HE NE CZ ga_22
222 CD NE CZ ga_32
223 NE CZ NH1 ga_27
224 NE CZ NH2 ga_27
225 NH1 CZ NH2 ga_27
226 CZ NH1 HH1 ga_22
227 CZ NH2 HH21 ga_22
228 CZ NH2 HH22 ga_22
229 HH21 NH2 HH22 ga_23
230 [ impropers ]
231 ; ai aj ak al gromos type
232 N -C CA H gi_1
233 C CA +N O gi_1
234 CA N C CB gi_2
235 NE CD CZ HE gi_1
236 CZ NH1 NH2 NE gi_1
237 NH2 HH21 HH22 CZ gi_1
238 [ dihedrals ]
239 ; ai aj ak al gromos type
240 -CA -C N CA gd_4
241 -C N CA C gd_19
242 N CA C +N gd_20
243 N CA CB CG gd_17
244 CA CB CG CD gd_17
245 CB CG CD NE gd_17
246 CG CD NE CZ gd_19
247 CD NE CZ NH1 gd_4
248 NE CZ NH1 HH1 gd_4
249 NE CZ NH2 HH21 gd_4
251 [ ASN ]
252 [ atoms ]
253 N N -0.28000 0
254 H H 0.28000 0
255 CA CH1 0.00000 1
256 CB CH2 0.00000 1
257 CG C 0.38000 2
258 OD1 O -0.38000 2
259 ND2 NT -0.83000 3
260 HD21 H 0.41500 3
261 HD22 H 0.41500 3
262 C C 0.380 4
263 O O -0.380 4
264 [ bonds ]
265 N H gb_2
266 N CA gb_20
267 CA C gb_26
268 C O gb_4
269 C +N gb_9
270 CA CB gb_26
271 CB CG gb_26
272 CG OD1 gb_4
273 CG ND2 gb_8
274 ND2 HD21 gb_2
275 ND2 HD22 gb_2
276 [ angles ]
277 ; ai aj ak gromos type
278 -C N H ga_31
279 H N CA ga_17
280 -C N CA ga_30
281 N CA C ga_12
282 CA C +N ga_18
283 CA C O ga_29
284 O C +N ga_32
285 N CA CB ga_12
286 C CA CB ga_12
287 CA CB CG ga_14
288 CB CG OD1 ga_29
289 CB CG ND2 ga_18
290 OD1 CG ND2 ga_32
291 CG ND2 HD21 ga_22
292 CG ND2 HD22 ga_22
293 HD21 ND2 HD22 ga_23
294 [ impropers ]
295 ; ai aj ak al gromos type
296 N -C CA H gi_1
297 C CA +N O gi_1
298 CA N C CB gi_2
299 CG OD1 ND2 CB gi_1
300 ND2 HD21 HD22 CG gi_1
301 [ dihedrals ]
302 ; ai aj ak al gromos type
303 -CA -C N CA gd_4
304 -C N CA C gd_19
305 N CA C +N gd_20
306 N CA CB CG gd_17
307 CA CB CG ND2 gd_20
308 CB CG ND2 HD21 gd_4
310 [ ASN1 ]
311 [ atoms ]
312 N N -0.28000 0
313 H H 0.28000 0
314 CA CH1 0.00000 1
315 CB CH2 0.00000 1
316 CG C 0.38000 2
317 OD1 O -0.38000 2
318 ND2 NL -0.83000 3
319 HD21 H 0.41500 3
320 HD22 H 0.41500 3
321 C C 0.380 4
322 O O -0.380 4
323 [ bonds ]
324 N H gb_2
325 N CA gb_20
326 CA C gb_26
327 C O gb_4
328 C +N gb_9
329 CA CB gb_26
330 CB CG gb_26
331 CG OD1 gb_4
332 CG ND2 gb_8
333 ND2 HD21 gb_2
334 ND2 HD22 gb_2
335 [ angles ]
336 ; ai aj ak gromos type
337 -C N H ga_31
338 H N CA ga_17
339 -C N CA ga_30
340 N CA C ga_12
341 CA C +N ga_18
342 CA C O ga_29
343 O C +N ga_32
344 N CA CB ga_12
345 C CA CB ga_12
346 CA CB CG ga_14
347 CB CG OD1 ga_29
348 CB CG ND2 ga_18
349 OD1 CG ND2 ga_32
350 CG ND2 HD21 ga_22
351 CG ND2 HD22 ga_22
352 HD21 ND2 HD22 ga_23
353 [ impropers ]
354 ; ai aj ak al gromos type
355 N -C CA H gi_1
356 C CA +N O gi_1
357 CA N C CB gi_2
358 CG OD1 ND2 CB gi_1
359 ND2 HD21 HD22 CG gi_1
360 [ dihedrals ]
361 ; ai aj ak al gromos type
362 -CA -C N CA gd_4
363 -C N CA C gd_19
364 N CA C +N gd_20
365 N CA CB CG gd_17
366 CA CB CG ND2 gd_20
367 CB CG ND2 HD21 gd_4
369 [ ASP ]
370 [ atoms ]
371 N N -0.28000 0
372 H H 0.28000 0
373 CA CH1 0.00000 1
374 CB CH2 0.00000 1
375 CG C 0.27000 2
376 OD1 OM -0.63500 2
377 OD2 OM -0.63500 2
378 C C 0.380 3
379 O O -0.380 3
380 [ bonds ]
381 N H gb_2
382 N CA gb_20
383 CA C gb_26
384 C O gb_4
385 C +N gb_9
386 CA CB gb_26
387 CB CG gb_26
388 CG OD1 gb_5
389 CG OD2 gb_5
390 [ angles ]
391 ; ai aj ak gromos type
392 -C N H ga_31
393 H N CA ga_17
394 -C N CA ga_30
395 N CA C ga_12
396 CA C +N ga_18
397 CA C O ga_29
398 O C +N ga_32
399 N CA CB ga_12
400 C CA CB ga_12
401 CA CB CG ga_14
402 CB CG OD1 ga_21
403 CB CG OD2 ga_21
404 OD1 CG OD2 ga_37
405 [ impropers ]
406 ; ai aj ak al gromos type
407 N -C CA H gi_1
408 C CA +N O gi_1
409 CA N C CB gi_2
410 CG OD1 OD2 CB gi_1
411 [ dihedrals ]
412 ; ai aj ak al gromos type
413 -CA -C N CA gd_4
414 -C N CA C gd_19
415 N CA C +N gd_20
416 N CA CB CG gd_17
417 CA CB CG OD1 gd_20
419 [ ASPH ]
420 [ atoms ]
421 N N -0.28000 0
422 H H 0.28000 0
423 CA CH1 0.00000 1
424 CB CH2 0.00000 1
425 CG C 0.53000 2
426 OD1 O -0.38000 2
427 OD2 OA -0.54800 2
428 HD2 H 0.39800 2
429 C C 0.380 3
430 O O -0.380 3
431 [ bonds ]
432 N H gb_2
433 N CA gb_20
434 CA C gb_26
435 C O gb_4
436 C +N gb_9
437 CA CB gb_26
438 CB CG gb_26
439 CG OD1 gb_4
440 CG OD2 gb_12
441 OD2 HD2 gb_1
442 [ angles ]
443 ; ai aj ak gromos type
444 -C N H ga_31
445 H N CA ga_17
446 -C N CA ga_30
447 N CA C ga_12
448 CA C +N ga_18
449 CA C O ga_29
450 O C +N ga_32
451 N CA CB ga_12
452 C CA CB ga_12
453 CA CB CG ga_14
454 CB CG OD1 ga_29
455 CB CG OD2 ga_18
456 OD1 CG OD2 ga_32
457 CG OD2 HD2 ga_11
458 [ impropers ]
459 ; ai aj ak al gromos type
460 N -C CA H gi_1
461 C CA +N O gi_1
462 CA N C CB gi_2
463 CG OD1 OD2 CB gi_1
464 [ dihedrals ]
465 ; ai aj ak al gromos type
466 -CA -C N CA gd_4
467 -C N CA C gd_19
468 N CA C +N gd_20
469 N CA CB CG gd_17
470 CA CB CG OD2 gd_20
471 CB CG OD2 HD2 gd_3
473 [ CYS ]
474 [ atoms ]
475 N N -0.28000 0
476 H H 0.28000 0
477 CA CH1 0.00000 1
478 CB CH2 -0.10000 2
479 SG S -0.40000 2
480 C C 0.380 3
481 O O -0.380 3
482 [ bonds ]
483 N H gb_2
484 N CA gb_20
485 CA C gb_26
486 C O gb_4
487 C +N gb_9
488 CA CB gb_26
489 CB SG gb_30
490 [ angles ]
491 ; ai aj ak gromos type
492 -C N H ga_31
493 H N CA ga_17
494 -C N CA ga_30
495 N CA C ga_12
496 CA C +N ga_18
497 CA C O ga_29
498 O C +N ga_32
499 N CA CB ga_12
500 C CA CB ga_12
501 CA CB SG ga_15
502 [ impropers ]
503 ; ai aj ak al gromos type
504 N -C CA H gi_1
505 C CA +N O gi_1
506 CA N C CB gi_2
507 [ dihedrals ]
508 ; ai aj ak al gromos type
509 -CA -C N CA gd_4
510 -C N CA C gd_19
511 N CA C +N gd_20
512 N CA CB SG gd_17
514 [ CYSH ]
515 [ atoms ]
516 N N -0.28000 0
517 H H 0.28000 0
518 CA CH1 0.00000 1
519 CB CH2 0.00000 1
520 SG S -0.06400 2
521 HG H 0.06400 2
522 C C 0.380 3
523 O O -0.380 3
524 [ bonds ]
525 N H gb_2
526 N CA gb_20
527 CA C gb_26
528 C O gb_4
529 C +N gb_9
530 CA CB gb_26
531 CB SG gb_30
532 SG HG gb_7
533 [ angles ]
534 ; ai aj ak gromos type
535 -C N H ga_31
536 H N CA ga_17
537 -C N CA ga_30
538 N CA C ga_12
539 CA C +N ga_18
540 CA C O ga_29
541 O C +N ga_32
542 N CA CB ga_12
543 C CA CB ga_12
544 CA CB SG ga_15
545 CB SG HG ga_2
546 [ impropers ]
547 ; ai aj ak al gromos type
548 N -C CA H gi_1
549 C CA +N O gi_1
550 CA N C CB gi_2
551 [ dihedrals ]
552 ; ai aj ak al gromos type
553 -CA -C N CA gd_4
554 -C N CA C gd_19
555 N CA C +N gd_20
556 N CA CB SG gd_17
557 CA CB SG HG gd_13
559 [ CYS1 ]
560 [ atoms ]
561 N N -0.28000 0
562 H H 0.28000 0
563 CA CH1 0.00000 1
564 CB CH2 0.00000 1
565 SG S 0.00000 1
566 C C 0.380 2
567 O O -0.380 2
568 [ bonds ]
569 N H gb_2
570 N CA gb_20
571 CA C gb_26
572 C O gb_4
573 C +N gb_9
574 CA CB gb_26
575 CB SG gb_30
576 [ angles ]
577 ; ai aj ak gromos type
578 -C N H ga_31
579 H N CA ga_17
580 -C N CA ga_30
581 N CA C ga_12
582 CA C +N ga_18
583 CA C O ga_29
584 O C +N ga_32
585 N CA CB ga_12
586 C CA CB ga_12
587 CA CB SG ga_15
588 [ impropers ]
589 ; ai aj ak al gromos type
590 N -C CA H gi_1
591 C CA +N O gi_1
592 CA N C CB gi_2
593 [ dihedrals ]
594 ; ai aj ak al gromos type
595 -CA -C N CA gd_4
596 -C N CA C gd_19
597 N CA C +N gd_20
598 N CA CB SG gd_17
600 [ CYS2 ]
601 [ atoms ]
602 N N -0.28000 0
603 H H 0.28000 0
604 CA CH1 0.00000 1
605 CB CH2 0.00000 1
606 SG S 0.00000 1
607 C C 0.380 2
608 O O -0.380 2
609 [ bonds ]
610 N H gb_2
611 N CA gb_20
612 CA C gb_26
613 C O gb_4
614 C +N gb_9
615 CA CB gb_26
616 CB SG gb_30
617 [ angles ]
618 ; ai aj ak gromos type
619 -C N H ga_31
620 H N CA ga_17
621 -C N CA ga_30
622 N CA C ga_12
623 CA C +N ga_18
624 CA C O ga_29
625 O C +N ga_32
626 N CA CB ga_12
627 C CA CB ga_12
628 CA CB SG ga_15
629 [ impropers ]
630 ; ai aj ak al gromos type
631 N -C CA H gi_1
632 C CA +N O gi_1
633 CA N C CB gi_2
634 [ dihedrals ]
635 ; ai aj ak al gromos type
636 -CA -C N CA gd_4
637 -C N CA C gd_19
638 N CA C +N gd_20
639 N CA CB SG gd_17
641 [ GLN ]
642 [ atoms ]
643 N N -0.28000 0
644 H H 0.28000 0
645 CA CH1 0.00000 1
646 CB CH2 0.00000 1
647 CG CH2 0.00000 1
648 CD C 0.38000 2
649 OE1 O -0.38000 2
650 NE2 NT -0.83000 3
651 HE21 H 0.41500 3
652 HE22 H 0.41500 3
653 C C 0.380 4
654 O O -0.380 4
655 [ bonds ]
656 N H gb_2
657 N CA gb_20
658 CA C gb_26
659 C O gb_4
660 C +N gb_9
661 CA CB gb_26
662 CB CG gb_26
663 CG CD gb_26
664 CD OE1 gb_4
665 CD NE2 gb_8
666 NE2 HE21 gb_2
667 NE2 HE22 gb_2
668 [ angles ]
669 ; ai aj ak gromos type
670 -C N H ga_31
671 H N CA ga_17
672 -C N CA ga_30
673 N CA C ga_12
674 CA C +N ga_18
675 CA C O ga_29
676 O C +N ga_32
677 N CA CB ga_12
678 C CA CB ga_12
679 CA CB CG ga_14
680 CB CG CD ga_14
681 CG CD OE1 ga_29
682 CG CD NE2 ga_18
683 OE1 CD NE2 ga_32
684 CD NE2 HE21 ga_22
685 CD NE2 HE22 ga_22
686 HE21 NE2 HE22 ga_23
687 [ impropers ]
688 ; ai aj ak al gromos type
689 N -C CA H gi_1
690 C CA +N O gi_1
691 CA N C CB gi_2
692 CD OE1 NE2 CG gi_1
693 NE2 HE21 HE22 CD gi_1
694 [ dihedrals ]
695 ; ai aj ak al gromos type
696 -CA -C N CA gd_4
697 -C N CA C gd_19
698 N CA C +N gd_20
699 N CA CB CG gd_17
700 CA CB CG CD gd_17
701 CB CG CD NE2 gd_20
702 CG CD NE2 HE21 gd_4
704 [ GLU ]
705 [ atoms ]
706 N N -0.28000 0
707 H H 0.28000 0
708 CA CH1 0.00000 1
709 CB CH2 0.00000 1
710 CG CH2 0.00000 1
711 CD C 0.27000 2
712 OE1 OM -0.63500 2
713 OE2 OM -0.63500 2
714 C C 0.380 3
715 O O -0.380 3
716 [ bonds ]
717 N H gb_2
718 N CA gb_20
719 CA C gb_26
720 C O gb_4
721 C +N gb_9
722 CA CB gb_26
723 CB CG gb_26
724 CG CD gb_26
725 CD OE1 gb_5
726 CD OE2 gb_5
727 [ angles ]
728 ; ai aj ak gromos type
729 -C N H ga_31
730 H N CA ga_17
731 -C N CA ga_30
732 N CA C ga_12
733 CA C +N ga_18
734 CA C O ga_29
735 O C +N ga_32
736 N CA CB ga_12
737 C CA CB ga_12
738 CA CB CG ga_14
739 CB CG CD ga_14
740 CG CD OE1 ga_21
741 CG CD OE2 ga_21
742 OE1 CD OE2 ga_37
743 [ impropers ]
744 ; ai aj ak al gromos type
745 N -C CA H gi_1
746 C CA +N O gi_1
747 CA N C CB gi_2
748 CD OE1 OE2 CG gi_1
749 [ dihedrals ]
750 ; ai aj ak al gromos type
751 -CA -C N CA gd_4
752 -C N CA C gd_19
753 N CA C +N gd_20
754 N CA CB CG gd_17
755 CA CB CG CD gd_17
756 CB CG CD OE2 gd_20
758 [ GLUH ]
759 [ atoms ]
760 N N -0.28000 0
761 H H 0.28000 0
762 CA CH1 0.00000 1
763 CB CH2 0.00000 1
764 CG CH2 0.00000 1
765 CD C 0.53000 2
766 OE1 O -0.38000 2
767 OE2 OA -0.54800 2
768 HE2 H 0.39800 2
769 C C 0.380 3
770 O O -0.380 3
771 [ bonds ]
772 N H gb_2
773 N CA gb_20
774 CA C gb_26
775 C O gb_4
776 C +N gb_9
777 CA CB gb_26
778 CB CG gb_26
779 CG CD gb_26
780 CD OE1 gb_4
781 CD OE2 gb_12
782 OE2 HE2 gb_1
783 [ angles ]
784 ; ai aj ak gromos type
785 -C N H ga_31
786 H N CA ga_17
787 -C N CA ga_30
788 N CA C ga_12
789 CA C +N ga_18
790 CA C O ga_29
791 O C +N ga_32
792 N CA CB ga_12
793 C CA CB ga_12
794 CA CB CG ga_14
795 CB CG CD ga_14
796 CG CD OE1 ga_29
797 CG CD OE2 ga_18
798 OE1 CD OE2 ga_32
799 CD OE2 HE2 ga_11
800 [ impropers ]
801 ; ai aj ak al gromos type
802 N -C CA H gi_1
803 C CA +N O gi_1
804 CA N C CB gi_2
805 CD OE1 OE2 CG gi_1
806 [ dihedrals ]
807 ; ai aj ak al gromos type
808 -CA -C N CA gd_4
809 -C N CA C gd_19
810 N CA C +N gd_20
811 N CA CB CG gd_17
812 CA CB CG CD gd_17
813 CB CG CD OE2 gd_20
814 CG CD OE2 HE2 gd_3
816 [ GLY ]
817 [ atoms ]
818 N N -0.28000 0
819 H H 0.28000 0
820 CA CH2 0.00000 1
821 C C 0.380 2
822 O O -0.380 2
823 [ bonds ]
824 N H gb_2
825 N CA gb_20
826 CA C gb_26
827 C O gb_4
828 C +N gb_9
829 [ angles ]
830 ; ai aj ak gromos type
831 -C N H ga_31
832 H N CA ga_17
833 -C N CA ga_30
834 N CA C ga_12
835 CA C +N ga_18
836 CA C O ga_29
837 O C +N ga_32
838 [ impropers ]
839 ; ai aj ak al gromos type
840 N -C CA H gi_1
841 C CA +N O gi_1
842 [ dihedrals ]
843 ; ai aj ak al gromos type
844 -CA -C N CA gd_4
845 -C N CA C gd_19
846 N CA C +N gd_20
848 [ HISA ]
849 [ atoms ]
850 N N -0.28000 0
851 H H 0.28000 0
852 CA CH1 0.00000 1
853 CB CH2 0.00000 1
854 CG C 0.00000 2
855 ND1 NR 0.00000 2
856 HD1 H 0.19000 2
857 CD2 CR1 0.13000 2
858 CE1 CR1 0.26000 2
859 NE2 NR -0.58000 2
860 C C 0.380 3
861 O O -0.380 3
862 [ bonds ]
863 N H gb_2
864 N CA gb_20
865 CA C gb_26
866 C O gb_4
867 C +N gb_9
868 CA CB gb_26
869 CB CG gb_26
870 CG ND1 gb_9
871 CG CD2 gb_9
872 ND1 HD1 gb_2
873 ND1 CE1 gb_9
874 CD2 NE2 gb_9
875 CE1 NE2 gb_9
876 [ exclusions ]
877 ; ai aj
878 CB HD1
879 CB CE1
880 CB NE2
881 HD1 CD2
882 HD1 NE2
883 [ angles ]
884 ; ai aj ak gromos type
885 -C N H ga_31
886 H N CA ga_17
887 -C N CA ga_30
888 N CA C ga_12
889 CA C +N ga_18
890 CA C O ga_29
891 O C +N ga_32
892 N CA CB ga_12
893 C CA CB ga_12
894 CA CB CG ga_14
895 CB CG ND1 ga_36
896 CB CG CD2 ga_36
897 ND1 CG CD2 ga_6
898 CG ND1 HD1 ga_35
899 CG ND1 CE1 ga_6
900 HD1 ND1 CE1 ga_35
901 CG CD2 NE2 ga_6
902 ND1 CE1 NE2 ga_6
903 CD2 NE2 CE1 ga_6
904 [ impropers ]
905 ; ai aj ak al gromos type
906 N -C CA H gi_1
907 C CA +N O gi_1
908 CA N C CB gi_2
909 CG ND1 CD2 CB gi_1
910 CD2 CG ND1 CE1 gi_1
911 ND1 CG CD2 NE2 gi_1
912 CG ND1 CE1 NE2 gi_1
913 CG CD2 NE2 CE1 gi_1
914 CD2 NE2 CE1 ND1 gi_1
915 ND1 CG CE1 HD1 gi_1
916 [ dihedrals ]
917 ; ai aj ak al gromos type
918 -CA -C N CA gd_4
919 -C N CA C gd_19
920 N CA C +N gd_20
921 N CA CB CG gd_17
922 CA CB CG ND1 gd_20
924 [ HISB ]
925 [ atoms ]
926 N N -0.28000 0
927 H H 0.28000 0
928 CA CH1 0.00000 1
929 CB CH2 0.00000 1
930 CG C 0.13000 2
931 ND1 NR -0.58000 2
932 CD2 CR1 0.00000 2
933 CE1 CR1 0.26000 2
934 NE2 NR 0.00000 2
935 HE2 H 0.19000 2
936 C C 0.380 3
937 O O -0.380 3
938 [ bonds ]
939 N H gb_2
940 N CA gb_20
941 CA C gb_26
942 C O gb_4
943 C +N gb_9
944 CA CB gb_26
945 CB CG gb_26
946 CG ND1 gb_9
947 CG CD2 gb_9
948 ND1 CE1 gb_9
949 CD2 NE2 gb_9
950 CE1 NE2 gb_9
951 NE2 HE2 gb_2
952 [ exclusions ]
953 ; ai aj
954 CB CE1
955 CB NE2
956 CG HE2
957 ND1 HE2
958 [ angles ]
959 ; ai aj ak gromos type
960 -C N H ga_31
961 H N CA ga_17
962 -C N CA ga_30
963 N CA C ga_12
964 CA C +N ga_18
965 CA C O ga_29
966 O C +N ga_32
967 N CA CB ga_12
968 C CA CB ga_12
969 CA CB CG ga_14
970 CB CG ND1 ga_36
971 CB CG CD2 ga_36
972 ND1 CG CD2 ga_6
973 CG ND1 CE1 ga_6
974 CG CD2 NE2 ga_6
975 ND1 CE1 NE2 ga_6
976 CD2 NE2 CE1 ga_6
977 CD2 NE2 HE2 ga_35
978 CE1 NE2 HE2 ga_35
979 [ impropers ]
980 ; ai aj ak al gromos type
981 N -C CA H gi_1
982 C CA +N O gi_1
983 CA N C CB gi_2
984 CG ND1 CD2 CB gi_1
985 CD2 CG ND1 CE1 gi_1
986 ND1 CG CD2 NE2 gi_1
987 CG ND1 CE1 NE2 gi_1
988 CG CD2 NE2 CE1 gi_1
989 CD2 NE2 CE1 ND1 gi_1
990 NE2 CD2 CE1 HE2 gi_1
991 [ dihedrals ]
992 ; ai aj ak al gromos type
993 -CA -C N CA gd_4
994 -C N CA C gd_19
995 N CA C +N gd_20
996 N CA CB CG gd_17
997 CA CB CG ND1 gd_20
999 [ HISH ]
1000 [ atoms ]
1001 N N -0.28000 0
1002 H H 0.28000 0
1003 CA CH1 0.00000 1
1004 CB CH2 0.00000 1
1005 CG C -0.05000 2
1006 ND1 NR 0.38000 2
1007 HD1 H 0.30000 2
1008 CD2 CR1 0.00000 2
1009 CE1 CR1 -0.24000 2
1010 NE2 NR 0.31000 2
1011 HE2 H 0.30000 2
1012 C C 0.380 3
1013 O O -0.380 3
1014 [ bonds ]
1015 N H gb_2
1016 N CA gb_20
1017 CA C gb_26
1018 C O gb_4
1019 C +N gb_9
1020 CA CB gb_26
1021 CB CG gb_26
1022 CG ND1 gb_9
1023 CG CD2 gb_9
1024 ND1 HD1 gb_2
1025 ND1 CE1 gb_9
1026 CD2 NE2 gb_9
1027 CE1 NE2 gb_9
1028 NE2 HE2 gb_2
1029 [ exclusions ]
1030 ; ai aj
1031 CB HD1
1032 CB CE1
1033 CB NE2
1034 CG HE2
1035 ND1 HE2
1036 HD1 CD2
1037 HD1 NE2
1038 [ angles ]
1039 ; ai aj ak gromos type
1040 -C N H ga_31
1041 H N CA ga_17
1042 -C N CA ga_30
1043 N CA C ga_12
1044 CA C +N ga_18
1045 CA C O ga_29
1046 O C +N ga_32
1047 N CA CB ga_12
1048 C CA CB ga_12
1049 CA CB CG ga_14
1050 CB CG ND1 ga_36
1051 CB CG CD2 ga_36
1052 ND1 CG CD2 ga_6
1053 CG ND1 HD1 ga_35
1054 CG ND1 CE1 ga_6
1055 HD1 ND1 CE1 ga_35
1056 CG CD2 NE2 ga_6
1057 ND1 CE1 NE2 ga_6
1058 CD2 NE2 CE1 ga_6
1059 CD2 NE2 HE2 ga_35
1060 CE1 NE2 HE2 ga_35
1061 [ impropers ]
1062 ; ai aj ak al gromos type
1063 N -C CA H gi_1
1064 C CA +N O gi_1
1065 CA N C CB gi_2
1066 CG ND1 CD2 CB gi_1
1067 CD2 CG ND1 CE1 gi_1
1068 ND1 CG CD2 NE2 gi_1
1069 CG ND1 CE1 NE2 gi_1
1070 CG CD2 NE2 CE1 gi_1
1071 CD2 NE2 CE1 ND1 gi_1
1072 ND1 CG CE1 HD1 gi_1
1073 NE2 CD2 CE1 HE2 gi_1
1074 [ dihedrals ]
1075 ; ai aj ak al gromos type
1076 -CA -C N CA gd_4
1077 -C N CA C gd_19
1078 N CA C +N gd_20
1079 N CA CB CG gd_17
1080 CA CB CG ND1 gd_20
1082 [ HIS1 ]
1083 [ atoms ]
1084 N N -0.28000 0
1085 H H 0.28000 0
1086 CA CH1 0.00000 1
1087 CB CH2 0.00000 1
1088 CG C 0.00000 2
1089 ND1 NR 0.00000 2
1090 HD1 H 0.19000 2
1091 CD2 CR1 0.13000 2
1092 CE1 CR1 0.26000 2
1093 NE2 NR -0.58000 2
1094 C C 0.380 3
1095 O O -0.380 3
1096 [ bonds ]
1097 N H gb_2
1098 N CA gb_20
1099 CA C gb_26
1100 C O gb_4
1101 C +N gb_9
1102 CA CB gb_26
1103 CB CG gb_26
1104 CG ND1 gb_9
1105 CG CD2 gb_9
1106 ND1 HD1 gb_2
1107 ND1 CE1 gb_9
1108 CD2 NE2 gb_9
1109 CE1 NE2 gb_9
1110 [ exclusions ]
1111 ; ai aj
1112 CB HD1
1113 CB CE1
1114 CB NE2
1115 HD1 CD2
1116 HD1 NE2
1117 [ angles ]
1118 ; ai aj ak gromos type
1119 -C N H ga_31
1120 H N CA ga_17
1121 -C N CA ga_30
1122 N CA C ga_12
1123 CA C +N ga_18
1124 CA C O ga_29
1125 O C +N ga_32
1126 N CA CB ga_12
1127 C CA CB ga_12
1128 CA CB CG ga_14
1129 CB CG ND1 ga_36
1130 CB CG CD2 ga_36
1131 ND1 CG CD2 ga_6
1132 CG ND1 HD1 ga_35
1133 CG ND1 CE1 ga_6
1134 HD1 ND1 CE1 ga_35
1135 CG CD2 NE2 ga_6
1136 ND1 CE1 NE2 ga_6
1137 CD2 NE2 CE1 ga_6
1138 CD2 NE2 -C ga_33
1139 CE1 NE2 -C ga_33
1140 NE2 -C -CA ga_16
1141 [ impropers ]
1142 ; ai aj ak al gromos type
1143 N -C CA H gi_1
1144 C CA +N O gi_1
1145 CA N C CB gi_2
1146 CG ND1 CD2 CB gi_1
1147 CD2 CG ND1 CE1 gi_1
1148 ND1 CG CD2 NE2 gi_1
1149 CG ND1 CE1 NE2 gi_1
1150 CG CD2 NE2 CE1 gi_1
1151 CD2 NE2 CE1 ND1 gi_1
1152 ND1 CG CE1 HD1 gi_1
1153 [ dihedrals ]
1154 ; ai aj ak al gromos type
1155 -CA -C N CA gd_4
1156 -C N CA C gd_19
1157 N CA C +N gd_20
1158 N CA CB CG gd_17
1159 CA CB CG ND1 gd_20
1160 CD2 NE2 -C -CA gd_18
1162 [ HYP ]
1163 [ atoms ]
1164 N N 0.00000 0
1165 CA CH1 0.00000 1
1166 CB CH2 0.00000 1
1167 CG CH1 0.15000 2
1168 OD1 OA -0.54800 2
1169 HD1 H 0.39800 2
1170 CD2 CH2 0.00000 3
1171 C C 0.380 4
1172 O O -0.380 4
1173 [ bonds ]
1174 N CA gb_20
1175 CA C gb_26
1176 C O gb_4
1177 C +N gb_9
1178 CA CB gb_26
1179 CB CG gb_26
1180 CG OD1 gb_17
1181 OD1 HD1 gb_1
1182 CG CD2 gb_26
1183 CD2 N gb_20
1184 [ angles ]
1185 ; ai aj ak gromos type
1186 -C N CA ga_30
1187 N CA C ga_12
1188 CA C +N ga_18
1189 CA C O ga_29
1190 O C +N ga_32
1191 N CA CB ga_12
1192 C CA CB ga_12
1193 CA CB CG ga_12
1194 CB CG OD1 ga_12
1195 CB CG CD2 ga_12
1196 CG OD1 HD1 ga_11
1197 OD1 CG CD2 ga_12
1198 CG CD2 N ga_12
1199 CD2 N CA ga_20
1200 -C N CD2 ga_30
1201 [ impropers ]
1202 ; ai aj ak al gromos type
1203 N -C CA CD2 gi_1
1204 C CA +N O gi_1
1205 CA N C CB gi_2
1206 CG CD2 CB OD1 gi_2
1207 [ dihedrals ]
1208 ; ai aj ak al gromos type
1209 -CA -C N CA gd_4
1210 -C N CA C gd_19
1211 N CA C +N gd_20
1212 N CA CB CG gd_17
1213 CA CB CG CD2 gd_17
1214 CB CG CD2 N gd_17
1215 CG CD2 N CA gd_19
1216 CB CG OD1 HD1 gd_12
1218 [ ILE ]
1219 [ atoms ]
1220 N N -0.28000 0
1221 H H 0.28000 0
1222 CA CH1 0.00000 1
1223 CB CH1 0.00000 2
1224 CG1 CH2 0.00000 2
1225 CG2 CH3 0.00000 2
1226 CD CH3 0.00000 2
1227 C C 0.380 3
1228 O O -0.380 3
1229 [ bonds ]
1230 N H gb_2
1231 N CA gb_20
1232 CA C gb_26
1233 C O gb_4
1234 C +N gb_9
1235 CA CB gb_26
1236 CB CG1 gb_26
1237 CB CG2 gb_26
1238 CG1 CD gb_26
1239 [ angles ]
1240 ; ai aj ak gromos type
1241 -C N H ga_31
1242 H N CA ga_17
1243 -C N CA ga_30
1244 N CA C ga_12
1245 CA C +N ga_18
1246 CA C O ga_29
1247 O C +N ga_32
1248 N CA CB ga_12
1249 C CA CB ga_12
1250 CA CB CG1 ga_14
1251 CA CB CG2 ga_14
1252 CG1 CB CG2 ga_14
1253 CB CG1 CD ga_14
1254 [ impropers ]
1255 ; ai aj ak al gromos type
1256 N -C CA H gi_1
1257 C CA +N O gi_1
1258 CA N C CB gi_2
1259 CB CG1 CG2 CA gi_2
1260 [ dihedrals ]
1261 ; ai aj ak al gromos type
1262 -CA -C N CA gd_4
1263 -C N CA C gd_19
1264 N CA C +N gd_20
1265 N CA CB CG1 gd_17
1266 CA CB CG1 CD gd_17
1268 [ LEU ]
1269 [ atoms ]
1270 N N -0.28000 0
1271 H H 0.28000 0
1272 CA CH1 0.00000 1
1273 CB CH2 0.00000 1
1274 CG CH1 0.00000 2
1275 CD1 CH3 0.00000 2
1276 CD2 CH3 0.00000 2
1277 C C 0.380 3
1278 O O -0.380 3
1279 [ bonds ]
1280 N H gb_2
1281 N CA gb_20
1282 CA C gb_26
1283 C O gb_4
1284 C +N gb_9
1285 CA CB gb_26
1286 CB CG gb_26
1287 CG CD1 gb_26
1288 CG CD2 gb_26
1289 [ angles ]
1290 ; ai aj ak gromos type
1291 -C N H ga_31
1292 H N CA ga_17
1293 -C N CA ga_30
1294 N CA C ga_12
1295 CA C +N ga_18
1296 CA C O ga_29
1297 O C +N ga_32
1298 N CA CB ga_12
1299 C CA CB ga_12
1300 CA CB CG ga_14
1301 CB CG CD1 ga_14
1302 CB CG CD2 ga_14
1303 CD1 CG CD2 ga_14
1304 [ impropers ]
1305 ; ai aj ak al gromos type
1306 N -C CA H gi_1
1307 C CA +N O gi_1
1308 CA N C CB gi_2
1309 CG CD2 CD1 CB gi_2
1310 [ dihedrals ]
1311 ; ai aj ak al gromos type
1312 -CA -C N CA gd_4
1313 -C N CA C gd_19
1314 N CA C +N gd_20
1315 N CA CB CG gd_17
1316 CA CB CG CD1 gd_17
1318 [ LYS ]
1319 [ atoms ]
1320 N N -0.28000 0
1321 H H 0.28000 0
1322 CA CH1 0.00000 1
1323 CB CH2 0.00000 1
1324 CG CH2 0.00000 2
1325 CD CH2 0.00000 2
1326 CE CH2 0.00000 3
1327 NZ NT -0.83000 3
1328 HZ1 H 0.41500 3
1329 HZ2 H 0.41500 3
1330 C C 0.380 4
1331 O O -0.380 4
1332 [ bonds ]
1333 N H gb_2
1334 N CA gb_20
1335 CA C gb_26
1336 C O gb_4
1337 C +N gb_9
1338 CA CB gb_26
1339 CB CG gb_26
1340 CG CD gb_26
1341 CD CE gb_26
1342 CE NZ gb_20
1343 NZ HZ1 gb_2
1344 NZ HZ2 gb_2
1345 [ angles ]
1346 ; ai aj ak gromos type
1347 -C N H ga_31
1348 H N CA ga_17
1349 -C N CA ga_30
1350 N CA C ga_12
1351 CA C +N ga_18
1352 CA C O ga_29
1353 O C +N ga_32
1354 N CA CB ga_12
1355 C CA CB ga_12
1356 CA CB CG ga_14
1357 CB CG CD ga_14
1358 CG CD CE ga_14
1359 CD CE NZ ga_14
1360 CE NZ HZ1 ga_10
1361 CE NZ HZ2 ga_10
1362 HZ1 NZ HZ2 ga_9
1363 [ impropers ]
1364 ; ai aj ak al gromos type
1365 N -C CA H gi_1
1366 C CA +N O gi_1
1367 CA N C CB gi_2
1368 [ dihedrals ]
1369 ; ai aj ak al gromos type
1370 -CA -C N CA gd_4
1371 -C N CA C gd_19
1372 N CA C +N gd_20
1373 N CA CB CG gd_17
1374 CA CB CG CD gd_17
1375 CB CG CD CE gd_17
1376 CG CD CE NZ gd_17
1377 CD CE NZ HZ1 gd_14
1379 [ LYSH ]
1380 [ atoms ]
1381 N N -0.28000 0
1382 H H 0.28000 0
1383 CA CH1 0.00000 1
1384 CB CH2 0.00000 1
1385 CG CH2 0.00000 2
1386 CD CH2 0.00000 2
1387 CE CH2 0.12700 3
1388 NZ NL 0.12900 3
1389 HZ1 H 0.24800 3
1390 HZ2 H 0.24800 3
1391 HZ3 H 0.24800 3
1392 C C 0.380 4
1393 O O -0.380 4
1394 [ bonds ]
1395 N H gb_2
1396 N CA gb_20
1397 CA C gb_26
1398 C O gb_4
1399 C +N gb_9
1400 CA CB gb_26
1401 CB CG gb_26
1402 CG CD gb_26
1403 CD CE gb_26
1404 CE NZ gb_20
1405 NZ HZ1 gb_2
1406 NZ HZ2 gb_2
1407 NZ HZ3 gb_2
1408 [ angles ]
1409 ; ai aj ak gromos type
1410 -C N H ga_31
1411 H N CA ga_17
1412 -C N CA ga_30
1413 N CA C ga_12
1414 CA C +N ga_18
1415 CA C O ga_29
1416 O C +N ga_32
1417 N CA CB ga_12
1418 C CA CB ga_12
1419 CA CB CG ga_14
1420 CB CG CD ga_14
1421 CG CD CE ga_14
1422 CD CE NZ ga_14
1423 CE NZ HZ1 ga_10
1424 CE NZ HZ2 ga_10
1425 CE NZ HZ3 ga_10
1426 HZ1 NZ HZ2 ga_9
1427 HZ1 NZ HZ3 ga_9
1428 HZ2 NZ HZ3 ga_9
1429 [ impropers ]
1430 ; ai aj ak al gromos type
1431 N -C CA H gi_1
1432 C CA +N O gi_1
1433 CA N C CB gi_2
1434 [ dihedrals ]
1435 ; ai aj ak al gromos type
1436 -CA -C N CA gd_4
1437 -C N CA C gd_19
1438 N CA C +N gd_20
1439 N CA CB CG gd_17
1440 CA CB CG CD gd_17
1441 CB CG CD CE gd_17
1442 CG CD CE NZ gd_17
1443 CD CE NZ HZ1 gd_14
1445 [ MET ]
1446 [ atoms ]
1447 N N -0.28000 0
1448 H H 0.28000 0
1449 CA CH1 0.00000 1
1450 CB CH2 0.00000 1
1451 CG CH2 0.00000 1
1452 SD S 0.00000 2
1453 CE CH3 0.00000 2
1454 C C 0.380 3
1455 O O -0.380 3
1456 [ bonds ]
1457 N H gb_2
1458 N CA gb_20
1459 CA C gb_26
1460 C O gb_4
1461 C +N gb_9
1462 CA CB gb_26
1463 CB CG gb_26
1464 CG SD gb_30
1465 SD CE gb_29
1466 [ angles ]
1467 ; ai aj ak gromos type
1468 -C N H ga_31
1469 H N CA ga_17
1470 -C N CA ga_30
1471 N CA C ga_12
1472 CA C +N ga_18
1473 CA C O ga_29
1474 O C +N ga_32
1475 N CA CB ga_12
1476 C CA CB ga_12
1477 CA CB CG ga_14
1478 CB CG SD ga_15
1479 CG SD CE ga_3
1480 [ impropers ]
1481 ; ai aj ak al gromos type
1482 N -C CA H gi_1
1483 C CA +N O gi_1
1484 CA N C CB gi_2
1485 [ dihedrals ]
1486 ; ai aj ak al gromos type
1487 -CA -C N CA gd_4
1488 -C N CA C gd_19
1489 N CA C +N gd_20
1490 N CA CB CG gd_17
1491 CA CB CG SD gd_17
1492 CB CG SD CE gd_13
1494 [ PHE ]
1495 [ atoms ]
1496 N N -0.28000 0
1497 H H 0.28000 0
1498 CA CH1 0.00000 1
1499 CB CH2 0.00000 1
1500 CG C 0.00000 1
1501 CD1 C -0.10000 2
1502 HD1 HC 0.10000 2
1503 CD2 C -0.10000 3
1504 HD2 HC 0.10000 3
1505 CE1 C -0.10000 4
1506 HE1 HC 0.10000 4
1507 CE2 C -0.10000 5
1508 HE2 HC 0.10000 5
1509 CZ C -0.10000 6
1510 HZ HC 0.10000 6
1511 C C 0.380 7
1512 O O -0.380 7
1513 [ bonds ]
1514 N H gb_2
1515 N CA gb_20
1516 CA C gb_26
1517 C O gb_4
1518 C +N gb_9
1519 CA CB gb_26
1520 CB CG gb_26
1521 CG CD1 gb_15
1522 CG CD2 gb_15
1523 CD1 HD1 gb_3
1524 CD1 CE1 gb_15
1525 CD2 HD2 gb_3
1526 CD2 CE2 gb_15
1527 CE1 HE1 gb_3
1528 CE1 CZ gb_15
1529 CE2 HE2 gb_3
1530 CE2 CZ gb_15
1531 CZ HZ gb_3
1532 [ exclusions ]
1533 ; ai aj
1534 CB HD1
1535 CB HD2
1536 CB CE1
1537 CB CE2
1538 CG HE1
1539 CG HE2
1540 CG CZ
1541 CD1 HD2
1542 CD1 CE2
1543 CD1 HZ
1544 HD1 CD2
1545 HD1 HE1
1546 HD1 CZ
1547 CD2 CE1
1548 CD2 HZ
1549 HD2 HE2
1550 HD2 CZ
1551 CE1 HE2
1552 HE1 CE2
1553 HE1 HZ
1554 HE2 HZ
1555 [ angles ]
1556 ; ai aj ak gromos type
1557 -C N H ga_31
1558 H N CA ga_17
1559 -C N CA ga_30
1560 N CA C ga_12
1561 CA C +N ga_18
1562 CA C O ga_29
1563 O C +N ga_32
1564 N CA CB ga_12
1565 C CA CB ga_12
1566 CA CB CG ga_14
1567 CB CG CD1 ga_26
1568 CB CG CD2 ga_26
1569 CD1 CG CD2 ga_26
1570 CG CD1 HD1 ga_24
1571 HD1 CD1 CE1 ga_24
1572 CG CD1 CE1 ga_26
1573 CG CD2 HD2 ga_24
1574 HD2 CD2 CE2 ga_24
1575 CG CD2 CE2 ga_26
1576 CD1 CE1 HE1 ga_24
1577 HE1 CE1 CZ ga_24
1578 CD1 CE1 CZ ga_26
1579 CD2 CE2 HE2 ga_24
1580 HE2 CE2 CZ ga_24
1581 CD2 CE2 CZ ga_26
1582 CE1 CZ HZ ga_24
1583 CE2 CZ HZ ga_24
1584 CE1 CZ CE2 ga_26
1585 [ impropers ]
1586 ; ai aj ak al gromos type
1587 N -C CA H gi_1
1588 C CA +N O gi_1
1589 CA N C CB gi_2
1590 CG CD1 CD2 CB gi_1
1591 CD2 CG CD1 CE1 gi_1
1592 CD1 CG CD2 CE2 gi_1
1593 CG CD1 CE1 CZ gi_1
1594 CG CD2 CE2 CZ gi_1
1595 CD1 CE1 CZ CE2 gi_1
1596 CD2 CE2 CZ CE1 gi_1
1597 CD1 CG CE1 HD1 gi_1
1598 CD2 CG CE2 HD2 gi_1
1599 CE1 CZ CD1 HE1 gi_1
1600 CE2 CZ CD2 HE2 gi_1
1601 CZ CE1 CE2 HZ gi_1
1602 [ dihedrals ]
1603 ; ai aj ak al gromos type
1604 -CA -C N CA gd_4
1605 -C N CA C gd_19
1606 N CA C +N gd_20
1607 N CA CB CG gd_17
1608 CA CB CG CD1 gd_20
1610 [ PRO ]
1611 [ atoms ]
1612 N N 0.00000 0
1613 CA CH1 0.00000 1
1614 CB CH2 0.00000 1
1615 CG CH2 0.00000 2
1616 CD CH2 0.00000 2
1617 C C 0.380 3
1618 O O -0.380 3
1619 [ bonds ]
1620 N CA gb_20
1621 CA C gb_26
1622 C O gb_4
1623 C +N gb_9
1624 CA CB gb_26
1625 CB CG gb_26
1626 CG CD gb_26
1627 CD N gb_20
1628 [ angles ]
1629 ; ai aj ak gromos type
1630 -C N CA ga_30
1631 N CA C ga_12
1632 CA C +N ga_18
1633 CA C O ga_29
1634 O C +N ga_32
1635 N CA CB ga_12
1636 C CA CB ga_12
1637 CA CB CG ga_12
1638 CB CG CD ga_12
1639 CG CD N ga_12
1640 CD N CA ga_20
1641 -C N CD ga_30
1642 [ impropers ]
1643 ; ai aj ak al gromos type
1644 N -C CA CD gi_1
1645 C CA +N O gi_1
1646 CA N C CB gi_2
1647 [ dihedrals ]
1648 ; ai aj ak al gromos type
1649 -CA -C N CA gd_4
1650 -C N CA C gd_19
1651 N CA C +N gd_20
1652 N CA CB CG gd_17
1653 CA CB CG CD gd_17
1654 CB CG CD N gd_17
1655 CG CD N CA gd_19
1657 [ SER ]
1658 [ atoms ]
1659 N N -0.28000 0
1660 H H 0.28000 0
1661 CA CH1 0.00000 1
1662 CB CH2 0.15000 2
1663 OG OA -0.54800 2
1664 HG H 0.39800 2
1665 C C 0.380 3
1666 O O -0.380 3
1667 [ bonds ]
1668 N H gb_2
1669 N CA gb_20
1670 CA C gb_26
1671 C O gb_4
1672 C +N gb_9
1673 CA CB gb_26
1674 CB OG gb_17
1675 OG HG gb_1
1676 [ angles ]
1677 ; ai aj ak gromos type
1678 -C N H ga_31
1679 H N CA ga_17
1680 -C N CA ga_30
1681 N CA C ga_12
1682 CA C +N ga_18
1683 CA C O ga_29
1684 O C +N ga_32
1685 N CA CB ga_12
1686 C CA CB ga_12
1687 CA CB OG ga_12
1688 CB OG HG ga_11
1689 [ impropers ]
1690 ; ai aj ak al gromos type
1691 N -C CA H gi_1
1692 C CA +N O gi_1
1693 CA N C CB gi_2
1694 [ dihedrals ]
1695 ; ai aj ak al gromos type
1696 -CA -C N CA gd_4
1697 -C N CA C gd_19
1698 N CA C +N gd_20
1699 N CA CB OG gd_17
1700 CA CB OG HG gd_12
1702 [ THR ]
1703 [ atoms ]
1704 N N -0.28000 0
1705 H H 0.28000 0
1706 CA CH1 0.00000 1
1707 CB CH1 0.15000 2
1708 OG1 OA -0.54800 2
1709 HG1 H 0.39800 2
1710 CG2 CH3 0.00000 3
1711 C C 0.380 4
1712 O O -0.380 4
1713 [ bonds ]
1714 N H gb_2
1715 N CA gb_20
1716 CA C gb_26
1717 C O gb_4
1718 C +N gb_9
1719 CA CB gb_26
1720 CB OG1 gb_17
1721 CB CG2 gb_26
1722 OG1 HG1 gb_1
1723 [ angles ]
1724 ; ai aj ak gromos type
1725 -C N H ga_31
1726 H N CA ga_17
1727 -C N CA ga_30
1728 N CA C ga_12
1729 CA C +N ga_18
1730 CA C O ga_29
1731 O C +N ga_32
1732 N CA CB ga_12
1733 C CA CB ga_12
1734 CA CB OG1 ga_12
1735 CA CB CG2 ga_14
1736 OG1 CB CG2 ga_14
1737 CB OG1 HG1 ga_11
1738 [ impropers ]
1739 ; ai aj ak al gromos type
1740 N -C CA H gi_1
1741 C CA +N O gi_1
1742 CA N C CB gi_2
1743 CB OG1 CG2 CA gi_2
1744 [ dihedrals ]
1745 ; ai aj ak al gromos type
1746 -CA -C N CA gd_4
1747 -C N CA C gd_19
1748 N CA C +N gd_20
1749 N CA CB OG1 gd_17
1750 CA CB OG1 HG1 gd_12
1752 [ TRP ]
1753 [ atoms ]
1754 N N -0.28000 0
1755 H H 0.28000 0
1756 CA CH1 0.00000 1
1757 CB CH2 0.00000 1
1758 CG C -0.14000 2
1759 CD1 C -0.10000 2
1760 HD1 HC 0.10000 2
1761 CD2 C 0.00000 2
1762 NE1 NR -0.05000 2
1763 HE1 H 0.19000 2
1764 CE2 C 0.00000 2
1765 CE3 C -0.10000 3
1766 HE3 HC 0.10000 3
1767 CZ2 C -0.10000 4
1768 HZ2 HC 0.10000 4
1769 CZ3 C -0.10000 5
1770 HZ3 HC 0.10000 5
1771 CH2 C -0.10000 6
1772 HH2 HC 0.10000 6
1773 C C 0.380 7
1774 O O -0.380 7
1775 [ bonds ]
1776 N H gb_2
1777 N CA gb_20
1778 CA C gb_26
1779 C O gb_4
1780 C +N gb_9
1781 CA CB gb_26
1782 CB CG gb_26
1783 CG CD1 gb_9
1784 CG CD2 gb_15
1785 CD1 HD1 gb_3
1786 CD1 NE1 gb_9
1787 CD2 CE2 gb_15
1788 CD2 CE3 gb_15
1789 NE1 HE1 gb_2
1790 NE1 CE2 gb_9
1791 CE2 CZ2 gb_15
1792 CE3 HE3 gb_3
1793 CE3 CZ3 gb_15
1794 CZ2 HZ2 gb_3
1795 CZ2 CH2 gb_15
1796 CZ3 HZ3 gb_3
1797 CZ3 CH2 gb_15
1798 CH2 HH2 gb_3
1799 [ exclusions ]
1800 ; ai aj
1801 CB HD1
1802 CB NE1
1803 CB CE2
1804 CB CE3
1805 CG HE1
1806 CG HE3
1807 CG CZ2
1808 CG CZ3
1809 CD1 CE3
1810 CD1 CZ2
1811 HD1 CD2
1812 HD1 HE1
1813 HD1 CE2
1814 CD2 HE1
1815 CD2 HZ2
1816 CD2 HZ3
1817 CD2 CH2
1818 NE1 CE3
1819 NE1 HZ2
1820 NE1 CH2
1821 HE1 CZ2
1822 CE2 HE3
1823 CE2 CZ3
1824 CE2 HH2
1825 CE3 CZ2
1826 CE3 HH2
1827 HE3 HZ3
1828 HE3 CH2
1829 CZ2 HZ3
1830 HZ2 CZ3
1831 HZ2 HH2
1832 HZ3 HH2
1833 [ angles ]
1834 ; ai aj ak gromos type
1835 -C N H ga_31
1836 H N CA ga_17
1837 -C N CA ga_30
1838 N CA C ga_12
1839 CA C +N ga_18
1840 CA C O ga_29
1841 O C +N ga_32
1842 N CA CB ga_12
1843 C CA CB ga_12
1844 CA CB CG ga_14
1845 CB CG CD1 ga_36
1846 CB CG CD2 ga_36
1847 CD1 CG CD2 ga_6
1848 CG CD1 HD1 ga_35
1849 HD1 CD1 NE1 ga_35
1850 CG CD1 NE1 ga_6
1851 CG CD2 CE2 ga_6
1852 CD1 NE1 CE2 ga_6
1853 CD1 NE1 HE1 ga_35
1854 HE1 NE1 CE2 ga_35
1855 NE1 CE2 CD2 ga_6
1856 CG CD2 CE3 ga_38
1857 NE1 CE2 CZ2 ga_38
1858 CD2 CE2 CZ2 ga_26
1859 CE2 CD2 CE3 ga_26
1860 CD2 CE3 HE3 ga_24
1861 HE3 CE3 CZ3 ga_24
1862 CD2 CE3 CZ3 ga_26
1863 CE2 CZ2 HZ2 ga_24
1864 HZ2 CZ2 CH2 ga_24
1865 CE2 CZ2 CH2 ga_26
1866 CE3 CZ3 HZ3 ga_24
1867 HZ3 CZ3 CH2 ga_24
1868 CE3 CZ3 CH2 ga_26
1869 CZ2 CH2 HH2 ga_24
1870 HH2 CH2 CZ3 ga_24
1871 CZ2 CH2 CZ3 ga_26
1872 [ impropers ]
1873 ; ai aj ak al gromos type
1874 N -C CA H gi_1
1875 C CA +N O gi_1
1876 CA N C CB gi_2
1877 CG CD1 CD2 CB gi_1
1878 CD2 CG CD1 NE1 gi_1
1879 CD1 CG CD2 CE2 gi_1
1880 CG CD1 NE1 CE2 gi_1
1881 CG CD2 CE2 NE1 gi_1
1882 CD1 NE1 CE2 CD2 gi_1
1883 CD1 CG NE1 HD1 gi_1
1884 NE1 CD1 CE2 HE1 gi_1
1885 CD2 CE2 CE3 CG gi_1
1886 CE2 CD2 CZ2 NE1 gi_1
1887 CE3 CD2 CE2 CZ2 gi_1
1888 CD2 CE2 CZ2 CH2 gi_1
1889 CE2 CD2 CE3 CZ3 gi_1
1890 CE2 CZ2 CH2 CZ3 gi_1
1891 CD2 CE3 CZ3 CH2 gi_1
1892 CE3 CZ3 CH2 CZ2 gi_1
1893 CE3 CD2 CZ3 HE3 gi_1
1894 CZ2 CE2 CH2 HZ2 gi_1
1895 CZ3 CE3 CH2 HZ3 gi_1
1896 CH2 CZ2 CZ3 HH2 gi_1
1897 [ dihedrals ]
1898 ; ai aj ak al gromos type
1899 -CA -C N CA gd_4
1900 -C N CA C gd_19
1901 N CA C +N gd_20
1902 N CA CB CG gd_17
1903 CA CB CG CD2 gd_20
1905 [ TYR ]
1906 [ atoms ]
1907 N N -0.28000 0
1908 H H 0.28000 0
1909 CA CH1 0.00000 1
1910 CB CH2 0.00000 1
1911 CG C 0.00000 1
1912 CD1 C -0.10000 2
1913 HD1 HC 0.10000 2
1914 CD2 C -0.10000 3
1915 HD2 HC 0.10000 3
1916 CE1 C -0.10000 4
1917 HE1 HC 0.10000 4
1918 CE2 C -0.10000 5
1919 HE2 HC 0.10000 5
1920 CZ C 0.15000 6
1921 OH OA -0.54800 6
1922 HH H 0.39800 6
1923 C C 0.380 7
1924 O O -0.380 7
1925 [ bonds ]
1926 N H gb_2
1927 N CA gb_20
1928 CA C gb_26
1929 C O gb_4
1930 C +N gb_9
1931 CA CB gb_26
1932 CB CG gb_26
1933 CG CD1 gb_15
1934 CG CD2 gb_15
1935 CD1 HD1 gb_3
1936 CD1 CE1 gb_15
1937 CD2 HD2 gb_3
1938 CD2 CE2 gb_15
1939 CE1 HE1 gb_3
1940 CE1 CZ gb_15
1941 CE2 HE2 gb_3
1942 CE2 CZ gb_15
1943 CZ OH gb_12
1944 OH HH gb_1
1945 [ exclusions ]
1946 ; ai aj
1947 CB HD1
1948 CB HD2
1949 CB CE1
1950 CB CE2
1951 CG HE1
1952 CG HE2
1953 CG CZ
1954 CD1 HD2
1955 CD1 CE2
1956 CD1 OH
1957 HD1 CD2
1958 HD1 HE1
1959 HD1 CZ
1960 CD2 CE1
1961 CD2 OH
1962 HD2 HE2
1963 HD2 CZ
1964 CE1 HE2
1965 HE1 CE2
1966 HE1 OH
1967 HE2 OH
1968 [ angles ]
1969 ; ai aj ak gromos type
1970 -C N H ga_31
1971 H N CA ga_17
1972 -C N CA ga_30
1973 N CA C ga_12
1974 CA C +N ga_18
1975 CA C O ga_29
1976 O C +N ga_32
1977 N CA CB ga_12
1978 C CA CB ga_12
1979 CA CB CG ga_14
1980 CB CG CD1 ga_26
1981 CB CG CD2 ga_26
1982 CD1 CG CD2 ga_26
1983 CG CD1 HD1 ga_24
1984 HD1 CD1 CE1 ga_24
1985 CG CD1 CE1 ga_26
1986 CG CD2 HD2 ga_24
1987 HD2 CD2 CE2 ga_24
1988 CG CD2 CE2 ga_26
1989 CD1 CE1 HE1 ga_24
1990 HE1 CE1 CZ ga_24
1991 CD1 CE1 CZ ga_26
1992 CD2 CE2 HE2 ga_24
1993 HE2 CE2 CZ ga_24
1994 CD2 CE2 CZ ga_26
1995 CE1 CZ CE2 ga_26
1996 CE1 CZ OH ga_26
1997 CE2 CZ OH ga_26
1998 CZ OH HH ga_11
1999 [ impropers ]
2000 ; ai aj ak al gromos type
2001 N -C CA H gi_1
2002 C CA +N O gi_1
2003 CA N C CB gi_2
2004 CG CD1 CD2 CB gi_1
2005 CD2 CG CD1 CE1 gi_1
2006 CD1 CG CD2 CE2 gi_1
2007 CG CD1 CE1 CZ gi_1
2008 CG CD2 CE2 CZ gi_1
2009 CD1 CE1 CZ CE2 gi_1
2010 CD2 CE2 CZ CE1 gi_1
2011 CD1 CG CE1 HD1 gi_1
2012 CD2 CG CE2 HD2 gi_1
2013 CE1 CZ CD1 HE1 gi_1
2014 CE2 CZ CD2 HE2 gi_1
2015 CZ CE1 CE2 OH gi_1
2016 [ dihedrals ]
2017 ; ai aj ak al gromos type
2018 -CA -C N CA gd_4
2019 -C N CA C gd_19
2020 N CA C +N gd_20
2021 N CA CB CG gd_17
2022 CA CB CG CD1 gd_20
2023 CE1 CZ OH HH gd_2
2025 [ VAL ]
2026 [ atoms ]
2027 N N -0.28000 0
2028 H H 0.28000 0
2029 CA CH1 0.00000 1
2030 CB CH1 0.00000 1
2031 CG1 CH3 0.00000 1
2032 CG2 CH3 0.00000 1
2033 C C 0.380 2
2034 O O -0.380 2
2035 [ bonds ]
2036 N H gb_2
2037 N CA gb_20
2038 CA C gb_26
2039 C O gb_4
2040 C +N gb_9
2041 CA CB gb_26
2042 CB CG1 gb_26
2043 CB CG2 gb_26
2044 [ angles ]
2045 ; ai aj ak gromos type
2046 -C N H ga_31
2047 H N CA ga_17
2048 -C N CA ga_30
2049 N CA C ga_12
2050 CA C +N ga_18
2051 CA C O ga_29
2052 O C +N ga_32
2053 N CA CB ga_12
2054 C CA CB ga_12
2055 CA CB CG1 ga_14
2056 CA CB CG2 ga_14
2057 CG1 CB CG2 ga_14
2058 [ impropers ]
2059 ; ai aj ak al gromos type
2060 N -C CA H gi_1
2061 C CA +N O gi_1
2062 CA N C CB gi_2
2063 CB CG2 CG1 CA gi_2
2064 [ dihedrals ]
2065 ; ai aj ak al gromos type
2066 -CA -C N CA gd_4
2067 -C N CA C gd_19
2068 N CA C +N gd_20
2069 N CA CB CG1 gd_17
2071 [ DALA ]
2072 [ atoms ]
2073 N N -0.28000 0
2074 H H 0.28000 0
2075 CA CH1 0.00000 1
2076 CB CH3 0.00000 1
2077 C C 0.380 2
2078 O O -0.380 2
2079 [ bonds ]
2080 N H gb_2
2081 N CA gb_20
2082 CA C gb_26
2083 C O gb_4
2084 C +N gb_9
2085 CA CB gb_26
2086 [ angles ]
2087 ; ai aj ak gromos type
2088 -C N H ga_31
2089 H N CA ga_17
2090 -C N CA ga_30
2091 N CA C ga_12
2092 CA C +N ga_18
2093 CA C O ga_29
2094 O C +N ga_32
2095 N CA CB ga_12
2096 C CA CB ga_12
2097 [ impropers ]
2098 ; ai aj ak al gromos type
2099 N -C CA H gi_1
2100 C CA +N O gi_1
2101 CA C N CB gi_2
2102 [ dihedrals ]
2103 ; ai aj ak al gromos type
2104 -CA -C N CA gd_4
2105 -C N CA C gd_19
2106 N CA C +N gd_20
2108 [ ABU ]
2109 [ atoms ]
2110 N N -0.28000 0
2111 H H 0.28000 0
2112 CA CH1 0.00000 1
2113 CB CH2 0.00000 1
2114 CG CH3 0.00000 1
2115 C C 0.380 2
2116 O O -0.380 2
2117 [ bonds ]
2118 N H gb_2
2119 N CA gb_20
2120 CA C gb_26
2121 C O gb_4
2122 C +N gb_9
2123 CA CB gb_26
2124 CB CG gb_26
2125 [ angles ]
2126 ; ai aj ak gromos type
2127 -C N H ga_31
2128 H N CA ga_17
2129 -C N CA ga_30
2130 N CA C ga_12
2131 CA C +N ga_18
2132 CA C O ga_29
2133 O C +N ga_32
2134 N CA CB ga_12
2135 C CA CB ga_12
2136 CA CB CG ga_14
2137 [ impropers ]
2138 ; ai aj ak al gromos type
2139 N -C CA H gi_1
2140 C CA +N O gi_1
2141 CA N C CB gi_2
2142 [ dihedrals ]
2143 ; ai aj ak al gromos type
2144 -CA -C N CA gd_4
2145 -C N CA C gd_19
2146 N CA C +N gd_20
2147 N CA CB CG gd_17
2149 [ MEBMT ]
2150 [ atoms ]
2151 N N 0.00000 0
2152 CN CH3 0.00000 0
2153 CA CH1 0.00000 1
2154 CB CH1 0.15000 2
2155 OG1 OA -0.54800 2
2156 HG1 H 0.39800 2
2157 CG2 CH1 0.00000 3
2158 CD1 CH3 0.00000 3
2159 CD2 CH2 0.00000 3
2160 CE CR1 0.00000 4
2161 CZ CR1 0.00000 4
2162 CH CH3 0.00000 4
2163 C C 0.380 5
2164 O O -0.380 5
2165 [ bonds ]
2166 N CN gb_20
2167 N CA gb_20
2168 CA C gb_26
2169 C O gb_4
2170 C +N gb_9
2171 CA CB gb_26
2172 CB OG1 gb_17
2173 OG1 HG1 gb_1
2174 CB CG2 gb_26
2175 CG2 CD1 gb_26
2176 CG2 CD2 gb_26
2177 CD2 CE gb_26
2178 CE CZ gb_9
2179 CZ CH gb_26
2180 [ angles ]
2181 ; ai aj ak gromos type
2182 -C N CN ga_21
2183 CN N CA ga_29
2184 -C N CA ga_30
2185 N CA C ga_12
2186 CA C +N ga_18
2187 CA C O ga_29
2188 O C +N ga_32
2189 N CA CB ga_12
2190 C CA CB ga_12
2191 CA CB OG1 ga_12
2192 CA CB CG2 ga_14
2193 OG1 CB CG2 ga_14
2194 CB OG1 HG1 ga_11
2195 CB CG2 CD1 ga_14
2196 CB CG2 CD2 ga_14
2197 CD2 CG2 CD1 ga_14
2198 CG2 CD2 CE ga_14
2199 CD2 CE CZ ga_26
2200 CE CZ CH ga_26
2201 [ impropers ]
2202 ; ai aj ak al gromos type
2203 N -C CA CN gi_1
2204 C CA +N O gi_1
2205 CA N C CB gi_2
2206 CB OG1 CG2 CA gi_2
2207 CG2 CD1 CD2 CB gi_2
2208 [ dihedrals ]
2209 ; ai aj ak al gromos type
2210 -CA -C N CA gd_4
2211 -C N CA C gd_19
2212 N CA C +N gd_20
2213 N CA CB CG2 gd_17
2214 CA CB OG1 HG1 gd_12
2215 CA CB CG2 CD2 gd_17
2216 CB CG2 CD2 CE gd_17
2217 CG2 CD2 CE CZ gd_20
2218 CD2 CE CZ CH gd_4
2220 [ MELEU ]
2221 [ atoms ]
2222 N N 0.00000 0
2223 CN CH3 0.00000 0
2224 CA CH1 0.00000 1
2225 CB CH2 0.00000 1
2226 CG CH1 0.00000 2
2227 CD1 CH3 0.00000 2
2228 CD2 CH3 0.00000 2
2229 C C 0.380 3
2230 O O -0.380 3
2231 [ bonds ]
2232 N CN gb_20
2233 N CA gb_20
2234 CA C gb_26
2235 C O gb_4
2236 C +N gb_9
2237 CA CB gb_26
2238 CB CG gb_26
2239 CG CD1 gb_26
2240 CG CD2 gb_26
2241 [ angles ]
2242 ; ai aj ak gromos type
2243 -C N CN ga_21
2244 CN N CA ga_29
2245 -C N CA ga_30
2246 N CA C ga_12
2247 CA C +N ga_18
2248 CA C O ga_29
2249 O C +N ga_32
2250 N CA CB ga_12
2251 C CA CB ga_12
2252 CA CB CG ga_14
2253 CB CG CD1 ga_14
2254 CB CG CD2 ga_14
2255 CD1 CG CD2 ga_14
2256 [ impropers ]
2257 ; ai aj ak al gromos type
2258 N -C CA CN gi_1
2259 C CA +N O gi_1
2260 CA N C CB gi_2
2261 CG CD2 CD1 CB gi_2
2262 [ dihedrals ]
2263 ; ai aj ak al gromos type
2264 -CA -C N CA gd_4
2265 -C N CA C gd_19
2266 N CA C +N gd_20
2267 N CA CB CG gd_17
2268 CA CB CG CD1 gd_17
2270 [ MEVAL ]
2271 [ atoms ]
2272 N N 0.00000 0
2273 CN CH3 0.00000 0
2274 CA CH1 0.00000 1
2275 CB CH1 0.00000 1
2276 CG1 CH3 0.00000 1
2277 CG2 CH3 0.00000 1
2278 C C 0.380 2
2279 O O -0.380 2
2280 [ bonds ]
2281 N CN gb_20
2282 N CA gb_20
2283 CA C gb_26
2284 C O gb_4
2285 C +N gb_9
2286 CA CB gb_26
2287 CB CG1 gb_26
2288 CB CG2 gb_26
2289 [ angles ]
2290 ; ai aj ak gromos type
2291 -C N CN ga_21
2292 CN N CA ga_29
2293 -C N CA ga_30
2294 N CA C ga_12
2295 CA C +N ga_18
2296 CA C O ga_29
2297 O C +N ga_32
2298 N CA CB ga_12
2299 C CA CB ga_12
2300 CA CB CG1 ga_14
2301 CA CB CG2 ga_14
2302 CG1 CB CG2 ga_14
2303 [ impropers ]
2304 ; ai aj ak al gromos type
2305 N -C CA CN gi_1
2306 C CA +N O gi_1
2307 CA N C CB gi_2
2308 CB CG2 CG1 CA gi_2
2309 [ dihedrals ]
2310 ; ai aj ak al gromos type
2311 -CA -C N CA gd_4
2312 -C N CA C gd_19
2313 N CA C +N gd_20
2314 N CA CB CG1 gd_17
2316 [ SAR ]
2317 [ atoms ]
2318 N N 0.00000 0
2319 CN CH3 0.00000 0
2320 CA CH2 0.00000 1
2321 C C 0.380 2
2322 O O -0.380 2
2323 [ bonds ]
2324 N CN gb_20
2325 N CA gb_20
2326 CA C gb_26
2327 C O gb_4
2328 C +N gb_9
2329 [ angles ]
2330 ; ai aj ak gromos type
2331 -C N CN ga_21
2332 CN N CA ga_29
2333 -C N CA ga_30
2334 N CA C ga_12
2335 CA C +N ga_18
2336 CA C O ga_29
2337 O C +N ga_32
2338 [ impropers ]
2339 ; ai aj ak al gromos type
2340 N -C CA CN gi_1
2341 C CA +N O gi_1
2342 [ dihedrals ]
2343 ; ai aj ak al gromos type
2344 -CA -C N CA gd_4
2345 -C N CA C gd_19
2346 N CA C +N gd_20
2348 [ DADE ]
2349 [ atoms ]
2350 P P 0.99000 0
2351 O1P OM -0.63500 0
2352 O2P OM -0.63500 0
2353 O5* OA -0.36000 0
2354 C5* CH2 0.00000 1
2355 C4* CH1 0.16000 2
2356 O4* OA -0.36000 2
2357 C1* CH1 0.20000 2
2358 N9 NR -0.20000 3
2359 C4 C 0.20000 3
2360 N3 NR -0.36000 4
2361 C2 CR1 0.36000 4
2362 N1 NR -0.36000 5
2363 C6 C 0.36000 5
2364 N6 NT -0.83000 6
2365 H61 H 0.41500 6
2366 H62 H 0.41500 6
2367 C5 C 0.00000 7
2368 N7 NR -0.36000 7
2369 C8 CR1 0.36000 7
2370 C2* CH2 0.00000 8
2371 C3* CH1 0.000 8
2372 O3* OA -0.360 9
2373 [ bonds ]
2374 P O1P gb_23
2375 P O2P gb_23
2376 P O5* gb_27
2377 O5* C5* gb_19
2378 C5* C4* gb_25
2379 C4* O4* gb_19
2380 C4* C3* gb_25
2381 O4* C1* gb_19
2382 C1* N9 gb_21
2383 C1* C2* gb_25
2384 N9 C4 gb_9
2385 N9 C8 gb_9
2386 C4 N3 gb_11
2387 C4 C5 gb_15
2388 N3 C2 gb_6
2389 C2 N1 gb_6
2390 N1 C6 gb_11
2391 C6 N6 gb_8
2392 C6 C5 gb_15
2393 N6 H61 gb_2
2394 N6 H62 gb_2
2395 C5 N7 gb_9
2396 N7 C8 gb_9
2397 C2* C3* gb_25
2398 C3* O3* gb_19
2399 O3* +P gb_27
2400 [ exclusions ]
2401 ; ai aj
2402 C1* N3
2403 C1* C5
2404 C1* N7
2405 N9 C2
2406 N9 C6
2407 C4 N1
2408 C4 N6
2409 N3 C6
2410 N3 N7
2411 N3 C8
2412 C2 N6
2413 C2 C5
2414 N1 N7
2415 C6 C8
2416 N6 N7
2417 [ angles ]
2418 ; ai aj ak gromos type
2419 -O P O1P ga_13
2420 -O P O2P ga_13
2421 -O P O5* ga_4
2422 O1P P O2P ga_28
2423 O1P P O5* ga_13
2424 O2P P O5* ga_13
2425 P O5* C5* ga_25
2426 O5* C5* C4* ga_8
2427 C5* C4* O4* ga_8
2428 C5* C4* C3* ga_7
2429 O4* C4* C3* ga_8
2430 C4* O4* C1* ga_9
2431 O4* C1* N9 ga_8
2432 O4* C1* C2* ga_8
2433 N9 C1* C2* ga_8
2434 C1* N9 C4 ga_36
2435 C1* N9 C8 ga_36
2436 C4 N9 C8 ga_6
2437 N9 C4 N3 ga_38
2438 N9 C4 C5 ga_6
2439 N3 C4 C5 ga_26
2440 C4 N3 C2 ga_26
2441 N3 C2 N1 ga_26
2442 C2 N1 C6 ga_26
2443 N1 C6 N6 ga_26
2444 N1 C6 C5 ga_26
2445 N6 C6 C5 ga_26
2446 C6 N6 H61 ga_22
2447 C6 N6 H62 ga_22
2448 H61 N6 H62 ga_23
2449 C4 C5 C6 ga_26
2450 C4 C5 N7 ga_6
2451 C6 C5 N7 ga_38
2452 C5 N7 C8 ga_6
2453 N9 C8 N7 ga_6
2454 C1* C2* C3* ga_7
2455 C4* C3* C2* ga_7
2456 C4* C3* O3* ga_8
2457 C2* C3* O3* ga_8
2458 C3* O3* +P ga_25
2459 [ impropers ]
2460 ; ai aj ak al gromos type
2461 C4* O4* C5* C3* gi_2
2462 C3* C2* O3* C4* gi_2
2463 C1* N9 O4* C2* gi_2
2464 N9 C8 C4 C1* gi_1
2465 C4 N9 C8 N7 gi_1
2466 C8 N9 C4 C5 gi_1
2467 N9 C8 N7 C5 gi_1
2468 N9 C4 C5 N7 gi_1
2469 C8 N7 C5 C4 gi_1
2470 C4 N9 N3 C5 gi_1
2471 C5 C6 N7 C4 gi_1
2472 N3 C4 C5 C6 gi_1
2473 C4 C5 C6 N1 gi_1
2474 C5 C4 N3 C2 gi_1
2475 C5 C6 N1 C2 gi_1
2476 C4 N3 C2 N1 gi_1
2477 N3 C2 N1 C6 gi_1
2478 C6 C5 N1 N6 gi_1
2479 N6 H61 H62 C6 gi_1
2480 [ dihedrals ]
2481 ; ai aj ak al gromos type
2482 -C -O P O5* gd_11
2483 -C -O P O5* gd_9
2484 -O P O5* C5* gd_11
2485 -O P O5* C5* gd_9
2486 P O5* C5* C4* gd_14
2487 O5* C5* C4* C3* gd_17
2488 O5* C5* C4* C3* gd_7
2489 O5* C5* C4* O4* gd_8
2490 C5* C4* C3* C2* gd_17
2491 C5* C4* C3* O3* gd_7
2492 O4* C4* C3* C2* gd_7
2493 O4* C4* C3* O3* gd_8
2494 C4* C3* C2* C1* gd_17
2495 O3* C3* C2* C1* gd_7
2496 C3* C2* C1* O4* gd_17
2497 C3* C2* C1* O4* gd_7
2498 C3* C4* O4* C1* gd_14
2499 C4* O4* C1* C2* gd_14
2500 O4* C1* N9 C4 gd_6
2501 C5 C6 N6 H61 gd_4
2502 C4* C3* O3* +P gd_14
2504 [ DGUA ]
2505 [ atoms ]
2506 P P 0.99000 0
2507 O1P OM -0.63500 0
2508 O2P OM -0.63500 0
2509 O5* OA -0.36000 0
2510 C5* CH2 0.00000 1
2511 C4* CH1 0.16000 2
2512 O4* OA -0.36000 2
2513 C1* CH1 0.20000 2
2514 N9 NR -0.20000 3
2515 C4 C 0.20000 3
2516 N3 NR -0.36000 4
2517 C2 C 0.36000 4
2518 N2 NT -0.83000 5
2519 H21 H 0.41500 5
2520 H22 H 0.41500 5
2521 N1 NR -0.28000 6
2522 H1 H 0.28000 6
2523 C6 C 0.38000 7
2524 O6 O -0.38000 7
2525 C5 C 0.00000 8
2526 N7 NR -0.36000 8
2527 C8 CR1 0.36000 8
2528 C2* CH2 0.00000 9
2529 C3* CH1 0.000 9
2530 O3* OA -0.360 10
2531 [ bonds ]
2532 P O1P gb_23
2533 P O2P gb_23
2534 P O5* gb_27
2535 O5* C5* gb_19
2536 C5* C4* gb_25
2537 C4* O4* gb_19
2538 C4* C3* gb_25
2539 O4* C1* gb_19
2540 C1* N9 gb_21
2541 C1* C2* gb_25
2542 N9 C4 gb_9
2543 N9 C8 gb_9
2544 C4 N3 gb_11
2545 C4 C5 gb_15
2546 N3 C2 gb_11
2547 C2 N2 gb_8
2548 C2 N1 gb_16
2549 N2 H21 gb_2
2550 N2 H22 gb_2
2551 N1 H1 gb_2
2552 N1 C6 gb_16
2553 C6 O6 gb_4
2554 C6 C5 gb_15
2555 C5 N7 gb_9
2556 N7 C8 gb_9
2557 C2* C3* gb_25
2558 C3* O3* gb_19
2559 O3* +P gb_27
2560 [ exclusions ]
2561 ; ai aj
2562 C1* N3
2563 C1* C5
2564 C1* N7
2565 N9 C2
2566 N9 C6
2567 C4 N2
2568 C4 N1
2569 C4 O6
2570 N3 H1
2571 N3 C6
2572 N3 N7
2573 N3 C8
2574 C2 O6
2575 C2 C5
2576 N2 H1
2577 N2 C6
2578 N1 N7
2579 H1 O6
2580 H1 C5
2581 C6 C8
2582 O6 N7
2583 [ angles ]
2584 ; ai aj ak gromos type
2585 -O P O1P ga_13
2586 -O P O2P ga_13
2587 -O P O5* ga_4
2588 O1P P O2P ga_28
2589 O1P P O5* ga_13
2590 O2P P O5* ga_13
2591 P O5* C5* ga_25
2592 O5* C5* C4* ga_8
2593 C5* C4* O4* ga_8
2594 C5* C4* C3* ga_7
2595 O4* C4* C3* ga_8
2596 C4* O4* C1* ga_9
2597 O4* C1* N9 ga_8
2598 O4* C1* C2* ga_8
2599 N9 C1* C2* ga_8
2600 C1* N9 C4 ga_36
2601 C1* N9 C8 ga_36
2602 C4 N9 C8 ga_6
2603 N9 C4 N3 ga_38
2604 N9 C4 C5 ga_6
2605 N3 C4 C5 ga_26
2606 C4 N3 C2 ga_26
2607 N3 C2 N2 ga_26
2608 N3 C2 N1 ga_26
2609 N2 C2 N1 ga_26
2610 C2 N2 H21 ga_22
2611 C2 N2 H22 ga_22
2612 H21 N2 H22 ga_23
2613 C2 N1 H1 ga_24
2614 C2 N1 C6 ga_26
2615 H1 N1 C6 ga_24
2616 N1 C6 O6 ga_26
2617 N1 C6 C5 ga_26
2618 O6 C6 C5 ga_26
2619 C4 C5 C6 ga_26
2620 C4 C5 N7 ga_6
2621 C6 C5 N7 ga_38
2622 C5 N7 C8 ga_6
2623 N9 C8 N7 ga_6
2624 C1* C2* C3* ga_7
2625 C4* C3* C2* ga_7
2626 C4* C3* O3* ga_8
2627 C2* C3* O3* ga_8
2628 C3* O3* +P ga_25
2629 [ impropers ]
2630 ; ai aj ak al gromos type
2631 C4* O4* C5* C3* gi_2
2632 C3* C2* O3* C4* gi_2
2633 C1* N9 O4* C2* gi_2
2634 N9 C8 C4 C1* gi_1
2635 C4 N9 C8 N7 gi_1
2636 C8 N9 C4 C5 gi_1
2637 N9 C8 N7 C5 gi_1
2638 N9 C4 C5 N7 gi_1
2639 C8 N7 C5 C4 gi_1
2640 C4 N9 N3 C5 gi_1
2641 C5 C6 N7 C4 gi_1
2642 N3 C4 C5 C6 gi_1
2643 C4 C5 C6 N1 gi_1
2644 C5 C4 N3 C2 gi_1
2645 C5 C6 N1 C2 gi_1
2646 C4 N3 C2 N1 gi_1
2647 N3 C2 N1 C6 gi_1
2648 C2 N1 N3 N2 gi_1
2649 N2 H21 H22 C2 gi_1
2650 N1 C6 C2 H1 gi_1
2651 C6 C5 N1 O6 gi_1
2652 [ dihedrals ]
2653 ; ai aj ak al gromos type
2654 -C -O P O5* gd_11
2655 -C -O P O5* gd_9
2656 -O P O5* C5* gd_11
2657 -O P O5* C5* gd_9
2658 P O5* C5* C4* gd_14
2659 O5* C5* C4* C3* gd_17
2660 O5* C5* C4* C3* gd_7
2661 O5* C5* C4* O4* gd_8
2662 C5* C4* C3* C2* gd_17
2663 C5* C4* C3* O3* gd_7
2664 O4* C4* C3* C2* gd_7
2665 O4* C4* C3* O3* gd_8
2666 C4* C3* C2* C1* gd_17
2667 O3* C3* C2* C1* gd_7
2668 C3* C2* C1* O4* gd_17
2669 C3* C2* C1* O4* gd_7
2670 C3* C4* O4* C1* gd_14
2671 C4* O4* C1* C2* gd_14
2672 O4* C1* N9 C4 gd_6
2673 N3 C2 N2 H21 gd_4
2674 C4* C3* O3* +P gd_14
2676 [ DCYT ]
2677 [ atoms ]
2678 P P 0.99000 0
2679 O1P OM -0.63500 0
2680 O2P OM -0.63500 0
2681 O5* OA -0.36000 0
2682 C5* CH2 0.00000 1
2683 C4* CH1 0.16000 2
2684 O4* OA -0.36000 2
2685 C1* CH1 0.20000 2
2686 N1 NR -0.20000 3
2687 C6 CR1 0.20000 3
2688 C2 C 0.38000 4
2689 O2 O -0.38000 4
2690 N3 NR -0.36000 5
2691 C4 C 0.36000 5
2692 N4 NT -0.83000 6
2693 H41 H 0.41500 6
2694 H42 H 0.41500 6
2695 C5 CR1 0.00000 7
2696 C2* CH2 0.00000 8
2697 C3* CH1 0.000 8
2698 O3* OA -0.360 9
2699 [ bonds ]
2700 P O1P gb_23
2701 P O2P gb_23
2702 P O5* gb_27
2703 O5* C5* gb_19
2704 C5* C4* gb_25
2705 C4* O4* gb_19
2706 C4* C3* gb_25
2707 O4* C1* gb_19
2708 C1* N1 gb_22
2709 C1* C2* gb_25
2710 N1 C6 gb_16
2711 N1 C2 gb_16
2712 C6 C5 gb_15
2713 C2 O2 gb_4
2714 C2 N3 gb_11
2715 N3 C4 gb_11
2716 C4 N4 gb_8
2717 C4 C5 gb_15
2718 N4 H41 gb_2
2719 N4 H42 gb_2
2720 C2* C3* gb_25
2721 C3* O3* gb_19
2722 O3* +P gb_27
2723 [ exclusions ]
2724 ; ai aj
2725 C1* O2
2726 C1* N3
2727 C1* C5
2728 N1 C4
2729 C6 O2
2730 C6 N3
2731 C6 N4
2732 C2 N4
2733 C2 C5
2734 O2 C4
2735 [ angles ]
2736 ; ai aj ak gromos type
2737 -O P O1P ga_13
2738 -O P O2P ga_13
2739 -O P O5* ga_4
2740 O1P P O2P ga_28
2741 O1P P O5* ga_13
2742 O2P P O5* ga_13
2743 P O5* C5* ga_25
2744 O5* C5* C4* ga_8
2745 C5* C4* O4* ga_8
2746 C5* C4* C3* ga_7
2747 O4* C4* C3* ga_8
2748 C4* O4* C1* ga_9
2749 O4* C1* N1 ga_8
2750 O4* C1* C2* ga_8
2751 N1 C1* C2* ga_7
2752 C1* N1 C6 ga_26
2753 C1* N1 C2 ga_26
2754 C6 N1 C2 ga_26
2755 N1 C6 C5 ga_26
2756 N1 C2 O2 ga_26
2757 N1 C2 N3 ga_26
2758 O2 C2 N3 ga_26
2759 C2 N3 C4 ga_26
2760 N3 C4 N4 ga_26
2761 N3 C4 C5 ga_26
2762 N4 C4 C5 ga_26
2763 C4 N4 H41 ga_22
2764 C4 N4 H42 ga_22
2765 H41 N4 H42 ga_23
2766 C6 C5 C4 ga_26
2767 C1* C2* C3* ga_7
2768 C4* C3* C2* ga_7
2769 C4* C3* O3* ga_8
2770 C2* C3* O3* ga_8
2771 C3* O3* +P ga_25
2772 [ impropers ]
2773 ; ai aj ak al gromos type
2774 C4* O4* C5* C3* gi_2
2775 C3* C2* O3* C4* gi_2
2776 C1* N1 O4* C2* gi_2
2777 N1 C6 C2 C1* gi_1
2778 C2 N1 C6 C5 gi_1
2779 C6 N1 C2 N3 gi_1
2780 N1 C6 C5 C4 gi_1
2781 N1 C2 N3 C4 gi_1
2782 C6 C5 C4 N3 gi_1
2783 C2 N3 C4 C5 gi_1
2784 C2 N3 N1 O2 gi_1
2785 C4 C5 N3 N4 gi_1
2786 N4 H41 H42 C4 gi_1
2787 [ dihedrals ]
2788 ; ai aj ak al gromos type
2789 -C -O P O5* gd_11
2790 -C -O P O5* gd_9
2791 -O P O5* C5* gd_11
2792 -O P O5* C5* gd_9
2793 P O5* C5* C4* gd_14
2794 O5* C5* C4* C3* gd_17
2795 O5* C5* C4* C3* gd_7
2796 O5* C5* C4* O4* gd_8
2797 C5* C4* C3* C2* gd_17
2798 C5* C4* C3* O3* gd_7
2799 O4* C4* C3* C2* gd_7
2800 O4* C4* C3* O3* gd_8
2801 C4* C3* C2* C1* gd_17
2802 O3* C3* C2* C1* gd_7
2803 C3* C2* C1* O4* gd_17
2804 C3* C2* C1* O4* gd_7
2805 C3* C4* O4* C1* gd_14
2806 C4* O4* C1* C2* gd_14
2807 O4* C1* N1 C2 gd_6
2808 N3 C4 N4 H41 gd_4
2809 C4* C3* O3* +P gd_14
2811 [ DTHY ]
2812 [ atoms ]
2813 P P 0.99000 0
2814 O1P OM -0.63500 0
2815 O2P OM -0.63500 0
2816 O5* OA -0.36000 0
2817 C5* CH2 0.00000 1
2818 C4* CH1 0.16000 2
2819 O4* OA -0.36000 2
2820 C1* CH1 0.20000 2
2821 N1 NR -0.20000 3
2822 C6 CR1 0.20000 3
2823 C2 C 0.38000 4
2824 O2 O -0.38000 4
2825 N3 NR -0.28000 5
2826 H3 H 0.28000 5
2827 C4 C 0.38000 6
2828 O4 O -0.38000 6
2829 C5 C 0.00000 7
2830 C5M CH3 0.00000 7
2831 C2* CH2 0.00000 8
2832 C3* CH1 0.000 8
2833 O3* OA -0.360 9
2834 [ bonds ]
2835 P O1P gb_23
2836 P O2P gb_23
2837 P O5* gb_27
2838 O5* C5* gb_19
2839 C5* C4* gb_25
2840 C4* O4* gb_19
2841 C4* C3* gb_25
2842 O4* C1* gb_19
2843 C1* N1 gb_22
2844 C1* C2* gb_25
2845 N1 C6 gb_16
2846 N1 C2 gb_16
2847 C6 C5 gb_15
2848 C2 O2 gb_4
2849 C2 N3 gb_16
2850 N3 H3 gb_2
2851 N3 C4 gb_16
2852 C4 O4 gb_4
2853 C4 C5 gb_15
2854 C5 C5M gb_26
2855 C2* C3* gb_25
2856 C3* O3* gb_19
2857 O3* +P gb_27
2858 [ exclusions ]
2859 ; ai aj
2860 C1* O2
2861 C1* N3
2862 C1* C5
2863 N1 H3
2864 N1 C4
2865 N1 C5M
2866 C6 O2
2867 C6 N3
2868 C6 O4
2869 C2 O4
2870 C2 C5
2871 O2 H3
2872 O2 C4
2873 N3 C5M
2874 H3 O4
2875 H3 C5
2876 O4 C5M
2877 [ angles ]
2878 ; ai aj ak gromos type
2879 -O P O1P ga_13
2880 -O P O2P ga_13
2881 -O P O5* ga_4
2882 O1P P O2P ga_28
2883 O1P P O5* ga_13
2884 O2P P O5* ga_13
2885 P O5* C5* ga_25
2886 O5* C5* C4* ga_8
2887 C5* C4* O4* ga_8
2888 C5* C4* C3* ga_7
2889 O4* C4* C3* ga_8
2890 C4* O4* C1* ga_9
2891 O4* C1* N1 ga_8
2892 O4* C1* C2* ga_8
2893 N1 C1* C2* ga_7
2894 C1* N1 C6 ga_26
2895 C1* N1 C2 ga_26
2896 C6 N1 C2 ga_26
2897 N1 C6 C5 ga_26
2898 N1 C2 O2 ga_26
2899 N1 C2 N3 ga_26
2900 O2 C2 N3 ga_26
2901 C2 N3 H3 ga_24
2902 C2 N3 C4 ga_26
2903 H3 N3 C4 ga_24
2904 N3 C4 O4 ga_26
2905 N3 C4 C5 ga_26
2906 O4 C4 C5 ga_26
2907 C6 C5 C4 ga_26
2908 C6 C5 C5M ga_26
2909 C4 C5 C5M ga_26
2910 C1* C2* C3* ga_7
2911 C4* C3* C2* ga_7
2912 C4* C3* O3* ga_8
2913 C2* C3* O3* ga_8
2914 C3* O3* +P ga_25
2915 [ impropers ]
2916 ; ai aj ak al gromos type
2917 C4* O4* C5* C3* gi_2
2918 C3* C2* O3* C4* gi_2
2919 C1* N1 O4* C2* gi_2
2920 N1 C6 C2 C1* gi_1
2921 C2 N1 C6 C5 gi_1
2922 C6 N1 C2 N3 gi_1
2923 N1 C6 C5 C4 gi_1
2924 N1 C2 N3 C4 gi_1
2925 C6 C5 C4 N3 gi_1
2926 C2 N3 C4 C5 gi_1
2927 C2 N3 N1 O2 gi_1
2928 N3 C4 C2 H3 gi_1
2929 C4 C5 N3 O4 gi_1
2930 C5 C6 C4 C5M gi_1
2931 [ dihedrals ]
2932 ; ai aj ak al gromos type
2933 -C -O P O5* gd_11
2934 -C -O P O5* gd_9
2935 -O P O5* C5* gd_11
2936 -O P O5* C5* gd_9
2937 P O5* C5* C4* gd_14
2938 O5* C5* C4* C3* gd_17
2939 O5* C5* C4* C3* gd_7
2940 O5* C5* C4* O4* gd_8
2941 C5* C4* C3* C2* gd_17
2942 C5* C4* C3* O3* gd_7
2943 O4* C4* C3* C2* gd_7
2944 O4* C4* C3* O3* gd_8
2945 C4* C3* C2* C1* gd_17
2946 O3* C3* C2* C1* gd_7
2947 C3* C2* C1* O4* gd_17
2948 C3* C2* C1* O4* gd_7
2949 C3* C4* O4* C1* gd_14
2950 C4* O4* C1* C2* gd_14
2951 O4* C1* N1 C2 gd_6
2952 C4* C3* O3* +P gd_14
2954 [ ADE ]
2955 [ atoms ]
2956 P P 0.99000 0
2957 O1P OM -0.63500 0
2958 O2P OM -0.63500 0
2959 O5* OA -0.36000 0
2960 C5* CH2 0.00000 1
2961 C4* CH1 0.16000 2
2962 O4* OA -0.36000 2
2963 C1* CH1 0.20000 2
2964 N9 NR -0.20000 3
2965 C4 C 0.20000 3
2966 N3 NR -0.36000 4
2967 C2 CR1 0.36000 4
2968 N1 NR -0.36000 5
2969 C6 C 0.36000 5
2970 N6 NT -0.83000 6
2971 H61 H 0.41500 6
2972 H62 H 0.41500 6
2973 C5 C 0.00000 7
2974 N7 NR -0.36000 7
2975 C8 CR1 0.36000 7
2976 C2* CH1 0.15000 8
2977 O2* OA -0.54800 8
2978 H2* H 0.39800 8
2979 C3* CH1 0.000 9
2980 O3* OA -0.360 10
2981 [ bonds ]
2982 P O1P gb_23
2983 P O2P gb_23
2984 P O5* gb_27
2985 O5* C5* gb_19
2986 C5* C4* gb_25
2987 C4* O4* gb_19
2988 C4* C3* gb_25
2989 O4* C1* gb_19
2990 C1* N9 gb_21
2991 C1* C2* gb_25
2992 N9 C4 gb_9
2993 N9 C8 gb_9
2994 C4 N3 gb_11
2995 C4 C5 gb_15
2996 N3 C2 gb_6
2997 C2 N1 gb_6
2998 N1 C6 gb_11
2999 C6 N6 gb_8
3000 C6 C5 gb_15
3001 N6 H61 gb_2
3002 N6 H62 gb_2
3003 C5 N7 gb_9
3004 N7 C8 gb_9
3005 C2* O2* gb_19
3006 O2* H2* gb_1
3007 C2* C3* gb_25
3008 C3* O3* gb_19
3009 O3* +P gb_27
3010 [ exclusions ]
3011 ; ai aj
3012 C1* N3
3013 C1* C5
3014 C1* N7
3015 N9 C2
3016 N9 C6
3017 C4 N1
3018 C4 N6
3019 N3 C6
3020 N3 N7
3021 N3 C8
3022 C2 N6
3023 C2 C5
3024 N1 N7
3025 C6 C8
3026 N6 N7
3027 [ angles ]
3028 ; ai aj ak gromos type
3029 -O P O1P ga_13
3030 -O P O2P ga_13
3031 -O P O5* ga_4
3032 O1P P O2P ga_28
3033 O1P P O5* ga_13
3034 O2P P O5* ga_13
3035 P O5* C5* ga_25
3036 O5* C5* C4* ga_8
3037 C5* C4* O4* ga_8
3038 C5* C4* C3* ga_7
3039 O4* C4* C3* ga_8
3040 C4* O4* C1* ga_9
3041 O4* C1* N9 ga_8
3042 O4* C1* C2* ga_8
3043 N9 C1* C2* ga_8
3044 C1* N9 C4 ga_36
3045 C1* N9 C8 ga_36
3046 C4 N9 C8 ga_6
3047 N9 C4 N3 ga_38
3048 N9 C4 C5 ga_6
3049 N3 C4 C5 ga_26
3050 C4 N3 C2 ga_26
3051 N3 C2 N1 ga_26
3052 C2 N1 C6 ga_26
3053 N1 C6 N6 ga_26
3054 N1 C6 C5 ga_26
3055 N6 C6 C5 ga_26
3056 C6 N6 H61 ga_22
3057 C6 N6 H62 ga_22
3058 H61 N6 H62 ga_23
3059 C4 C5 C6 ga_26
3060 C4 C5 N7 ga_6
3061 C6 C5 N7 ga_38
3062 C5 N7 C8 ga_6
3063 N9 C8 N7 ga_6
3064 C1* C2* C3* ga_7
3065 C1* C2* O2* ga_8
3066 O2* C2* C3* ga_8
3067 C2* O2* H2* ga_11
3068 C4* C3* C2* ga_7
3069 C4* C3* O3* ga_8
3070 C2* C3* O3* ga_8
3071 C3* O3* +P ga_25
3072 [ impropers ]
3073 ; ai aj ak al gromos type
3074 C4* O4* C5* C3* gi_2
3075 C3* C2* O3* C4* gi_2
3076 C1* N9 O4* C2* gi_2
3077 N9 C8 C4 C1* gi_1
3078 C4 N9 C8 N7 gi_1
3079 C8 N9 C4 C5 gi_1
3080 N9 C8 N7 C5 gi_1
3081 N9 C4 C5 N7 gi_1
3082 C8 N7 C5 C4 gi_1
3083 C4 N9 N3 C5 gi_1
3084 C5 C6 N7 C4 gi_1
3085 N3 C4 C5 C6 gi_1
3086 C4 C5 C6 N1 gi_1
3087 C5 C4 N3 C2 gi_1
3088 C5 C6 N1 C2 gi_1
3089 C4 N3 C2 N1 gi_1
3090 N3 C2 N1 C6 gi_1
3091 C6 C5 N1 N6 gi_1
3092 N6 H61 H62 C6 gi_1
3093 C2* O2* C3* C1* gi_2
3094 [ dihedrals ]
3095 ; ai aj ak al gromos type
3096 -C -O P O5* gd_11
3097 -C -O P O5* gd_9
3098 -O P O5* C5* gd_11
3099 -O P O5* C5* gd_9
3100 P O5* C5* C4* gd_14
3101 O5* C5* C4* C3* gd_17
3102 O5* C5* C4* C3* gd_7
3103 O5* C5* C4* O4* gd_8
3104 C5* C4* C3* C2* gd_17
3105 C5* C4* C3* O3* gd_7
3106 O4* C4* C3* C2* gd_7
3107 O4* C4* C3* O3* gd_8
3108 C4* C3* C2* C1* gd_17
3109 O3* C3* C2* C1* gd_7
3110 C4* C3* C2* O2* gd_7
3111 O3* C3* C2* O2* gd_8
3112 C3* C2* C1* O4* gd_17
3113 C3* C2* C1* O4* gd_7
3114 O2* C2* C1* N9 gd_7
3115 O2* C2* C1* O4* gd_8
3116 C1* C2* O2* H2* gd_12
3117 C3* C4* O4* C1* gd_14
3118 C4* O4* C1* C2* gd_14
3119 O4* C1* N9 C4 gd_6
3120 C5 C6 N6 H61 gd_4
3121 C4* C3* O3* +P gd_14
3123 [ GUA ]
3124 [ atoms ]
3125 P P 0.99000 0
3126 O1P OM -0.63500 0
3127 O2P OM -0.63500 0
3128 O5* OA -0.36000 0
3129 C5* CH2 0.00000 1
3130 C4* CH1 0.16000 2
3131 O4* OA -0.36000 2
3132 C1* CH1 0.20000 2
3133 N9 NR -0.20000 3
3134 C4 C 0.20000 3
3135 N3 NR -0.36000 4
3136 C2 C 0.36000 4
3137 N2 NT -0.83000 5
3138 H21 H 0.41500 5
3139 H22 H 0.41500 5
3140 N1 NR -0.28000 6
3141 H1 H 0.28000 6
3142 C6 C 0.38000 7
3143 O6 O -0.38000 7
3144 C5 C 0.00000 8
3145 N7 NR -0.36000 8
3146 C8 CR1 0.36000 8
3147 C2* CH1 0.15000 9
3148 O2* OA -0.54800 9
3149 H2* H 0.39800 9
3150 C3* CH1 0.000 10
3151 O3* OA -0.360 11
3152 [ bonds ]
3153 P O1P gb_23
3154 P O2P gb_23
3155 P O5* gb_27
3156 O5* C5* gb_19
3157 C5* C4* gb_25
3158 C4* O4* gb_19
3159 C4* C3* gb_25
3160 O4* C1* gb_19
3161 C1* N9 gb_21
3162 C1* C2* gb_25
3163 N9 C4 gb_9
3164 N9 C8 gb_9
3165 C4 N3 gb_11
3166 C4 C5 gb_15
3167 N3 C2 gb_11
3168 C2 N2 gb_8
3169 C2 N1 gb_16
3170 N2 H21 gb_2
3171 N2 H22 gb_2
3172 N1 H1 gb_2
3173 N1 C6 gb_16
3174 C6 O6 gb_4
3175 C6 C5 gb_15
3176 C5 N7 gb_9
3177 N7 C8 gb_9
3178 C2* O2* gb_19
3179 O2* H2* gb_1
3180 C2* C3* gb_25
3181 C3* O3* gb_19
3182 O3* +P gb_27
3183 [ exclusions ]
3184 ; ai aj
3185 C1* N3
3186 C1* C5
3187 C1* N7
3188 N9 C2
3189 N9 C6
3190 C4 N2
3191 C4 N1
3192 C4 O6
3193 N3 H1
3194 N3 C6
3195 N3 N7
3196 N3 C8
3197 C2 O6
3198 C2 C5
3199 N2 H1
3200 N2 C6
3201 N1 N7
3202 H1 O6
3203 H1 C5
3204 C6 C8
3205 O6 N7
3206 [ angles ]
3207 ; ai aj ak gromos type
3208 -O P O1P ga_13
3209 -O P O2P ga_13
3210 -O P O5* ga_4
3211 O1P P O2P ga_28
3212 O1P P O5* ga_13
3213 O2P P O5* ga_13
3214 P O5* C5* ga_25
3215 O5* C5* C4* ga_8
3216 C5* C4* O4* ga_8
3217 C5* C4* C3* ga_7
3218 O4* C4* C3* ga_8
3219 C4* O4* C1* ga_9
3220 O4* C1* N9 ga_8
3221 O4* C1* C2* ga_8
3222 N9 C1* C2* ga_8
3223 C1* N9 C4 ga_36
3224 C1* N9 C8 ga_36
3225 C4 N9 C8 ga_6
3226 N9 C4 N3 ga_38
3227 N9 C4 C5 ga_6
3228 N3 C4 C5 ga_26
3229 C4 N3 C2 ga_26
3230 N3 C2 N2 ga_26
3231 N3 C2 N1 ga_26
3232 N2 C2 N1 ga_26
3233 C2 N2 H21 ga_22
3234 C2 N2 H22 ga_22
3235 H21 N2 H22 ga_23
3236 C2 N1 H1 ga_24
3237 C2 N1 C6 ga_26
3238 H1 N1 C6 ga_24
3239 N1 C6 O6 ga_26
3240 N1 C6 C5 ga_26
3241 O6 C6 C5 ga_26
3242 C4 C5 C6 ga_26
3243 C4 C5 N7 ga_6
3244 C6 C5 N7 ga_38
3245 C5 N7 C8 ga_6
3246 N9 C8 N7 ga_6
3247 C1* C2* C3* ga_7
3248 C1* C2* O2* ga_8
3249 O2* C2* C3* ga_8
3250 C2* O2* H2* ga_11
3251 C4* C3* C2* ga_7
3252 C4* C3* O3* ga_8
3253 C2* C3* O3* ga_8
3254 C3* O3* +P ga_25
3255 [ impropers ]
3256 ; ai aj ak al gromos type
3257 C4* O4* C5* C3* gi_2
3258 C3* C2* O3* C4* gi_2
3259 C1* N9 O4* C2* gi_2
3260 N9 C8 C4 C1* gi_1
3261 C4 N9 C8 N7 gi_1
3262 C8 N9 C4 C5 gi_1
3263 N9 C8 N7 C5 gi_1
3264 N9 C4 C5 N7 gi_1
3265 C8 N7 C5 C4 gi_1
3266 C4 N9 N3 C5 gi_1
3267 C5 C6 N7 C4 gi_1
3268 N3 C4 C5 C6 gi_1
3269 C4 C5 C6 N1 gi_1
3270 C5 C4 N3 C2 gi_1
3271 C5 C6 N1 C2 gi_1
3272 C4 N3 C2 N1 gi_1
3273 N3 C2 N1 C6 gi_1
3274 C2 N1 N3 N2 gi_1
3275 N2 H21 H22 C2 gi_1
3276 N1 C6 C2 H1 gi_1
3277 C6 C5 N1 O6 gi_1
3278 C2* O2* C3* C1* gi_2
3279 [ dihedrals ]
3280 ; ai aj ak al gromos type
3281 -C -O P O5* gd_11
3282 -C -O P O5* gd_9
3283 -O P O5* C5* gd_11
3284 -O P O5* C5* gd_9
3285 P O5* C5* C4* gd_14
3286 O5* C5* C4* C3* gd_17
3287 O5* C5* C4* C3* gd_7
3288 O5* C5* C4* O4* gd_8
3289 C5* C4* C3* C2* gd_17
3290 C5* C4* C3* O3* gd_7
3291 O4* C4* C3* C2* gd_7
3292 O4* C4* C3* O3* gd_8
3293 C4* C3* C2* C1* gd_17
3294 O3* C3* C2* C1* gd_7
3295 C4* C3* C2* O2* gd_7
3296 O3* C3* C2* O2* gd_8
3297 C3* C2* C1* O4* gd_17
3298 C3* C2* C1* O4* gd_7
3299 O2* C2* C1* N9 gd_7
3300 O2* C2* C1* O4* gd_8
3301 C1* C2* O2* H2* gd_12
3302 C3* C4* O4* C1* gd_14
3303 C4* O4* C1* C2* gd_14
3304 O4* C1* N9 C4 gd_6
3305 N3 C2 N2 H21 gd_4
3306 C4* C3* O3* +P gd_14
3308 [ CYT ]
3309 [ atoms ]
3310 P P 0.99000 0
3311 O1P OM -0.63500 0
3312 O2P OM -0.63500 0
3313 O5* OA -0.36000 0
3314 C5* CH2 0.00000 1
3315 C4* CH1 0.16000 2
3316 O4* OA -0.36000 2
3317 C1* CH1 0.20000 2
3318 N1 NR -0.20000 3
3319 C6 CR1 0.20000 3
3320 C2 C 0.38000 4
3321 O2 O -0.38000 4
3322 N3 NR -0.36000 5
3323 C4 C 0.36000 5
3324 N4 NT -0.83000 6
3325 H41 H 0.41500 6
3326 H42 H 0.41500 6
3327 C5 CR1 0.00000 7
3328 C2* CH1 0.15000 8
3329 O2* OA -0.54800 8
3330 H2* H 0.39800 8
3331 C3* CH1 0.000 9
3332 O3* OA -0.360 10
3333 [ bonds ]
3334 P O1P gb_23
3335 P O2P gb_23
3336 P O5* gb_27
3337 O5* C5* gb_19
3338 C5* C4* gb_25
3339 C4* O4* gb_19
3340 C4* C3* gb_25
3341 O4* C1* gb_19
3342 C1* N1 gb_22
3343 C1* C2* gb_25
3344 N1 C6 gb_16
3345 N1 C2 gb_16
3346 C6 C5 gb_15
3347 C2 O2 gb_4
3348 C2 N3 gb_11
3349 N3 C4 gb_11
3350 C4 N4 gb_8
3351 C4 C5 gb_15
3352 N4 H41 gb_2
3353 N4 H42 gb_2
3354 C2* O2* gb_19
3355 O2* H2* gb_1
3356 C2* C3* gb_25
3357 C3* O3* gb_19
3358 O3* +P gb_27
3359 [ exclusions ]
3360 ; ai aj
3361 C1* O2
3362 C1* N3
3363 C1* C5
3364 N1 C4
3365 C6 O2
3366 C6 N3
3367 C6 N4
3368 C2 N4
3369 C2 C5
3370 O2 C4
3371 [ angles ]
3372 ; ai aj ak gromos type
3373 -O P O1P ga_13
3374 -O P O2P ga_13
3375 -O P O5* ga_4
3376 O1P P O2P ga_28
3377 O1P P O5* ga_13
3378 O2P P O5* ga_13
3379 P O5* C5* ga_25
3380 O5* C5* C4* ga_8
3381 C5* C4* O4* ga_8
3382 C5* C4* C3* ga_7
3383 O4* C4* C3* ga_8
3384 C4* O4* C1* ga_9
3385 O4* C1* N1 ga_8
3386 O4* C1* C2* ga_8
3387 N1 C1* C2* ga_7
3388 C1* N1 C6 ga_26
3389 C1* N1 C2 ga_26
3390 C6 N1 C2 ga_26
3391 N1 C6 C5 ga_26
3392 N1 C2 O2 ga_26
3393 N1 C2 N3 ga_26
3394 O2 C2 N3 ga_26
3395 C2 N3 C4 ga_26
3396 N3 C4 N4 ga_26
3397 N3 C4 C5 ga_26
3398 N4 C4 C5 ga_26
3399 C4 N4 H41 ga_22
3400 C4 N4 H42 ga_22
3401 H41 N4 H42 ga_23
3402 C6 C5 C4 ga_26
3403 C1* C2* C3* ga_7
3404 C1* C2* O2* ga_8
3405 O2* C2* C3* ga_8
3406 C2* O2* H2* ga_11
3407 C4* C3* C2* ga_7
3408 C4* C3* O3* ga_8
3409 C2* C3* O3* ga_8
3410 C3* O3* +P ga_25
3411 [ impropers ]
3412 ; ai aj ak al gromos type
3413 C4* O4* C5* C3* gi_2
3414 C3* C2* O3* C4* gi_2
3415 C1* N1 O4* C2* gi_2
3416 N1 C6 C2 C1* gi_1
3417 C2 N1 C6 C5 gi_1
3418 C6 N1 C2 N3 gi_1
3419 N1 C6 C5 C4 gi_1
3420 N1 C2 N3 C4 gi_1
3421 C6 C5 C4 N3 gi_1
3422 C2 N3 C4 C5 gi_1
3423 C2 N3 N1 O2 gi_1
3424 C4 C5 N3 N4 gi_1
3425 N4 H41 H42 C4 gi_1
3426 C2* O2* C3* C1* gi_2
3427 [ dihedrals ]
3428 ; ai aj ak al gromos type
3429 -C -O P O5* gd_11
3430 -C -O P O5* gd_9
3431 -O P O5* C5* gd_11
3432 -O P O5* C5* gd_9
3433 P O5* C5* C4* gd_14
3434 O5* C5* C4* C3* gd_17
3435 O5* C5* C4* C3* gd_7
3436 O5* C5* C4* O4* gd_8
3437 C5* C4* C3* C2* gd_17
3438 C5* C4* C3* O3* gd_7
3439 O4* C4* C3* C2* gd_7
3440 O4* C4* C3* O3* gd_8
3441 C4* C3* C2* C1* gd_17
3442 O3* C3* C2* C1* gd_7
3443 C4* C3* C2* O2* gd_7
3444 O3* C3* C2* O2* gd_8
3445 C3* C2* C1* O4* gd_17
3446 C3* C2* C1* O4* gd_7
3447 O2* C2* C1* N1 gd_7
3448 O2* C2* C1* O4* gd_8
3449 C1* C2* O2* H2* gd_12
3450 C3* C4* O4* C1* gd_14
3451 C4* O4* C1* C2* gd_14
3452 O4* C1* N1 C2 gd_6
3453 N3 C4 N4 H41 gd_4
3454 C4* C3* O3* +P gd_14
3456 [ URA ]
3457 [ atoms ]
3458 P P 0.99000 0
3459 O1P OM -0.63500 0
3460 O2P OM -0.63500 0
3461 O5* OA -0.36000 0
3462 C5* CH2 0.00000 1
3463 C4* CH1 0.16000 2
3464 O4* OA -0.36000 2
3465 C1* CH1 0.20000 2
3466 N1 NR -0.20000 3
3467 C6 CR1 0.20000 3
3468 C2 C 0.38000 4
3469 O2 O -0.38000 4
3470 N3 NR -0.28000 5
3471 H3 H 0.28000 5
3472 C4 C 0.38000 6
3473 O4 O -0.38000 6
3474 C5 CR1 0.00000 7
3475 C2* CH1 0.15000 8
3476 O2* OA -0.54800 8
3477 H2* H 0.39800 8
3478 C3* CH1 0.000 9
3479 O3* OA -0.360 10
3480 [ bonds ]
3481 P O1P gb_23
3482 P O2P gb_23
3483 P O5* gb_27
3484 O5* C5* gb_19
3485 C5* C4* gb_25
3486 C4* O4* gb_19
3487 C4* C3* gb_25
3488 O4* C1* gb_19
3489 C1* N1 gb_22
3490 C1* C2* gb_25
3491 N1 C6 gb_16
3492 N1 C2 gb_16
3493 C6 C5 gb_15
3494 C2 O2 gb_4
3495 C2 N3 gb_16
3496 N3 H3 gb_2
3497 N3 C4 gb_16
3498 C4 O4 gb_4
3499 C4 C5 gb_15
3500 C2* O2* gb_19
3501 O2* H2* gb_1
3502 C2* C3* gb_25
3503 C3* O3* gb_19
3504 O3* +P gb_27
3505 [ exclusions ]
3506 ; ai aj
3507 C1* O2
3508 C1* N3
3509 C1* C5
3510 N1 H3
3511 N1 C4
3512 C6 O2
3513 C6 N3
3514 C6 O4
3515 C2 O4
3516 C2 C5
3517 O2 H3
3518 O2 C4
3519 H3 O4
3520 H3 C5
3521 [ angles ]
3522 ; ai aj ak gromos type
3523 -O P O1P ga_13
3524 -O P O2P ga_13
3525 -O P O5* ga_4
3526 O1P P O2P ga_28
3527 O1P P O5* ga_13
3528 O2P P O5* ga_13
3529 P O5* C5* ga_25
3530 O5* C5* C4* ga_8
3531 C5* C4* O4* ga_8
3532 C5* C4* C3* ga_7
3533 O4* C4* C3* ga_8
3534 C4* O4* C1* ga_9
3535 O4* C1* N1 ga_8
3536 O4* C1* C2* ga_8
3537 N1 C1* C2* ga_7
3538 C1* N1 C6 ga_26
3539 C1* N1 C2 ga_26
3540 C6 N1 C2 ga_26
3541 N1 C6 C5 ga_26
3542 N1 C2 O2 ga_26
3543 N1 C2 N3 ga_26
3544 O2 C2 N3 ga_26
3545 C2 N3 H3 ga_24
3546 C2 N3 C4 ga_26
3547 H3 N3 C4 ga_24
3548 N3 C4 O4 ga_26
3549 N3 C4 C5 ga_26
3550 O4 C4 C5 ga_26
3551 C6 C5 C4 ga_26
3552 C1* C2* C3* ga_7
3553 C1* C2* O2* ga_8
3554 O2* C2* C3* ga_8
3555 C2* O2* H2* ga_11
3556 C4* C3* C2* ga_7
3557 C4* C3* O3* ga_8
3558 C2* C3* O3* ga_8
3559 C3* O3* +P ga_25
3560 [ impropers ]
3561 ; ai aj ak al gromos type
3562 C4* O4* C5* C3* gi_2
3563 C3* C2* O3* C4* gi_2
3564 C1* N1 O4* C2* gi_2
3565 N1 C6 C2 C1* gi_1
3566 C2 N1 C6 C5 gi_1
3567 C6 N1 C2 N3 gi_1
3568 N1 C6 C5 C4 gi_1
3569 N1 C2 N3 C4 gi_1
3570 C6 C5 C4 N3 gi_1
3571 C2 N3 C4 C5 gi_1
3572 C2 N3 N1 O2 gi_1
3573 N3 C4 C2 H3 gi_1
3574 C4 C5 N3 O4 gi_1
3575 C2* O2* C3* C1* gi_2
3576 [ dihedrals ]
3577 ; ai aj ak al gromos type
3578 -C -O P O5* gd_11
3579 -C -O P O5* gd_9
3580 -O P O5* C5* gd_11
3581 -O P O5* C5* gd_9
3582 P O5* C5* C4* gd_14
3583 O5* C5* C4* C3* gd_17
3584 O5* C5* C4* C3* gd_7
3585 O5* C5* C4* O4* gd_8
3586 C5* C4* C3* C2* gd_17
3587 C5* C4* C3* O3* gd_7
3588 O4* C4* C3* C2* gd_7
3589 O4* C4* C3* O3* gd_8
3590 C4* C3* C2* C1* gd_17
3591 O3* C3* C2* C1* gd_7
3592 C4* C3* C2* O2* gd_7
3593 O3* C3* C2* O2* gd_8
3594 C3* C2* C1* O4* gd_17
3595 C3* C2* C1* O4* gd_7
3596 O2* C2* C1* N1 gd_7
3597 O2* C2* C1* O4* gd_8
3598 C1* C2* O2* H2* gd_12
3599 C3* C4* O4* C1* gd_14
3600 C4* O4* C1* C2* gd_14
3601 O4* C1* N1 C2 gd_6
3602 C4* C3* O3* +P gd_14
3604 [ FMNO ]
3605 [ atoms ]
3606 FC9A C 0.20000 0
3607 FN10 NR -0.20000 0
3608 FC10A C 0.36000 1
3609 FN1 NR -0.36000 1
3610 FC2 C 0.38000 2
3611 FO2 O -0.38000 2
3612 FN3 NR -0.28000 3
3613 FH3 H 0.28000 3
3614 FC4 C 0.38000 4
3615 FO4 O -0.38000 4
3616 FC4A C 0.18000 5
3617 FN5 NR -0.28000 5
3618 FC5A C 0.10000 5
3619 FC6 CR1 0.00000 6
3620 FC7 C 0.00000 7
3621 FCM7 CH3 0.00000 7
3622 FC8 C 0.00000 8
3623 FCM8 CH3 0.00000 8
3624 FC9 CR1 0.00000 9
3625 FCA CH2 0.00000 10
3626 FCB CH1 0.15000 11
3627 FOB OA -0.54800 11
3628 FHB H 0.39800 11
3629 FCG CH1 0.15000 12
3630 FOG OA -0.54800 12
3631 FHG H 0.39800 12
3632 FCD CH1 0.15000 13
3633 FOD OA -0.54800 13
3634 FHD H 0.39800 13
3635 FCE CH2 0.15000 14
3636 FOZ OA -0.36000 14
3637 FPH P 0.63000 14
3638 FOH OA -0.54800 14
3639 FHH H 0.39800 14
3640 FOT1 OM -0.63500 14
3641 FOT2 OM -0.63500 14
3642 [ bonds ]
3643 FC9A FN10 gb_16
3644 FC9A FC5A gb_15
3645 FC9A FC9 gb_15
3646 FN10 FC10A gb_16
3647 FN10 FCA gb_22
3648 FC10A FN1 gb_11
3649 FC10A FC4A gb_15
3650 FN1 FC2 gb_11
3651 FC2 FO2 gb_4
3652 FC2 FN3 gb_16
3653 FN3 FH3 gb_2
3654 FN3 FC4 gb_16
3655 FC4 FO4 gb_4
3656 FC4 FC4A gb_15
3657 FC4A FN5 gb_11
3658 FN5 FC5A gb_11
3659 FC5A FC6 gb_15
3660 FC6 FC7 gb_15
3661 FC7 FCM7 gb_26
3662 FC7 FC8 gb_15
3663 FC8 FCM8 gb_26
3664 FC8 FC9 gb_15
3665 FCA FCB gb_26
3666 FCB FOB gb_17
3667 FCB FCG gb_26
3668 FOB FHB gb_1
3669 FCG FOG gb_17
3670 FCG FCD gb_26
3671 FOG FHG gb_1
3672 FCD FOD gb_17
3673 FCD FCE gb_26
3674 FOD FHD gb_1
3675 FCE FOZ gb_17
3676 FOZ FPH gb_27
3677 FPH FOH gb_27
3678 FPH FOT1 gb_23
3679 FPH FOT2 gb_23
3680 FOH FHH gb_1
3681 [ exclusions ]
3682 ; ai aj
3683 FC9A FN1
3684 FC9A FC4A
3685 FC9A FC7
3686 FC9A FCM8
3687 FN10 FC2
3688 FN10 FC4
3689 FN10 FN5
3690 FN10 FC6
3691 FN10 FC8
3692 FC10A FO2
3693 FC10A FN3
3694 FC10A FO4
3695 FC10A FC5A
3696 FC10A FC9
3697 FN1 FH3
3698 FN1 FC4
3699 FN1 FN5
3700 FN1 FCA
3701 FC2 FO4
3702 FC2 FC4A
3703 FO2 FH3
3704 FO2 FC4
3705 FN3 FN5
3706 FH3 FO4
3707 FH3 FC4A
3708 FC4 FC5A
3709 FO4 FN5
3710 FC4A FC6
3711 FC4A FCA
3712 FN5 FC7
3713 FN5 FC9
3714 FC5A FCM7
3715 FC5A FC8
3716 FC5A FCA
3717 FC6 FCM8
3718 FC6 FC9
3719 FCM7 FCM8
3720 FCM7 FC9
3721 FC9 FCA
3722 FOZ FHH
3723 FHH FOT1
3724 FHH FOT2
3725 [ angles ]
3726 ; ai aj ak gromos type
3727 FN10 FC9A FC5A ga_26
3728 FN10 FC9A FC9 ga_26
3729 FC5A FC9A FC9 ga_26
3730 FC9A FN10 FC10A ga_26
3731 FC9A FN10 FCA ga_26
3732 FC10A FN10 FCA ga_26
3733 FN10 FC10A FN1 ga_26
3734 FN10 FC10A FC4A ga_26
3735 FN1 FC10A FC4A ga_26
3736 FC10A FN1 FC2 ga_26
3737 FN1 FC2 FO2 ga_26
3738 FN1 FC2 FN3 ga_26
3739 FO2 FC2 FN3 ga_26
3740 FC2 FN3 FH3 ga_24
3741 FC2 FN3 FC4 ga_26
3742 FH3 FN3 FC4 ga_24
3743 FN3 FC4 FO4 ga_26
3744 FN3 FC4 FC4A ga_26
3745 FO4 FC4 FC4A ga_26
3746 FC10A FC4A FC4 ga_26
3747 FC10A FC4A FN5 ga_26
3748 FC4 FC4A FN5 ga_26
3749 FC4A FN5 FC5A ga_26
3750 FC9A FC5A FN5 ga_26
3751 FC9A FC5A FC6 ga_26
3752 FN5 FC5A FC6 ga_26
3753 FC5A FC6 FC7 ga_26
3754 FC6 FC7 FCM7 ga_26
3755 FC6 FC7 FC8 ga_26
3756 FCM7 FC7 FC8 ga_26
3757 FC7 FC8 FCM8 ga_26
3758 FC7 FC8 FC9 ga_26
3759 FCM8 FC8 FC9 ga_26
3760 FC9A FC9 FC8 ga_26
3761 FN10 FCA FCB ga_14
3762 FCA FCB FOB ga_14
3763 FCA FCB FCG ga_14
3764 FOB FCB FCG ga_12
3765 FCB FOB FHB ga_11
3766 FCB FCG FOG ga_12
3767 FCB FCG FCD ga_14
3768 FOG FCG FCD ga_12
3769 FCG FOG FHG ga_11
3770 FCG FCD FOD ga_12
3771 FCG FCD FCE ga_14
3772 FOD FCD FCE ga_14
3773 FCD FOD FHD ga_11
3774 FCD FCE FOZ ga_14
3775 FCE FOZ FPH ga_25
3776 FOZ FPH FOH ga_4
3777 FOZ FPH FOT1 ga_13
3778 FOZ FPH FOT2 ga_13
3779 FOH FPH FOT1 ga_13
3780 FOH FPH FOT2 ga_13
3781 FOT1 FPH FOT2 ga_28
3782 FPH FOH FHH ga_11
3783 [ impropers ]
3784 ; ai aj ak al gromos type
3785 FC2 FN1 FN3 FO2 gi_1
3786 FN3 FC2 FC4 FH3 gi_1
3787 FC4 FN3 FC4A FO4 gi_1
3788 FN1 FC2 FN3 FC4 gi_1
3789 FC2 FN3 FC4 FC4A gi_1
3790 FN3 FC4 FC4A FC10A gi_1
3791 FC4 FC4A FC10A FN1 gi_1
3792 FC4A FC10A FN1 FC2 gi_1
3793 FC10A FN1 FC2 FN3 gi_1
3794 FC4A FC4 FN5 FC10A gi_1
3795 FC10A FN1 FN10 FC4A gi_1
3796 FN10 FC10A FC4A FN5 gi_1
3797 FN10 FC9A FC5A FN5 gi_1
3798 FC5A FN5 FC6 FC9A gi_1
3799 FC9A FN10 FC9 FC5A gi_1
3800 FC5A FC6 FC7 FC8 gi_1
3801 FC6 FC7 FC8 FC9 gi_1
3802 FC7 FC8 FC9 FC9A gi_1
3803 FC8 FC9 FC9A FC5A gi_1
3804 FC9 FC9A FC5A FC6 gi_1
3805 FC9A FC5A FC6 FC7 gi_1
3806 FC7 FC6 FC8 FCM7 gi_1
3807 FC8 FC7 FC9 FCM8 gi_1
3808 FCB FOB FCG FCA gi_2
3809 FCG FOG FCD FCB gi_2
3810 FCD FOD FCE FCG gi_2
3811 [ dihedrals ]
3812 ; ai aj ak al gromos type
3813 FC10A FC4A FN5 FC5A gd_4
3814 FC4A FN5 FC5A FC9A gd_4
3815 FC5A FC9A FN10 FC10A gd_4
3816 FC9A FN10 FC10A FC4A gd_4
3817 FC9A FN10 FCA FCB gd_20
3818 FN10 FCA FCB FCG gd_17
3819 FCA FCB FOB FHB gd_12
3820 FCA FCB FCG FCD gd_17
3821 FCB FCG FOG FHG gd_12
3822 FCB FCG FCD FCE gd_17
3823 FCG FCD FOD FHD gd_12
3824 FCG FCD FCE FOZ gd_17
3825 FCD FCE FOZ FPH gd_14
3826 FCE FOZ FPH FOH gd_11
3827 FCE FOZ FPH FOH gd_9
3828 FOZ FPH FOH FHH gd_11
3829 FOZ FPH FOH FHH gd_9
3831 [ FMNS ]
3832 [ atoms ]
3833 FC9A C 0.20000 0
3834 FN10 NR -0.20000 0
3835 FC10A C 0.36000 1
3836 FN1 NR -0.36000 1
3837 FC2 C 0.38000 2
3838 FO2 O -0.38000 2
3839 FN3 NR -0.28000 3
3840 FH3 H 0.28000 3
3841 FC4 C 0.38000 4
3842 FO4 O -0.38000 4
3843 FC4A C 0.00000 5
3844 FN5 NR -0.28000 6
3845 FH5 H 0.28000 6
3846 FC5A C 0.00000 7
3847 FC6 CR1 0.00000 8
3848 FC7 C 0.00000 9
3849 FCM7 CH3 0.00000 9
3850 FC8 C 0.00000 10
3851 FCM8 CH3 0.00000 10
3852 FC9 CR1 0.00000 11
3853 FCA CH2 0.00000 12
3854 FCB CH1 0.15000 13
3855 FOB OA -0.54800 13
3856 FHB H 0.39800 13
3857 FCG CH1 0.15000 14
3858 FOG OA -0.54800 14
3859 FHG H 0.39800 14
3860 FCD CH1 0.15000 15
3861 FOD OA -0.54800 15
3862 FHD H 0.39800 15
3863 FCE CH2 0.15000 16
3864 FOZ OA -0.36000 16
3865 FPH P 0.63000 16
3866 FOH OA -0.54800 16
3867 FHH H 0.39800 16
3868 FOT1 OM -0.63500 16
3869 FOT2 OM -0.63500 16
3870 [ bonds ]
3871 FC9A FN10 gb_16
3872 FC9A FC5A gb_15
3873 FC9A FC9 gb_15
3874 FN10 FC10A gb_16
3875 FN10 FCA gb_22
3876 FC10A FN1 gb_11
3877 FC10A FC4A gb_15
3878 FN1 FC2 gb_11
3879 FC2 FO2 gb_4
3880 FC2 FN3 gb_16
3881 FN3 FH3 gb_2
3882 FN3 FC4 gb_16
3883 FC4 FO4 gb_4
3884 FC4 FC4A gb_15
3885 FC4A FN5 gb_16
3886 FN5 FH5 gb_2
3887 FN5 FC5A gb_16
3888 FC5A FC6 gb_15
3889 FC6 FC7 gb_15
3890 FC7 FCM7 gb_26
3891 FC7 FC8 gb_15
3892 FC8 FCM8 gb_26
3893 FC8 FC9 gb_15
3894 FCA FCB gb_26
3895 FCB FOB gb_17
3896 FCB FCG gb_26
3897 FOB FHB gb_1
3898 FCG FOG gb_17
3899 FCG FCD gb_26
3900 FOG FHG gb_1
3901 FCD FOD gb_17
3902 FCD FCE gb_26
3903 FOD FHD gb_1
3904 FCE FOZ gb_17
3905 FOZ FPH gb_27
3906 FPH FOH gb_27
3907 FPH FOT1 gb_23
3908 FPH FOT2 gb_23
3909 FOH FHH gb_1
3910 [ exclusions ]
3911 ; ai aj
3912 FC9A FN1
3913 FC9A FC4A
3914 FC9A FH5
3915 FC9A FC7
3916 FC9A FCM8
3917 FN10 FC2
3918 FN10 FC4
3919 FN10 FN5
3920 FN10 FC6
3921 FN10 FC8
3922 FC10A FO2
3923 FC10A FN3
3924 FC10A FO4
3925 FC10A FH5
3926 FC10A FC5A
3927 FC10A FC9
3928 FN1 FH3
3929 FN1 FC4
3930 FN1 FN5
3931 FN1 FCA
3932 FC2 FO4
3933 FC2 FC4A
3934 FO2 FH3
3935 FO2 FC4
3936 FN3 FN5
3937 FH3 FO4
3938 FH3 FC4A
3939 FC4 FH5
3940 FC4 FC5A
3941 FO4 FN5
3942 FC4A FC6
3943 FC4A FCA
3944 FN5 FC7
3945 FN5 FC9
3946 FH5 FC6
3947 FC5A FCM7
3948 FC5A FC8
3949 FC5A FCA
3950 FC6 FCM8
3951 FC6 FC9
3952 FCM7 FCM8
3953 FCM7 FC9
3954 FC9 FCA
3955 FOZ FHH
3956 FHH FOT1
3957 FHH FOT2
3958 [ angles ]
3959 ; ai aj ak gromos type
3960 FN10 FC9A FC5A ga_26
3961 FN10 FC9A FC9 ga_26
3962 FC5A FC9A FC9 ga_26
3963 FC9A FN10 FC10A ga_26
3964 FC9A FN10 FCA ga_26
3965 FC10A FN10 FCA ga_26
3966 FN10 FC10A FN1 ga_26
3967 FN10 FC10A FC4A ga_26
3968 FN1 FC10A FC4A ga_26
3969 FC10A FN1 FC2 ga_26
3970 FN1 FC2 FO2 ga_26
3971 FN1 FC2 FN3 ga_26
3972 FO2 FC2 FN3 ga_26
3973 FC2 FN3 FH3 ga_24
3974 FC2 FN3 FC4 ga_26
3975 FH3 FN3 FC4 ga_24
3976 FN3 FC4 FO4 ga_26
3977 FN3 FC4 FC4A ga_26
3978 FO4 FC4 FC4A ga_26
3979 FC10A FC4A FC4 ga_26
3980 FC10A FC4A FN5 ga_26
3981 FC4 FC4A FN5 ga_26
3982 FC4A FN5 FH5 ga_24
3983 FC4A FN5 FC5A ga_26
3984 FH5 FN5 FC5A ga_24
3985 FC9A FC5A FN5 ga_26
3986 FC9A FC5A FC6 ga_26
3987 FN5 FC5A FC6 ga_26
3988 FC5A FC6 FC7 ga_26
3989 FC6 FC7 FCM7 ga_26
3990 FC6 FC7 FC8 ga_26
3991 FCM7 FC7 FC8 ga_26
3992 FC7 FC8 FCM8 ga_26
3993 FC7 FC8 FC9 ga_26
3994 FCM8 FC8 FC9 ga_26
3995 FC9A FC9 FC8 ga_26
3996 FN10 FCA FCB ga_14
3997 FCA FCB FOB ga_14
3998 FCA FCB FCG ga_14
3999 FOB FCB FCG ga_12
4000 FCB FOB FHB ga_11
4001 FCB FCG FOG ga_12
4002 FCB FCG FCD ga_14
4003 FOG FCG FCD ga_12
4004 FCG FOG FHG ga_11
4005 FCG FCD FOD ga_12
4006 FCG FCD FCE ga_14
4007 FOD FCD FCE ga_14
4008 FCD FOD FHD ga_11
4009 FCD FCE FOZ ga_14
4010 FCE FOZ FPH ga_25
4011 FOZ FPH FOH ga_4
4012 FOZ FPH FOT1 ga_13
4013 FOZ FPH FOT2 ga_13
4014 FOH FPH FOT1 ga_13
4015 FOH FPH FOT2 ga_13
4016 FOT1 FPH FOT2 ga_28
4017 FPH FOH FHH ga_11
4018 [ impropers ]
4019 ; ai aj ak al gromos type
4020 FC2 FN1 FN3 FO2 gi_1
4021 FN3 FC2 FC4 FH3 gi_1
4022 FC4 FN3 FC4A FO4 gi_1
4023 FN1 FC2 FN3 FC4 gi_1
4024 FC2 FN3 FC4 FC4A gi_1
4025 FN3 FC4 FC4A FC10A gi_1
4026 FC4 FC4A FC10A FN1 gi_1
4027 FC4A FC10A FN1 FC2 gi_1
4028 FC10A FN1 FC2 FN3 gi_1
4029 FC4A FC4 FN5 FC10A gi_1
4030 FC10A FN1 FN10 FC4A gi_1
4031 FN10 FC10A FC4A FN5 gi_1
4032 FN10 FC9A FC5A FN5 gi_1
4033 FC5A FN5 FC6 FC9A gi_1
4034 FC9A FN10 FC9 FC5A gi_1
4035 FC5A FC6 FC7 FC8 gi_1
4036 FC6 FC7 FC8 FC9 gi_1
4037 FC7 FC8 FC9 FC9A gi_1
4038 FC8 FC9 FC9A FC5A gi_1
4039 FC9 FC9A FC5A FC6 gi_1
4040 FC9A FC5A FC6 FC7 gi_1
4041 FC7 FC6 FC8 FCM7 gi_1
4042 FC8 FC7 FC9 FCM8 gi_1
4043 FCB FOB FCG FCA gi_2
4044 FCG FOG FCD FCB gi_2
4045 FCD FOD FCE FCG gi_2
4046 [ dihedrals ]
4047 ; ai aj ak al gromos type
4048 FC10A FC4A FN5 FC5A gd_4
4049 FC4A FN5 FC5A FC9A gd_4
4050 FC5A FC9A FN10 FC10A gd_4
4051 FC9A FN10 FC10A FC4A gd_4
4052 FC9A FN10 FCA FCB gd_20
4053 FN10 FCA FCB FCG gd_17
4054 FCA FCB FOB FHB gd_12
4055 FCA FCB FCG FCD gd_17
4056 FCB FCG FOG FHG gd_12
4057 FCB FCG FCD FCE gd_17
4058 FCG FCD FOD FHD gd_12
4059 FCG FCD FCE FOZ gd_17
4060 FCD FCE FOZ FPH gd_14
4061 FCE FOZ FPH FOH gd_11
4062 FCE FOZ FPH FOH gd_9
4063 FOZ FPH FOH FHH gd_11
4064 FOZ FPH FOH FHH gd_9
4066 [ FMNR ]
4067 [ atoms ]
4068 FC9A C 0.10000 0
4069 FN10 NR -0.20000 0
4070 FC10A C 0.10000 0
4071 FN1 NR -0.28000 1
4072 FH1 H 0.28000 1
4073 FC2 C 0.38000 2
4074 FO2 O -0.38000 2
4075 FN3 NR -0.28000 3
4076 FH3 H 0.28000 3
4077 FC4 C 0.38000 4
4078 FO4 O -0.38000 4
4079 FC4A C 0.00000 5
4080 FN5 NR -0.28000 6
4081 FH5 H 0.28000 6
4082 FC5A C 0.00000 7
4083 FC6 CR1 0.00000 8
4084 FC7 C 0.00000 9
4085 FCM7 CH3 0.00000 9
4086 FC8 C 0.00000 10
4087 FCM8 CH3 0.00000 10
4088 FC9 CR1 0.00000 11
4089 FCA CH2 0.00000 12
4090 FCB CH1 0.15000 13
4091 FOB OA -0.54800 13
4092 FHB H 0.39800 13
4093 FCG CH1 0.15000 14
4094 FOG OA -0.54800 14
4095 FHG H 0.39800 14
4096 FCD CH1 0.15000 15
4097 FOD OA -0.54800 15
4098 FHD H 0.39800 15
4099 FCE CH2 0.15000 16
4100 FOZ OA -0.36000 16
4101 FPH P 0.63000 16
4102 FOH OA -0.54800 16
4103 FHH H 0.39800 16
4104 FOT1 OM -0.63500 16
4105 FOT2 OM -0.63500 16
4106 [ bonds ]
4107 FC9A FN10 gb_16
4108 FC9A FC5A gb_15
4109 FC9A FC9 gb_15
4110 FN10 FC10A gb_16
4111 FN10 FCA gb_22
4112 FC10A FN1 gb_16
4113 FC10A FC4A gb_15
4114 FN1 FH1 gb_2
4115 FN1 FC2 gb_16
4116 FC2 FO2 gb_14
4117 FC2 FN3 gb_16
4118 FN3 FH3 gb_2
4119 FN3 FC4 gb_16
4120 FC4 FO4 gb_4
4121 FC4 FC4A gb_15
4122 FC4A FN5 gb_16
4123 FN5 FH5 gb_2
4124 FN5 FC5A gb_16
4125 FC5A FC6 gb_15
4126 FC6 FC7 gb_15
4127 FC7 FCM7 gb_26
4128 FC7 FC8 gb_15
4129 FC8 FCM8 gb_26
4130 FC8 FC9 gb_15
4131 FCA FCB gb_26
4132 FCB FOB gb_17
4133 FCB FCG gb_26
4134 FOB FHB gb_1
4135 FCG FOG gb_17
4136 FCG FCD gb_26
4137 FOG FHG gb_1
4138 FCD FOD gb_17
4139 FCD FCE gb_26
4140 FOD FHD gb_1
4141 FCE FOZ gb_17
4142 FOZ FPH gb_27
4143 FPH FOH gb_27
4144 FPH FOT1 gb_23
4145 FPH FOT2 gb_23
4146 FOH FHH gb_1
4147 [ exclusions ]
4148 ; ai aj
4149 FC9A FN1
4150 FC9A FC4A
4151 FC9A FH5
4152 FC9A FC7
4153 FC9A FCM8
4154 FN10 FH1
4155 FN10 FC2
4156 FN10 FC4
4157 FN10 FN5
4158 FN10 FC6
4159 FN10 FC8
4160 FC10A FO2
4161 FC10A FN3
4162 FC10A FO4
4163 FC10A FH5
4164 FC10A FC5A
4165 FC10A FC9
4166 FN1 FH3
4167 FN1 FC4
4168 FN1 FN5
4169 FN1 FCA
4170 FH1 FO2
4171 FH1 FN3
4172 FH1 FC4A
4173 FC2 FO4
4174 FC2 FC4A
4175 FO2 FH3
4176 FO2 FC4
4177 FN3 FN5
4178 FH3 FO4
4179 FH3 FC4A
4180 FC4 FH5
4181 FC4 FC5A
4182 FO4 FN5
4183 FC4A FC6
4184 FC4A FCA
4185 FN5 FC7
4186 FN5 FC9
4187 FH5 FC6
4188 FC5A FCM7
4189 FC5A FC8
4190 FC5A FCA
4191 FC6 FCM8
4192 FC6 FC9
4193 FCM7 FCM8
4194 FCM7 FC9
4195 FC9 FCA
4196 FOZ FHH
4197 FHH FOT1
4198 FHH FOT2
4199 FOT1 +N
4200 [ angles ]
4201 ; ai aj ak gromos type
4202 FN10 FC9A FC5A ga_26
4203 FN10 FC9A FC9 ga_26
4204 FC5A FC9A FC9 ga_26
4205 FC9A FN10 FC10A ga_26
4206 FC9A FN10 FCA ga_26
4207 FC10A FN10 FCA ga_26
4208 FN10 FC10A FN1 ga_26
4209 FN10 FC10A FC4A ga_26
4210 FN1 FC10A FC4A ga_26
4211 FC10A FN1 FH1 ga_24
4212 FC10A FN1 FC2 ga_26
4213 FH1 FN1 FC2 ga_24
4214 FN1 FC2 FO2 ga_26
4215 FN1 FC2 FN3 ga_26
4216 FO2 FC2 FN3 ga_26
4217 FC2 FN3 FH3 ga_24
4218 FC2 FN3 FC4 ga_26
4219 FH3 FN3 FC4 ga_24
4220 FN3 FC4 FO4 ga_26
4221 FN3 FC4 FC4A ga_26
4222 FO4 FC4 FC4A ga_26
4223 FC10A FC4A FC4 ga_26
4224 FC10A FC4A FN5 ga_26
4225 FC4 FC4A FN5 ga_26
4226 FC4A FN5 FH5 ga_24
4227 FC4A FN5 FC5A ga_26
4228 FH5 FN5 FC5A ga_24
4229 FC9A FC5A FN5 ga_26
4230 FC9A FC5A FC6 ga_26
4231 FN5 FC5A FC6 ga_26
4232 FC5A FC6 FC7 ga_26
4233 FC6 FC7 FCM7 ga_26
4234 FC6 FC7 FC8 ga_26
4235 FCM7 FC7 FC8 ga_26
4236 FC7 FC8 FCM8 ga_26
4237 FC7 FC8 FC9 ga_26
4238 FCM8 FC8 FC9 ga_26
4239 FC9A FC9 FC8 ga_26
4240 FN10 FCA FCB ga_14
4241 FCA FCB FOB ga_14
4242 FCA FCB FCG ga_14
4243 FOB FCB FCG ga_12
4244 FCB FOB FHB ga_11
4245 FCB FCG FOG ga_12
4246 FCB FCG FCD ga_14
4247 FOG FCG FCD ga_12
4248 FCG FOG FHG ga_11
4249 FCG FCD FOD ga_12
4250 FCG FCD FCE ga_14
4251 FOD FCD FCE ga_14
4252 FCD FOD FHD ga_11
4253 FCD FCE FOZ ga_14
4254 FCE FOZ FPH ga_25
4255 FOZ FPH FOH ga_4
4256 FOZ FPH FOT1 ga_13
4257 FOZ FPH FOT2 ga_13
4258 FOH FPH FOT1 ga_13
4259 FOH FPH FOT2 ga_13
4260 FOT1 FPH FOT2 ga_28
4261 FPH FOH FHH ga_11
4262 [ impropers ]
4263 ; ai aj ak al gromos type
4264 FN1 FC10A FC2 FH1 gi_1
4265 FC2 FN1 FN3 FO2 gi_1
4266 FN3 FC2 FC4 FH3 gi_1
4267 FC4 FN3 FC4A FO4 gi_1
4268 FN1 FC2 FN3 FC4 gi_1
4269 FC2 FN3 FC4 FC4A gi_1
4270 FN3 FC4 FC4A FC10A gi_1
4271 FC4 FC4A FC10A FN1 gi_1
4272 FC4A FC10A FN1 FC2 gi_1
4273 FC10A FN1 FC2 FN3 gi_1
4274 FC4A FC4 FN5 FC10A gi_1
4275 FC10A FN1 FN10 FC4A gi_1
4276 FN10 FC10A FC4A FN5 gi_1
4277 FN10 FC9A FC5A FN5 gi_1
4278 FC5A FN5 FC6 FC9A gi_1
4279 FC9A FN10 FC9 FC5A gi_1
4280 FC5A FC6 FC7 FC8 gi_1
4281 FC6 FC7 FC8 FC9 gi_1
4282 FC7 FC8 FC9 FC9A gi_1
4283 FC8 FC9 FC9A FC5A gi_1
4284 FC9 FC9A FC5A FC6 gi_1
4285 FC9A FC5A FC6 FC7 gi_1
4286 FC7 FC6 FC8 FCM7 gi_1
4287 FC8 FC7 FC9 FCM8 gi_1
4288 FCB FOB FCG FCA gi_2
4289 FCG FOG FCD FCB gi_2
4290 FCD FOD FCE FCG gi_2
4291 [ dihedrals ]
4292 ; ai aj ak al gromos type
4293 FC10A FC4A FN5 FC5A gd_4
4294 FC4A FN5 FC5A FC9A gd_4
4295 FC5A FC9A FN10 FC10A gd_4
4296 FC9A FN10 FC10A FC4A gd_4
4297 FC9A FN10 FCA FCB gd_20
4298 FN10 FCA FCB FCG gd_17
4299 FCA FCB FOB FHB gd_12
4300 FCA FCB FCG FCD gd_17
4301 FCB FCG FOG FHG gd_12
4302 FCB FCG FCD FCE gd_17
4303 FCG FCD FOD FHD gd_12
4304 FCG FCD FCE FOZ gd_17
4305 FCD FCE FOZ FPH gd_14
4306 FCE FOZ FPH FOH gd_11
4307 FCE FOZ FPH FOH gd_9
4308 FOZ FPH FOH FHH gd_11
4309 FOZ FPH FOH FHH gd_9
4311 [ PFN ]
4312 [ atoms ]
4313 FC9A C 0.00000 0
4314 FC10 CR1 0.00000 0
4315 FC10A C 0.00000 0
4316 FC1 CR1 0.00000 1
4317 FC2 CR1 0.00000 1
4318 FC3 C 0.00000 2
4319 FN3 NT -0.83000 3
4320 FH31 H 0.41500 3
4321 FH32 H 0.41500 3
4322 FC4 CR1 0.00000 4
4323 FC4A C 0.15000 5
4324 FN5 NR 0.28500 5
4325 FH5 H 0.41500 5
4326 FC5A C 0.15000 5
4327 FC6 CR1 0.00000 6
4328 FC7 C 0.00000 7
4329 FN7 NT -0.83000 8
4330 FH71 H 0.41500 8
4331 FH72 H 0.41500 8
4332 FC8 CR1 0.00000 9
4333 FC9 CR1 0.00000 9
4334 [ bonds ]
4335 FC9A FC10 gb_15
4336 FC9A FC5A gb_15
4337 FC9A FC9 gb_15
4338 FC10 FC10A gb_15
4339 FC10A FC1 gb_15
4340 FC10A FC4A gb_15
4341 FC1 FC2 gb_15
4342 FC2 FC3 gb_15
4343 FC3 FN3 gb_8
4344 FC3 FC4 gb_15
4345 FN3 FH31 gb_2
4346 FN3 FH32 gb_2
4347 FC4 FC4A gb_15
4348 FC4A FN5 gb_16
4349 FN5 FH5 gb_2
4350 FN5 FC5A gb_16
4351 FC5A FC6 gb_15
4352 FC6 FC7 gb_15
4353 FC7 FN7 gb_8
4354 FC7 FC8 gb_15
4355 FN7 FH71 gb_2
4356 FN7 FH72 gb_2
4357 FC8 FC9 gb_15
4358 [ exclusions ]
4359 ; ai aj
4360 FC9A FC1
4361 FC9A FC4A
4362 FC9A FH5
4363 FC9A FC7
4364 FC10 FC2
4365 FC10 FC4
4366 FC10 FN5
4367 FC10 FC6
4368 FC10 FC8
4369 FC10A FC3
4370 FC10A FH5
4371 FC10A FC5A
4372 FC10A FC9
4373 FC1 FN3
4374 FC1 FC4
4375 FC1 FN5
4376 FC2 FC4A
4377 FC3 FN5
4378 FN3 FC4A
4379 FC4 FH5
4380 FC4 FC5A
4381 FC4A FC6
4382 FN5 FC7
4383 FN5 FC9
4384 FH5 FC6
4385 FC5A FN7
4386 FC5A FC8
4387 FC6 FC9
4388 FN7 FC9
4389 [ angles ]
4390 ; ai aj ak gromos type
4391 FC10 FC9A FC5A ga_26
4392 FC10 FC9A FC9 ga_26
4393 FC5A FC9A FC9 ga_26
4394 FC9A FC10 FC10A ga_26
4395 FC10 FC10A FC1 ga_26
4396 FC10 FC10A FC4A ga_26
4397 FC1 FC10A FC4A ga_26
4398 FC10A FC1 FC2 ga_26
4399 FC1 FC2 FC3 ga_26
4400 FC2 FC3 FN3 ga_26
4401 FC2 FC3 FC4 ga_26
4402 FN3 FC3 FC4 ga_26
4403 FC3 FN3 FH31 ga_22
4404 FC3 FN3 FH32 ga_22
4405 FH31 FN3 FH32 ga_23
4406 FC3 FC4 FC4A ga_26
4407 FC10A FC4A FC4 ga_26
4408 FC10A FC4A FN5 ga_26
4409 FC4 FC4A FN5 ga_26
4410 FC4A FN5 FH5 ga_24
4411 FC4A FN5 FC5A ga_26
4412 FH5 FN5 FC5A ga_24
4413 FC9A FC5A FN5 ga_26
4414 FC9A FC5A FC6 ga_26
4415 FN5 FC5A FC6 ga_26
4416 FC5A FC6 FC7 ga_26
4417 FC6 FC7 FN7 ga_26
4418 FC6 FC7 FC8 ga_26
4419 FN7 FC7 FC8 ga_26
4420 FC7 FN7 FH71 ga_22
4421 FC7 FN7 FH72 ga_22
4422 FH71 FN7 FH72 ga_23
4423 FC7 FC8 FC9 ga_26
4424 FC8 FC9 FC9A ga_26
4425 [ impropers ]
4426 ; ai aj ak al gromos type
4427 FC9A FC10 FC10A FC4A gi_1
4428 FC10 FC10A FC4A FN5 gi_1
4429 FC10A FC4A FN5 FC5A gi_1
4430 FC4A FN5 FC5A FC9A gi_1
4431 FN5 FC5A FC9A FC10 gi_1
4432 FC5A FC9A FC10 FC10A gi_1
4433 FN5 FC4A FC5A FH5 gi_1
4434 FC10A FC1 FC10 FC4A gi_1
4435 FC4A FC4 FN5 FC10A gi_1
4436 FC4A FC10A FC1 FC2 gi_1
4437 FC10A FC1 FC2 FC3 gi_1
4438 FC1 FC2 FC3 FC4 gi_1
4439 FC2 FC3 FC4 FC4A gi_1
4440 FC3 FC4 FC4A FC10A gi_1
4441 FC4 FC4A FC10A FC1 gi_1
4442 FC3 FC2 FC4 FN3 gi_1
4443 FN3 FH31 FH32 FC3 gi_1
4444 FC5A FN5 FC6 FC9A gi_1
4445 FC9A FC10 FC9 FC5A gi_1
4446 FC5A FC6 FC7 FC8 gi_1
4447 FC6 FC7 FC8 FC9 gi_1
4448 FC7 FC8 FC9 FC9A gi_1
4449 FC8 FC9 FC9A FC5A gi_1
4450 FC9 FC9A FC5A FC6 gi_1
4451 FC9A FC5A FC6 FC7 gi_1
4452 FC7 FC8 FC6 FN7 gi_1
4453 FN7 FH71 FH72 FC7 gi_1
4454 [ dihedrals ]
4455 ; ai aj ak al gromos type
4456 FC2 FC3 FN3 FH31 gd_4
4457 FC8 FC7 FN7 FH71 gd_4
4459 [ NADP ]
4460 [ atoms ]
4461 AP P 0.76000 0
4462 AO1P OM -0.63500 0
4463 AO2P OM -0.63500 0
4464 AO5* OA -0.36000 0
4465 O3P OA -0.26000 1
4466 NP P 0.76000 1
4467 NO1P OM -0.63500 1
4468 NO2P OM -0.63500 1
4469 NO5* OA -0.36000 1
4470 AC5* CH2 0.00000 2
4471 AC4* CH1 0.16000 3
4472 AO4* OA -0.36000 3
4473 AC1* CH1 0.20000 3
4474 AN9 NR -0.20000 4
4475 AC4 C 0.20000 4
4476 AN3 NR -0.36000 5
4477 AC2 CR1 0.36000 5
4478 AN1 NR -0.36000 6
4479 AC6 C 0.36000 6
4480 AN6 NT -0.83000 7
4481 AH61 H 0.41500 7
4482 AH62 H 0.41500 7
4483 AC5 C 0.00000 8
4484 AN7 NR -0.36000 8
4485 AC8 CR1 0.36000 8
4486 AC2* CH1 0.15000 9
4487 AO2* OA -0.54800 9
4488 AH2* H 0.39800 9
4489 AC3* CH1 0.15000 10
4490 AO3* OA -0.54800 10
4491 AH3* H 0.39800 10
4492 NC5* CH2 0.00000 11
4493 NC4* CH1 0.16000 12
4494 NO4* OA -0.36000 12
4495 NC1* CH1 0.20000 12
4496 NN1 NR 0.10000 13
4497 NC6 CR1 0.30000 13
4498 NC2 CR1 0.25000 13
4499 NC3 C 0.00000 13
4500 NC4 CR1 0.25000 13
4501 NC5 CR1 0.10000 13
4502 NC7 C 0.38000 14
4503 NO7 O -0.38000 14
4504 NN7 NT -0.83000 15
4505 NH71 H 0.41500 15
4506 NH72 H 0.41500 15
4507 NC2* CH1 0.15000 16
4508 NO2* OA -0.54800 16
4509 NH2* H 0.39800 16
4510 NC3* CH1 0.15000 17
4511 NO3* OA -0.54800 17
4512 NH3* H 0.39800 17
4513 [ bonds ]
4514 AP AO1P gb_23
4515 AP AO2P gb_23
4516 AP AO5* gb_27
4517 AP O3P gb_27
4518 AO5* AC5* gb_19
4519 O3P NP gb_27
4520 NP NO1P gb_23
4521 NP NO2P gb_23
4522 NP NO5* gb_27
4523 NO5* NC5* gb_19
4524 AC5* AC4* gb_25
4525 AC4* AO4* gb_19
4526 AC4* AC3* gb_25
4527 AO4* AC1* gb_19
4528 AC1* AN9 gb_21
4529 AC1* AC2* gb_25
4530 AN9 AC4 gb_9
4531 AN9 AC8 gb_9
4532 AC4 AN3 gb_11
4533 AC4 AC5 gb_15
4534 AN3 AC2 gb_6
4535 AC2 AN1 gb_6
4536 AN1 AC6 gb_11
4537 AC6 AN6 gb_8
4538 AC6 AC5 gb_15
4539 AN6 AH61 gb_2
4540 AN6 AH62 gb_2
4541 AC5 AN7 gb_9
4542 AN7 AC8 gb_9
4543 AC2* AO2* gb_19
4544 AC2* AC3* gb_25
4545 AO2* AH2* gb_1
4546 AC3* AO3* gb_19
4547 AO3* AH3* gb_1
4548 NC5* NC4* gb_25
4549 NC4* NO4* gb_19
4550 NC4* NC3* gb_25
4551 NO4* NC1* gb_19
4552 NC1* NN1 gb_22
4553 NC1* NC2* gb_25
4554 NN1 NC6 gb_16
4555 NN1 NC2 gb_16
4556 NC6 NC5 gb_15
4557 NC2 NC3 gb_15
4558 NC3 NC4 gb_15
4559 NC3 NC7 gb_26
4560 NC4 NC5 gb_15
4561 NC7 NO7 gb_4
4562 NC7 NN7 gb_8
4563 NN7 NH71 gb_2
4564 NN7 NH72 gb_2
4565 NC2* NO2* gb_19
4566 NC2* NC3* gb_25
4567 NO2* NH2* gb_1
4568 NC3* NO3* gb_19
4569 NO3* NH3* gb_1
4570 [ exclusions ]
4571 ; ai aj
4572 AC1* AN3
4573 AC1* AC5
4574 AC1* AN7
4575 AN9 AC2
4576 AN9 AC6
4577 AC4 AN1
4578 AC4 AN6
4579 AN3 AC6
4580 AN3 AN7
4581 AN3 AC8
4582 AC2 AN6
4583 AC2 AC5
4584 AN1 AN7
4585 AC6 AC8
4586 AN6 AN7
4587 NC1* NC3
4588 NC1* NC5
4589 NN1 NC4
4590 NN1 NC7
4591 NC6 NC3
4592 NC2 NC5
4593 NC5 NC7
4594 [ angles ]
4595 ; ai aj ak gromos type
4596 AO1P AP AO2P ga_28
4597 AO1P AP AO5* ga_13
4598 AO1P AP O3P ga_13
4599 AO2P AP AO5* ga_13
4600 AO2P AP O3P ga_13
4601 AO5* AP O3P ga_4
4602 AP AO5* AC5* ga_25
4603 AP O3P NP ga_25
4604 O3P NP NO1P ga_13
4605 O3P NP NO2P ga_13
4606 O3P NP NO5* ga_4
4607 NO1P NP NO2P ga_28
4608 NO1P NP NO5* ga_13
4609 NO2P NP NO5* ga_13
4610 NP NO5* NC5* ga_25
4611 AO5* AC5* AC4* ga_8
4612 AC5* AC4* AO4* ga_8
4613 AC5* AC4* AC3* ga_7
4614 AO4* AC4* AC3* ga_8
4615 AC4* AO4* AC1* ga_9
4616 AO4* AC1* AN9 ga_8
4617 AO4* AC1* AC2* ga_8
4618 AN9 AC1* AC2* ga_8
4619 AC1* AN9 AC4 ga_36
4620 AC1* AN9 AC8 ga_36
4621 AC4 AN9 AC8 ga_6
4622 AN9 AC4 AN3 ga_38
4623 AN9 AC4 AC5 ga_6
4624 AN3 AC4 AC5 ga_26
4625 AC4 AN3 AC2 ga_26
4626 AN3 AC2 AN1 ga_26
4627 AC2 AN1 AC6 ga_26
4628 AN1 AC6 AN6 ga_26
4629 AN1 AC6 AC5 ga_26
4630 AN6 AC6 AC5 ga_26
4631 AC6 AN6 AH61 ga_22
4632 AC6 AN6 AH62 ga_22
4633 AH61 AN6 AH62 ga_23
4634 AC4 AC5 AC6 ga_26
4635 AC4 AC5 AN7 ga_6
4636 AC6 AC5 AN7 ga_38
4637 AC5 AN7 AC8 ga_6
4638 AN9 AC8 AN7 ga_6
4639 AC1* AC2* AO2* ga_8
4640 AC1* AC2* AC3* ga_7
4641 AO2* AC2* AC3* ga_8
4642 AC2* AO2* AH2* ga_11
4643 AC4* AC3* AC2* ga_7
4644 AC4* AC3* AO3* ga_8
4645 AC2* AC3* AO3* ga_8
4646 AC3* AO3* AH3* ga_11
4647 NO5* NC5* NC4* ga_8
4648 NC5* NC4* NO4* ga_8
4649 NC5* NC4* NC3* ga_7
4650 NO4* NC4* NC3* ga_8
4651 NC4* NO4* NC1* ga_9
4652 NO4* NC1* NN1 ga_8
4653 NO4* NC1* NC2* ga_8
4654 NN1 NC1* NC2* ga_7
4655 NC1* NN1 NC6 ga_26
4656 NC1* NN1 NC2 ga_26
4657 NC6 NN1 NC2 ga_26
4658 NN1 NC6 NC5 ga_26
4659 NN1 NC2 NC3 ga_26
4660 NC2 NC3 NC4 ga_26
4661 NC2 NC3 NC7 ga_26
4662 NC4 NC3 NC7 ga_26
4663 NC3 NC4 NC5 ga_26
4664 NC6 NC5 NC4 ga_26
4665 NC3 NC7 NO7 ga_29
4666 NC3 NC7 NN7 ga_18
4667 NO7 NC7 NN7 ga_32
4668 NC7 NN7 NH71 ga_22
4669 NC7 NN7 NH72 ga_22
4670 NH71 NN7 NH72 ga_23
4671 NC1* NC2* NO2* ga_8
4672 NC1* NC2* NC3* ga_7
4673 NO2* NC2* NC3* ga_8
4674 NC2* NO2* NH2* ga_11
4675 NC4* NC3* NC2* ga_7
4676 NC4* NC3* NO3* ga_8
4677 NC2* NC3* NO3* ga_8
4678 NC3* NO3* NH3* ga_11
4679 [ impropers ]
4680 ; ai aj ak al gromos type
4681 AC4* AO4* AC5* AC3* gi_2
4682 AC3* AC2* AO3* AC4* gi_2
4683 AC2* AO2* AC3* AC1* gi_2
4684 AC1* AN9 AO4* AC2* gi_2
4685 AN9 AC8 AC4 AC1* gi_1
4686 AC4 AN9 AC8 AN7 gi_1
4687 AC8 AN9 AC4 AC5 gi_1
4688 AN9 AC8 AN7 AC5 gi_1
4689 AN9 AC4 AC5 AN7 gi_1
4690 AC8 AN7 AC5 AC4 gi_1
4691 AC4 AN9 AN3 AC5 gi_1
4692 AC5 AC6 AN7 AC4 gi_1
4693 AN3 AC4 AC5 AC6 gi_1
4694 AC4 AC5 AC6 AN1 gi_1
4695 AC5 AC4 AN3 AC2 gi_1
4696 AC5 AC6 AN1 AC2 gi_1
4697 AC4 AN3 AC2 AN1 gi_1
4698 AN3 AC2 AN1 AC6 gi_1
4699 AC6 AC5 AN1 AN6 gi_1
4700 AN6 AH61 AH62 AC6 gi_1
4701 NC4* NO4* NC5* NC3* gi_2
4702 NC3* NC2* NO3* NC4* gi_2
4703 NC2* NO2* NC3* NC1* gi_2
4704 NC1* NN1 NO4* NC2* gi_2
4705 NN1 NC6 NC2 NC1* gi_1
4706 NC2 NN1 NC6 NC5 gi_1
4707 NC6 NN1 NC2 NC3 gi_1
4708 NN1 NC6 NC5 NC4 gi_1
4709 NN1 NC2 NC3 NC4 gi_1
4710 NC6 NC5 NC4 NC3 gi_1
4711 NC2 NC3 NC4 NC5 gi_1
4712 NC3 NC4 NC2 NC7 gi_1
4713 NC7 NO7 NN7 NC3 gi_1
4714 NN7 NH71 NH72 NC7 gi_1
4715 [ dihedrals ]
4716 ; ai aj ak al gromos type
4717 AO5* AP O3P NP gd_11
4718 AO5* AP O3P NP gd_9
4719 O3P AP AO5* AC5* gd_11
4720 O3P AP AO5* AC5* gd_9
4721 AP AO5* AC5* AC4* gd_14
4722 AO5* AC5* AC4* AC3* gd_17
4723 AO5* AC5* AC4* AC3* gd_7
4724 AO5* AC5* AC4* AO4* gd_8
4725 AC5* AC4* AC3* AC2* gd_17
4726 AC5* AC4* AC3* AO3* gd_7
4727 AO4* AC4* AC3* AC2* gd_7
4728 AO4* AC4* AC3* AO3* gd_8
4729 AC4* AC3* AC2* AC1* gd_17
4730 AO3* AC3* AC2* AC1* gd_7
4731 AC4* AC3* AC2* AO2* gd_7
4732 AO3* AC3* AC2* AO2* gd_8
4733 AC3* AC2* AC1* AO4* gd_17
4734 AC3* AC2* AC1* AO4* gd_7
4735 AO2* AC2* AC1* AN9 gd_7
4736 AO2* AC2* AC1* AO4* gd_8
4737 AC3* AC4* AO4* AC1* gd_14
4738 AC4* AO4* AC1* AC2* gd_14
4739 AC1* AC2* AO2* AH2* gd_12
4740 AC4* AC3* AO3* AH3* gd_12
4741 AO4* AC1* AN9 AC4 gd_6
4742 AC5 AC6 AN6 AH61 gd_4
4743 AP O3P NP NO5* gd_11
4744 AP O3P NP NO5* gd_9
4745 O3P NP NO5* NC5* gd_11
4746 O3P NP NO5* NC5* gd_9
4747 NP NO5* NC5* NC4* gd_14
4748 NO5* NC5* NC4* NC3* gd_17
4749 NO5* NC5* NC4* NC3* gd_7
4750 NO5* NC5* NC4* NO4* gd_8
4751 NC5* NC4* NC3* NC2* gd_17
4752 NC5* NC4* NC3* NO3* gd_7
4753 NO4* NC4* NC3* NC2* gd_7
4754 NO4* NC4* NC3* NO3* gd_8
4755 NC4* NC3* NC2* NC1* gd_17
4756 NO3* NC3* NC2* NC1* gd_7
4757 NC4* NC3* NC2* NO2* gd_7
4758 NO3* NC3* NC2* NO2* gd_8
4759 NC3* NC2* NC1* NO4* gd_17
4760 NC3* NC2* NC1* NO4* gd_7
4761 NO2* NC2* NC1* NN1 gd_7
4762 NO2* NC2* NC1* NO4* gd_8
4763 NC3* NC4* NO4* NC1* gd_14
4764 NC4* NO4* NC1* NC2* gd_14
4765 NC1* NC2* NO2* NH2* gd_12
4766 NC4* NC3* NO3* NH3* gd_12
4767 NO4* NC1* NN1 NC2 gd_6
4768 NC2 NC3 NC7 NN7 gd_1
4769 NC3 NC7 NN7 NH71 gd_4
4771 [ NADH ]
4772 [ atoms ]
4773 AP P 0.76000 0
4774 AO1P OM -0.63500 0
4775 AO2P OM -0.63500 0
4776 AO5* OA -0.36000 0
4777 O3P OA -0.26000 1
4778 NP P 0.76000 1
4779 NO1P OM -0.63500 1
4780 NO2P OM -0.63500 1
4781 NO5* OA -0.36000 1
4782 AC5* CH2 0.00000 2
4783 AC4* CH1 0.16000 3
4784 AO4* OA -0.36000 3
4785 AC1* CH1 0.20000 3
4786 AN9 NR -0.20000 4
4787 AC4 C 0.20000 4
4788 AN3 NR -0.36000 5
4789 AC2 CR1 0.36000 5
4790 AN1 NR -0.36000 6
4791 AC6 C 0.36000 6
4792 AN6 NT -0.83000 7
4793 AH61 H 0.41500 7
4794 AH62 H 0.41500 7
4795 AC5 C 0.00000 8
4796 AN7 NR -0.36000 8
4797 AC8 CR1 0.36000 8
4798 AC2* CH1 0.15000 9
4799 AO2* OA -0.54800 9
4800 AH2* H 0.39800 9
4801 AC3* CH1 0.15000 10
4802 AO3* OA -0.54800 10
4803 AH3* H 0.39800 10
4804 NC5* CH2 0.00000 11
4805 NC4* CH1 0.16000 12
4806 NO4* OA -0.36000 12
4807 NC1* CH1 0.20000 12
4808 NN1 NR -0.20000 13
4809 NC6 CR1 0.20000 13
4810 NC2 CR1 0.00000 13
4811 NC3 C 0.00000 13
4812 NC4 CH2 0.00000 13
4813 NC5 CR1 0.00000 13
4814 NC7 C 0.38000 14
4815 NO7 O -0.38000 14
4816 NN7 NT -0.83000 15
4817 NH71 H 0.41500 15
4818 NH72 H 0.41500 15
4819 NC2* CH1 0.15000 16
4820 NO2* OA -0.54800 16
4821 NH2* H 0.39800 16
4822 NC3* CH1 0.15000 17
4823 NO3* OA -0.54800 17
4824 NH3* H 0.39800 17
4825 [ bonds ]
4826 AP AO1P gb_23
4827 AP AO2P gb_23
4828 AP AO5* gb_27
4829 AP O3P gb_27
4830 AO5* AC5* gb_19
4831 O3P NP gb_27
4832 NP NO1P gb_23
4833 NP NO2P gb_23
4834 NP NO5* gb_27
4835 NO5* NC5* gb_19
4836 AC5* AC4* gb_25
4837 AC4* AO4* gb_19
4838 AC4* AC3* gb_25
4839 AO4* AC1* gb_19
4840 AC1* AN9 gb_21
4841 AC1* AC2* gb_25
4842 AN9 AC4 gb_9
4843 AN9 AC8 gb_9
4844 AC4 AN3 gb_11
4845 AC4 AC5 gb_15
4846 AN3 AC2 gb_6
4847 AC2 AN1 gb_6
4848 AN1 AC6 gb_11
4849 AC6 AN6 gb_8
4850 AC6 AC5 gb_15
4851 AN6 AH61 gb_2
4852 AN6 AH62 gb_2
4853 AC5 AN7 gb_9
4854 AN7 AC8 gb_9
4855 AC2* AO2* gb_19
4856 AC2* AC3* gb_25
4857 AO2* AH2* gb_1
4858 AC3* AO3* gb_19
4859 AO3* AH3* gb_1
4860 NC5* NC4* gb_25
4861 NC4* NO4* gb_19
4862 NC4* NC3* gb_25
4863 NO4* NC1* gb_19
4864 NC1* NN1 gb_22
4865 NC1* NC2* gb_25
4866 NN1 NC6 gb_16
4867 NN1 NC2 gb_16
4868 NC6 NC5 gb_15
4869 NC2 NC3 gb_15
4870 NC3 NC4 gb_14
4871 NC3 NC7 gb_26
4872 NC4 NC5 gb_14
4873 NC7 NO7 gb_4
4874 NC7 NN7 gb_8
4875 NN7 NH71 gb_2
4876 NN7 NH72 gb_2
4877 NC2* NO2* gb_19
4878 NC2* NC3* gb_25
4879 NO2* NH2* gb_1
4880 NC3* NO3* gb_19
4881 NO3* NH3* gb_1
4882 [ exclusions ]
4883 ; ai aj
4884 AC1* AN3
4885 AC1* AC5
4886 AC1* AN7
4887 AN9 AC2
4888 AN9 AC6
4889 AC4 AN1
4890 AC4 AN6
4891 AN3 AC6
4892 AN3 AN7
4893 AN3 AC8
4894 AC2 AN6
4895 AC2 AC5
4896 AN1 AN7
4897 AC6 AC8
4898 AN6 AN7
4899 NC1* NC3
4900 NC1* NC5
4901 NN1 NC4
4902 NN1 NC7
4903 NC6 NC3
4904 NC2 NC5
4905 NC5 NC7
4906 [ angles ]
4907 ; ai aj ak gromos type
4908 AO1P AP AO2P ga_28
4909 AO1P AP AO5* ga_13
4910 AO1P AP O3P ga_13
4911 AO2P AP AO5* ga_13
4912 AO2P AP O3P ga_13
4913 AO5* AP O3P ga_4
4914 AP AO5* AC5* ga_25
4915 AP O3P NP ga_25
4916 O3P NP NO1P ga_13
4917 O3P NP NO2P ga_13
4918 O3P NP NO5* ga_4
4919 NO1P NP NO2P ga_28
4920 NO1P NP NO5* ga_13
4921 NO2P NP NO5* ga_13
4922 NP NO5* NC5* ga_25
4923 AO5* AC5* AC4* ga_8
4924 AC5* AC4* AO4* ga_8
4925 AC5* AC4* AC3* ga_7
4926 AO4* AC4* AC3* ga_8
4927 AC4* AO4* AC1* ga_9
4928 AO4* AC1* AN9 ga_8
4929 AO4* AC1* AC2* ga_8
4930 AN9 AC1* AC2* ga_8
4931 AC1* AN9 AC4 ga_36
4932 AC1* AN9 AC8 ga_36
4933 AC4 AN9 AC8 ga_6
4934 AN9 AC4 AN3 ga_38
4935 AN9 AC4 AC5 ga_6
4936 AN3 AC4 AC5 ga_26
4937 AC4 AN3 AC2 ga_26
4938 AN3 AC2 AN1 ga_26
4939 AC2 AN1 AC6 ga_26
4940 AN1 AC6 AN6 ga_26
4941 AN1 AC6 AC5 ga_26
4942 AN6 AC6 AC5 ga_26
4943 AC6 AN6 AH61 ga_22
4944 AC6 AN6 AH62 ga_22
4945 AH61 AN6 AH62 ga_23
4946 AC4 AC5 AC6 ga_26
4947 AC4 AC5 AN7 ga_6
4948 AC6 AC5 AN7 ga_38
4949 AC5 AN7 AC8 ga_6
4950 AN9 AC8 AN7 ga_6
4951 AC1* AC2* AO2* ga_8
4952 AC1* AC2* AC3* ga_7
4953 AO2* AC2* AC3* ga_8
4954 AC2* AO2* AH2* ga_11
4955 AC4* AC3* AC2* ga_7
4956 AC4* AC3* AO3* ga_8
4957 AC2* AC3* AO3* ga_8
4958 AC3* AO3* AH3* ga_11
4959 NO5* NC5* NC4* ga_8
4960 NC5* NC4* NO4* ga_8
4961 NC5* NC4* NC3* ga_7
4962 NO4* NC4* NC3* ga_8
4963 NC4* NO4* NC1* ga_9
4964 NO4* NC1* NN1 ga_8
4965 NO4* NC1* NC2* ga_8
4966 NN1 NC1* NC2* ga_7
4967 NC1* NN1 NC6 ga_26
4968 NC1* NN1 NC2 ga_26
4969 NC6 NN1 NC2 ga_26
4970 NN1 NC6 NC5 ga_26
4971 NN1 NC2 NC3 ga_26
4972 NC2 NC3 NC4 ga_26
4973 NC2 NC3 NC7 ga_26
4974 NC4 NC3 NC7 ga_26
4975 NC3 NC4 NC5 ga_26
4976 NC6 NC5 NC4 ga_26
4977 NC3 NC7 NO7 ga_29
4978 NC3 NC7 NN7 ga_18
4979 NO7 NC7 NN7 ga_32
4980 NC7 NN7 NH71 ga_22
4981 NC7 NN7 NH72 ga_22
4982 NH71 NN7 NH72 ga_23
4983 NC1* NC2* NO2* ga_8
4984 NC1* NC2* NC3* ga_7
4985 NO2* NC2* NC3* ga_8
4986 NC2* NO2* NH2* ga_11
4987 NC4* NC3* NC2* ga_7
4988 NC4* NC3* NO3* ga_8
4989 NC2* NC3* NO3* ga_8
4990 NC3* NO3* NH3* ga_11
4991 [ impropers ]
4992 ; ai aj ak al gromos type
4993 AC4* AO4* AC5* AC3* gi_2
4994 AC3* AC2* AO3* AC4* gi_2
4995 AC2* AO2* AC3* AC1* gi_2
4996 AC1* AN9 AO4* AC2* gi_2
4997 AN9 AC8 AC4 AC1* gi_1
4998 AC4 AN9 AC8 AN7 gi_1
4999 AC8 AN9 AC4 AC5 gi_1
5000 AN9 AC8 AN7 AC5 gi_1
5001 AN9 AC4 AC5 AN7 gi_1
5002 AC8 AN7 AC5 AC4 gi_1
5003 AC4 AN9 AN3 AC5 gi_1
5004 AC5 AC6 AN7 AC4 gi_1
5005 AN3 AC4 AC5 AC6 gi_1
5006 AC4 AC5 AC6 AN1 gi_1
5007 AC5 AC4 AN3 AC2 gi_1
5008 AC5 AC6 AN1 AC2 gi_1
5009 AC4 AN3 AC2 AN1 gi_1
5010 AN3 AC2 AN1 AC6 gi_1
5011 AC6 AC5 AN1 AN6 gi_1
5012 AN6 AH61 AH62 AC6 gi_1
5013 NC4* NO4* NC5* NC3* gi_1
5014 NC3* NC2* NO3* NC4* gi_1
5015 NC2* NO2* NC3* NC1* gi_1
5016 NC1* NN1 NO4* NC2* gi_1
5017 NN1 NC6 NC2 NC1* gi_1
5018 NC2 NN1 NC6 NC5 gi_1
5019 NC6 NN1 NC2 NC3 gi_1
5020 NN1 NC6 NC5 NC4 gi_1
5021 NN1 NC2 NC3 NC4 gi_1
5022 NC6 NC5 NC4 NC3 gi_1
5023 NC2 NC3 NC4 NC5 gi_1
5024 NC3 NC4 NC2 NC7 gi_1
5025 NC7 NO7 NN7 NC3 gi_1
5026 NN7 NH71 NH72 NC7 gi_1
5027 [ dihedrals ]
5028 ; ai aj ak al gromos type
5029 AO5* AP O3P NP gd_11
5030 AO5* AP O3P NP gd_9
5031 O3P AP AO5* AC5* gd_11
5032 O3P AP AO5* AC5* gd_9
5033 AP AO5* AC5* AC4* gd_14
5034 AO5* AC5* AC4* AC3* gd_17
5035 AO5* AC5* AC4* AC3* gd_7
5036 AO5* AC5* AC4* AO4* gd_8
5037 AC5* AC4* AC3* AC2* gd_17
5038 AC5* AC4* AC3* AO3* gd_7
5039 AO4* AC4* AC3* AC2* gd_7
5040 AO4* AC4* AC3* AO3* gd_8
5041 AC4* AC3* AC2* AC1* gd_17
5042 AO3* AC3* AC2* AC1* gd_7
5043 AC4* AC3* AC2* AO2* gd_7
5044 AO3* AC3* AC2* AO2* gd_8
5045 AC3* AC2* AC1* AO4* gd_17
5046 AC3* AC2* AC1* AO4* gd_7
5047 AO2* AC2* AC1* AN9 gd_7
5048 AO2* AC2* AC1* AO4* gd_8
5049 AC3* AC4* AO4* AC1* gd_14
5050 AC4* AO4* AC1* AC2* gd_14
5051 AC1* AC2* AO2* AH2* gd_12
5052 AC4* AC3* AO3* AH3* gd_12
5053 AO4* AC1* AN9 AC4 gd_6
5054 AC5 AC6 AN6 AH61 gd_4
5055 AP O3P NP NO5* gd_11
5056 AP O3P NP NO5* gd_9
5057 O3P NP NO5* NC5* gd_11
5058 O3P NP NO5* NC5* gd_9
5059 NP NO5* NC5* NC4* gd_14
5060 NO5* NC5* NC4* NC3* gd_17
5061 NO5* NC5* NC4* NC3* gd_7
5062 NO5* NC5* NC4* NO4* gd_8
5063 NC5* NC4* NC3* NC2* gd_17
5064 NC5* NC4* NC3* NO3* gd_7
5065 NO4* NC4* NC3* NC2* gd_7
5066 NO4* NC4* NC3* NO3* gd_8
5067 NC4* NC3* NC2* NC1* gd_17
5068 NO3* NC3* NC2* NC1* gd_7
5069 NC4* NC3* NC2* NO2* gd_7
5070 NO3* NC3* NC2* NO2* gd_8
5071 NC3* NC2* NC1* NO4* gd_17
5072 NC3* NC2* NC1* NO4* gd_7
5073 NO2* NC2* NC1* NN1 gd_7
5074 NO2* NC2* NC1* NO4* gd_8
5075 NC3* NC4* NO4* NC1* gd_14
5076 NC4* NO4* NC1* NC2* gd_14
5077 NC1* NC2* NO2* NH2* gd_12
5078 NC4* NC3* NO3* NH3* gd_12
5079 NO4* NC1* NN1 NC2 gd_6
5080 NC2 NC3 NC7 NN7 gd_1
5081 NC3 NC7 NN7 NH71 gd_4
5083 [ NDPH ]
5084 [ atoms ]
5085 AP P 0.76000 0
5086 AO1P OM -0.63500 0
5087 AO2P OM -0.63500 0
5088 AO5* OA -0.36000 0
5089 O3P OA -0.26000 1
5090 NP P 0.76000 1
5091 NO1P OM -0.63500 1
5092 NO2P OM -0.63500 1
5093 NO5* OA -0.36000 1
5094 AC5* CH2 0.00000 2
5095 AC4* CH1 0.16000 3
5096 AO4* OA -0.36000 3
5097 AC1* CH1 0.20000 3
5098 AN9 NR -0.20000 4
5099 AC4 C 0.20000 4
5100 AN3 NR -0.36000 5
5101 AC2 CR1 0.36000 5
5102 AN1 NR -0.36000 6
5103 AC6 C 0.36000 6
5104 AN6 NT -0.83000 7
5105 AH61 H 0.41500 7
5106 AH62 H 0.41500 7
5107 AC5 C 0.00000 8
5108 AN7 NR -0.36000 8
5109 AC8 CR1 0.36000 8
5110 AC2* CH1 0.15000 9
5111 AO2* OA -0.36000 9
5112 AP2* P 0.63000 9
5113 AO6* OM -0.63500 9
5114 AO7* OM -0.63500 9
5115 AO8* OA -0.54800 9
5116 AH8* H 0.39800 9
5117 AC3* CH1 0.15000 10
5118 AO3* OA -0.54800 10
5119 AH3* H 0.39800 10
5120 NC5* CH2 0.00000 11
5121 NC4* CH1 0.16000 12
5122 NO4* OA -0.36000 12
5123 NC1* CH1 0.20000 12
5124 NN1 NR -0.20000 13
5125 NC6 CR1 0.20000 13
5126 NC2 CR1 0.00000 13
5127 NC3 C 0.00000 13
5128 NC4 CH2 0.00000 13
5129 NC5 CR1 0.00000 13
5130 NC7 C 0.38000 14
5131 NO7 O -0.38000 14
5132 NN7 NT -0.83000 15
5133 NH71 H 0.41500 15
5134 NH72 H 0.41500 15
5135 NC2* CH1 0.15000 16
5136 NO2* OA -0.54800 16
5137 NH2* H 0.39800 16
5138 NC3* CH1 0.15000 17
5139 NO3* OA -0.54800 17
5140 NH3* H 0.39800 17
5141 [ bonds ]
5142 AP AO1P gb_23
5143 AP AO2P gb_23
5144 AP AO5* gb_27
5145 AP O3P gb_27
5146 AO5* AC5* gb_19
5147 O3P NP gb_27
5148 NP NO1P gb_23
5149 NP NO2P gb_23
5150 NP NO5* gb_27
5151 NO5* NC5* gb_19
5152 AC5* AC4* gb_25
5153 AC4* AO4* gb_19
5154 AC4* AC3* gb_25
5155 AO4* AC1* gb_19
5156 AC1* AN9 gb_21
5157 AC1* AC2* gb_25
5158 AN9 AC4 gb_9
5159 AN9 AC8 gb_9
5160 AC4 AN3 gb_11
5161 AC4 AC5 gb_15
5162 AN3 AC2 gb_6
5163 AC2 AN1 gb_6
5164 AN1 AC6 gb_11
5165 AC6 AN6 gb_8
5166 AC6 AC5 gb_15
5167 AN6 AH61 gb_2
5168 AN6 AH62 gb_2
5169 AC5 AN7 gb_9
5170 AN7 AC8 gb_9
5171 AC2* AO2* gb_19
5172 AC2* AC3* gb_25
5173 AO2* AP2* gb_27
5174 AP2* AO6* gb_23
5175 AP2* AO7* gb_23
5176 AP2* AO8* gb_27
5177 AO8* AH8* gb_1
5178 AC3* AO3* gb_19
5179 AO3* AH3* gb_1
5180 NC5* NC4* gb_25
5181 NC4* NO4* gb_19
5182 NC4* NC3* gb_25
5183 NO4* NC1* gb_19
5184 NC1* NN1 gb_22
5185 NC1* NC2* gb_25
5186 NN1 NC6 gb_16
5187 NN1 NC2 gb_16
5188 NC6 NC5 gb_15
5189 NC2 NC3 gb_15
5190 NC3 NC4 gb_14
5191 NC3 NC7 gb_26
5192 NC4 NC5 gb_14
5193 NC7 NO7 gb_4
5194 NC7 NN7 gb_8
5195 NN7 NH71 gb_2
5196 NN7 NH72 gb_2
5197 NC2* NO2* gb_19
5198 NC2* NC3* gb_25
5199 NO2* NH2* gb_1
5200 NC3* NO3* gb_19
5201 NO3* NH3* gb_1
5202 [ exclusions ]
5203 ; ai aj
5204 AC1* AN3
5205 AC1* AC5
5206 AC1* AN7
5207 AN9 AC2
5208 AN9 AC6
5209 AC4 AN1
5210 AC4 AN6
5211 AN3 AC6
5212 AN3 AN7
5213 AN3 AC8
5214 AC2 AN6
5215 AC2 AC5
5216 AN1 AN7
5217 AC6 AC8
5218 AN6 AN7
5219 AO2* AH8*
5220 AO6* AH8*
5221 AO7* AH8*
5222 NC1* NC3
5223 NC1* NC5
5224 NN1 NC4
5225 NN1 NC7
5226 NC6 NC3
5227 NC2 NC5
5228 NC5 NC7
5229 [ angles ]
5230 ; ai aj ak gromos type
5231 AO1P AP AO2P ga_28
5232 AO1P AP AO5* ga_13
5233 AO1P AP O3P ga_13
5234 AO2P AP AO5* ga_13
5235 AO2P AP O3P ga_13
5236 AO5* AP O3P ga_4
5237 AP AO5* AC5* ga_25
5238 AP O3P NP ga_25
5239 O3P NP NO1P ga_13
5240 O3P NP NO2P ga_13
5241 O3P NP NO5* ga_4
5242 NO1P NP NO2P ga_28
5243 NO1P NP NO5* ga_13
5244 NO2P NP NO5* ga_13
5245 NP NO5* NC5* ga_25
5246 AO5* AC5* AC4* ga_8
5247 AC5* AC4* AO4* ga_8
5248 AC5* AC4* AC3* ga_7
5249 AO4* AC4* AC3* ga_8
5250 AC4* AO4* AC1* ga_9
5251 AO4* AC1* AN9 ga_8
5252 AO4* AC1* AC2* ga_8
5253 AN9 AC1* AC2* ga_8
5254 AC1* AN9 AC4 ga_36
5255 AC1* AN9 AC8 ga_36
5256 AC4 AN9 AC8 ga_6
5257 AN9 AC4 AN3 ga_38
5258 AN9 AC4 AC5 ga_6
5259 AN3 AC4 AC5 ga_26
5260 AC4 AN3 AC2 ga_26
5261 AN3 AC2 AN1 ga_26
5262 AC2 AN1 AC6 ga_26
5263 AN1 AC6 AN6 ga_26
5264 AN1 AC6 AC5 ga_26
5265 AN6 AC6 AC5 ga_26
5266 AC6 AN6 AH61 ga_22
5267 AC6 AN6 AH62 ga_22
5268 AH61 AN6 AH62 ga_23
5269 AC4 AC5 AC6 ga_26
5270 AC4 AC5 AN7 ga_6
5271 AC6 AC5 AN7 ga_38
5272 AC5 AN7 AC8 ga_6
5273 AN9 AC8 AN7 ga_6
5274 AC1* AC2* AO2* ga_8
5275 AC1* AC2* AC3* ga_7
5276 AO2* AC2* AC3* ga_8
5277 AC2* AO2* AP2* ga_25
5278 AO2* AP2* AO6* ga_13
5279 AO2* AP2* AO7* ga_13
5280 AO2* AP2* AO8* ga_4
5281 AO6* AP2* AO7* ga_28
5282 AO6* AP2* AO8* ga_13
5283 AO7* AP2* AO8* ga_13
5284 AP2* AO8* AH8* ga_11
5285 AC4* AC3* AC2* ga_7
5286 AC4* AC3* AO3* ga_8
5287 AC2* AC3* AO3* ga_8
5288 AC3* AO3* AH3* ga_11
5289 NO5* NC5* NC4* ga_8
5290 NC5* NC4* NO4* ga_8
5291 NC5* NC4* NC3* ga_7
5292 NO4* NC4* NC3* ga_8
5293 NC4* NO4* NC1* ga_9
5294 NO4* NC1* NN1 ga_8
5295 NO4* NC1* NC2* ga_8
5296 NN1 NC1* NC2* ga_7
5297 NC1* NN1 NC6 ga_26
5298 NC1* NN1 NC2 ga_26
5299 NC6 NN1 NC2 ga_26
5300 NN1 NC6 NC5 ga_26
5301 NN1 NC2 NC3 ga_26
5302 NC2 NC3 NC4 ga_26
5303 NC2 NC3 NC7 ga_26
5304 NC4 NC3 NC7 ga_26
5305 NC3 NC4 NC5 ga_26
5306 NC6 NC5 NC4 ga_26
5307 NC3 NC7 NO7 ga_29
5308 NC3 NC7 NN7 ga_18
5309 NO7 NC7 NN7 ga_32
5310 NC7 NN7 NH71 ga_22
5311 NC7 NN7 NH72 ga_22
5312 NH71 NN7 NH72 ga_23
5313 NC1* NC2* NO2* ga_8
5314 NC1* NC2* NC3* ga_7
5315 NO2* NC2* NC3* ga_8
5316 NC2* NO2* NH2* ga_11
5317 NC4* NC3* NC2* ga_7
5318 NC4* NC3* NO3* ga_8
5319 NC2* NC3* NO3* ga_8
5320 NC3* NO3* NH3* ga_11
5321 [ impropers ]
5322 ; ai aj ak al gromos type
5323 AC4* AO4* AC5* AC3* gi_2
5324 AC3* AC2* AO3* AC4* gi_2
5325 AC2* AO2* AC3* AC1* gi_2
5326 AC1* AN9 AO4* AC2* gi_2
5327 AN9 AC8 AC4 AC1* gi_1
5328 AC4 AN9 AC8 AN7 gi_1
5329 AC8 AN9 AC4 AC5 gi_1
5330 AN9 AC8 AN7 AC5 gi_1
5331 AN9 AC4 AC5 AN7 gi_1
5332 AC8 AN7 AC5 AC4 gi_1
5333 AC4 AN9 AN3 AC5 gi_1
5334 AC5 AC6 AN7 AC4 gi_1
5335 AN3 AC4 AC5 AC6 gi_1
5336 AC4 AC5 AC6 AN1 gi_1
5337 AC5 AC4 AN3 AC2 gi_1
5338 AC5 AC6 AN1 AC2 gi_1
5339 AC4 AN3 AC2 AN1 gi_1
5340 AN3 AC2 AN1 AC6 gi_1
5341 AC6 AC5 AN1 AN6 gi_1
5342 AN6 AH61 AH62 AC6 gi_1
5343 NC4* NO4* NC5* NC3* gi_2
5344 NC3* NC2* NO3* NC4* gi_2
5345 NC2* NO2* NC3* NC1* gi_2
5346 NC1* NN1 NO4* NC2* gi_2
5347 NN1 NC6 NC2 NC1* gi_1
5348 NC2 NN1 NC6 NC5 gi_1
5349 NC6 NN1 NC2 NC3 gi_1
5350 NN1 NC6 NC5 NC4 gi_1
5351 NN1 NC2 NC3 NC4 gi_1
5352 NC6 NC5 NC4 NC3 gi_1
5353 NC2 NC3 NC4 NC5 gi_1
5354 NC3 NC4 NC2 NC7 gi_1
5355 NC7 NO7 NN7 NC3 gi_1
5356 NN7 NH71 NH72 NC7 gi_1
5357 [ dihedrals ]
5358 ; ai aj ak al gromos type
5359 AO5* AP O3P NP gd_11
5360 AO5* AP O3P NP gd_9
5361 O3P AP AO5* AC5* gd_11
5362 O3P AP AO5* AC5* gd_9
5363 AP AO5* AC5* AC4* gd_14
5364 AO5* AC5* AC4* AC3* gd_17
5365 AO5* AC5* AC4* AC3* gd_7
5366 AO5* AC5* AC4* AO4* gd_8
5367 AC5* AC4* AC3* AC2* gd_17
5368 AC5* AC4* AC3* AO3* gd_7
5369 AO4* AC4* AC3* AC2* gd_7
5370 AO4* AC4* AC3* AO3* gd_8
5371 AC4* AC3* AC2* AC1* gd_17
5372 AO3* AC3* AC2* AC1* gd_7
5373 AC4* AC3* AC2* AO2* gd_7
5374 AO3* AC3* AC2* AO2* gd_8
5375 AC3* AC2* AC1* AO4* gd_17
5376 AC3* AC2* AC1* AO4* gd_7
5377 AO2* AC2* AC1* AN9 gd_7
5378 AO2* AC2* AC1* AO4* gd_8
5379 AC3* AC4* AO4* AC1* gd_14
5380 AC4* AO4* AC1* AC2* gd_14
5381 AC1* AC2* AO2* AP2* gd_12
5382 AC2* AO2* AP2* AO8* gd_11
5383 AC2* AO2* AP2* AO8* gd_9
5384 AO2* AP2* AO8* AH8* gd_11
5385 AO2* AP2* AO8* AH8* gd_9
5386 AC4* AC3* AO3* AH3* gd_12
5387 AO4* AC1* AN9 AC4 gd_6
5388 AC5 AC6 AN6 AH61 gd_4
5389 AP O3P NP NO5* gd_11
5390 AP O3P NP NO5* gd_9
5391 O3P NP NO5* NC5* gd_11
5392 O3P NP NO5* NC5* gd_9
5393 NP NO5* NC5* NC4* gd_14
5394 NO5* NC5* NC4* NC3* gd_17
5395 NO5* NC5* NC4* NC3* gd_7
5396 NO5* NC5* NC4* NO4* gd_8
5397 NC5* NC4* NC3* NC2* gd_17
5398 NC5* NC4* NC3* NO3* gd_7
5399 NO4* NC4* NC3* NC2* gd_7
5400 NO4* NC4* NC3* NO3* gd_8
5401 NC4* NC3* NC2* NC1* gd_17
5402 NO3* NC3* NC2* NC1* gd_7
5403 NC4* NC3* NC2* NO2* gd_7
5404 NO3* NC3* NC2* NO2* gd_8
5405 NC3* NC2* NC1* NO4* gd_17
5406 NC3* NC2* NC1* NO4* gd_7
5407 NO2* NC2* NC1* NN1 gd_7
5408 NO2* NC2* NC1* NO4* gd_8
5409 NC3* NC4* NO4* NC1* gd_14
5410 NC4* NO4* NC1* NC2* gd_14
5411 NC1* NC2* NO2* NH2* gd_12
5412 NC4* NC3* NO3* NH3* gd_12
5413 NO4* NC1* NN1 NC2 gd_6
5414 NC2 NC3 NC7 NN7 gd_1
5415 NC3 NC7 NN7 NH71 gd_4
5417 [ NDPP ]
5418 [ atoms ]
5419 AP P 0.76000 0
5420 AO1P OM -0.63500 0
5421 AO2P OM -0.63500 0
5422 AO5* OA -0.36000 0
5423 O3P OA -0.26000 1
5424 NP P 0.76000 1
5425 NO1P OM -0.63500 1
5426 NO2P OM -0.63500 1
5427 NO5* OA -0.36000 1
5428 AC5* CH2 0.00000 2
5429 AC4* CH1 0.16000 3
5430 AO4* OA -0.36000 3
5431 AC1* CH1 0.20000 3
5432 AN9 NR -0.20000 4
5433 AC4 C 0.20000 4
5434 AN3 NR -0.36000 5
5435 AC2 CR1 0.36000 5
5436 AN1 NR -0.36000 6
5437 AC6 C 0.36000 6
5438 AN6 NT -0.83000 7
5439 AH61 H 0.41500 7
5440 AH62 H 0.41500 7
5441 AC5 C 0.00000 8
5442 AN7 NR -0.36000 8
5443 AC8 CR1 0.36000 8
5444 AC2* CH1 0.15000 9
5445 AO2* OA -0.36000 9
5446 AP2* P 0.63000 9
5447 AO6* OM -0.63500 9
5448 AO7* OM -0.63500 9
5449 AO8* OA -0.54800 9
5450 AH8* H 0.39800 9
5451 AC3* CH1 0.15000 10
5452 AO3* OA -0.54800 10
5453 AH3* H 0.39800 10
5454 NC5* CH2 0.00000 11
5455 NC4* CH1 0.16000 12
5456 NO4* OA -0.36000 12
5457 NC1* CH1 0.20000 12
5458 NN1 NR 0.10000 13
5459 NC6 CR1 0.30000 13
5460 NC2 CR1 0.25000 13
5461 NC3 C 0.00000 13
5462 NC4 CR1 0.25000 13
5463 NC5 CR1 0.10000 13
5464 NC7 C 0.38000 14
5465 NO7 O -0.38000 14
5466 NN7 NT -0.83000 15
5467 NH71 H 0.41500 15
5468 NH72 H 0.41500 15
5469 NC2* CH1 0.15000 16
5470 NO2* OA -0.54800 16
5471 NH2* H 0.39800 16
5472 NC3* CH1 0.15000 17
5473 NO3* OA -0.54800 17
5474 NH3* H 0.39800 17
5475 [ bonds ]
5476 AP AO1P gb_23
5477 AP AO2P gb_23
5478 AP AO5* gb_27
5479 AP O3P gb_27
5480 AO5* AC5* gb_19
5481 O3P NP gb_27
5482 NP NO1P gb_23
5483 NP NO2P gb_23
5484 NP NO5* gb_27
5485 NO5* NC5* gb_19
5486 AC5* AC4* gb_25
5487 AC4* AO4* gb_19
5488 AC4* AC3* gb_25
5489 AO4* AC1* gb_19
5490 AC1* AN9 gb_21
5491 AC1* AC2* gb_25
5492 AN9 AC4 gb_9
5493 AN9 AC8 gb_9
5494 AC4 AN3 gb_11
5495 AC4 AC5 gb_15
5496 AN3 AC2 gb_6
5497 AC2 AN1 gb_6
5498 AN1 AC6 gb_11
5499 AC6 AN6 gb_8
5500 AC6 AC5 gb_15
5501 AN6 AH61 gb_2
5502 AN6 AH62 gb_2
5503 AC5 AN7 gb_9
5504 AN7 AC8 gb_9
5505 AC2* AO2* gb_19
5506 AC2* AC3* gb_25
5507 AO2* AP2* gb_27
5508 AP2* AO6* gb_23
5509 AP2* AO7* gb_23
5510 AP2* AO8* gb_27
5511 AO8* AH8* gb_1
5512 AC3* AO3* gb_19
5513 AO3* AH3* gb_1
5514 NC5* NC4* gb_25
5515 NC4* NO4* gb_19
5516 NC4* NC3* gb_25
5517 NO4* NC1* gb_19
5518 NC1* NN1 gb_22
5519 NC1* NC2* gb_25
5520 NN1 NC6 gb_16
5521 NN1 NC2 gb_16
5522 NC6 NC5 gb_15
5523 NC2 NC3 gb_15
5524 NC3 NC4 gb_15
5525 NC3 NC7 gb_26
5526 NC4 NC5 gb_15
5527 NC7 NO7 gb_4
5528 NC7 NN7 gb_8
5529 NN7 NH71 gb_2
5530 NN7 NH72 gb_2
5531 NC2* NO2* gb_19
5532 NC2* NC3* gb_25
5533 NO2* NH2* gb_1
5534 NC3* NO3* gb_19
5535 NO3* NH3* gb_1
5536 [ exclusions ]
5537 ; ai aj
5538 AC1* AN3
5539 AC1* AC5
5540 AC1* AN7
5541 AN9 AC2
5542 AN9 AC6
5543 AC4 AN1
5544 AC4 AN6
5545 AN3 AC6
5546 AN3 AN7
5547 AN3 AC8
5548 AC2 AN6
5549 AC2 AC5
5550 AN1 AN7
5551 AC6 AC8
5552 AN6 AN7
5553 AO2* AH8*
5554 AO6* AH8*
5555 AO7* AH8*
5556 NC1* NC3
5557 NC1* NC5
5558 NN1 NC4
5559 NN1 NC7
5560 NC6 NC3
5561 NC2 NC5
5562 NC5 NC7
5563 [ angles ]
5564 ; ai aj ak gromos type
5565 AO1P AP AO2P ga_28
5566 AO1P AP AO5* ga_13
5567 AO1P AP O3P ga_13
5568 AO2P AP AO5* ga_13
5569 AO2P AP O3P ga_13
5570 AO5* AP O3P ga_4
5571 AP AO5* AC5* ga_25
5572 AP O3P NP ga_25
5573 O3P NP NO1P ga_13
5574 O3P NP NO2P ga_13
5575 O3P NP NO5* ga_4
5576 NO1P NP NO2P ga_28
5577 NO1P NP NO5* ga_13
5578 NO2P NP NO5* ga_13
5579 NP NO5* NC5* ga_25
5580 AO5* AC5* AC4* ga_8
5581 AC5* AC4* AO4* ga_8
5582 AC5* AC4* AC3* ga_7
5583 AO4* AC4* AC3* ga_8
5584 AC4* AO4* AC1* ga_9
5585 AO4* AC1* AN9 ga_8
5586 AO4* AC1* AC2* ga_8
5587 AN9 AC1* AC2* ga_8
5588 AC1* AN9 AC4 ga_36
5589 AC1* AN9 AC8 ga_36
5590 AC4 AN9 AC8 ga_6
5591 AN9 AC4 AN3 ga_38
5592 AN9 AC4 AC5 ga_6
5593 AN3 AC4 AC5 ga_26
5594 AC4 AN3 AC2 ga_26
5595 AN3 AC2 AN1 ga_26
5596 AC2 AN1 AC6 ga_26
5597 AN1 AC6 AN6 ga_26
5598 AN1 AC6 AC5 ga_26
5599 AN6 AC6 AC5 ga_26
5600 AC6 AN6 AH61 ga_22
5601 AC6 AN6 AH62 ga_22
5602 AH61 AN6 AH62 ga_23
5603 AC4 AC5 AC6 ga_26
5604 AC4 AC5 AN7 ga_6
5605 AC6 AC5 AN7 ga_38
5606 AC5 AN7 AC8 ga_6
5607 AN9 AC8 AN7 ga_6
5608 AC1* AC2* AO2* ga_8
5609 AC1* AC2* AC3* ga_7
5610 AO2* AC2* AC3* ga_8
5611 AC2* AO2* AP2* ga_25
5612 AO2* AP2* AO6* ga_13
5613 AO2* AP2* AO7* ga_13
5614 AO2* AP2* AO8* ga_4
5615 AO6* AP2* AO7* ga_28
5616 AO6* AP2* AO8* ga_13
5617 AO7* AP2* AO8* ga_13
5618 AP2* AO8* AH8* ga_11
5619 AC4* AC3* AC2* ga_7
5620 AC4* AC3* AO3* ga_8
5621 AC2* AC3* AO3* ga_8
5622 AC3* AO3* AH3* ga_11
5623 NO5* NC5* NC4* ga_8
5624 NC5* NC4* NO4* ga_8
5625 NC5* NC4* NC3* ga_7
5626 NO4* NC4* NC3* ga_8
5627 NC4* NO4* NC1* ga_9
5628 NO4* NC1* NN1 ga_8
5629 NO4* NC1* NC2* ga_8
5630 NN1 NC1* NC2* ga_7
5631 NC1* NN1 NC6 ga_26
5632 NC1* NN1 NC2 ga_26
5633 NC6 NN1 NC2 ga_26
5634 NN1 NC6 NC5 ga_26
5635 NN1 NC2 NC3 ga_26
5636 NC2 NC3 NC4 ga_26
5637 NC2 NC3 NC7 ga_26
5638 NC4 NC3 NC7 ga_26
5639 NC3 NC4 NC5 ga_26
5640 NC6 NC5 NC4 ga_26
5641 NC3 NC7 NO7 ga_29
5642 NC3 NC7 NN7 ga_18
5643 NO7 NC7 NN7 ga_32
5644 NC7 NN7 NH71 ga_22
5645 NC7 NN7 NH72 ga_22
5646 NH71 NN7 NH72 ga_23
5647 NC1* NC2* NO2* ga_8
5648 NC1* NC2* NC3* ga_7
5649 NO2* NC2* NC3* ga_8
5650 NC2* NO2* NH2* ga_11
5651 NC4* NC3* NC2* ga_7
5652 NC4* NC3* NO3* ga_8
5653 NC2* NC3* NO3* ga_8
5654 NC3* NO3* NH3* ga_11
5655 [ impropers ]
5656 ; ai aj ak al gromos type
5657 AC4* AO4* AC5* AC3* gi_2
5658 AC3* AC2* AO3* AC4* gi_2
5659 AC2* AO2* AC3* AC1* gi_2
5660 AC1* AN9 AO4* AC2* gi_2
5661 AN9 AC8 AC4 AC1* gi_1
5662 AC4 AN9 AC8 AN7 gi_1
5663 AC8 AN9 AC4 AC5 gi_1
5664 AN9 AC8 AN7 AC5 gi_1
5665 AN9 AC4 AC5 AN7 gi_1
5666 AC8 AN7 AC5 AC4 gi_1
5667 AC4 AN9 AN3 AC5 gi_1
5668 AC5 AC6 AN7 AC4 gi_1
5669 AN3 AC4 AC5 AC6 gi_1
5670 AC4 AC5 AC6 AN1 gi_1
5671 AC5 AC4 AN3 AC2 gi_1
5672 AC5 AC6 AN1 AC2 gi_1
5673 AC4 AN3 AC2 AN1 gi_1
5674 AN3 AC2 AN1 AC6 gi_1
5675 AC6 AC5 AN1 AN6 gi_1
5676 AN6 AH61 AH62 AC6 gi_1
5677 NC4* NO4* NC5* NC3* gi_2
5678 NC3* NC2* NO3* NC4* gi_2
5679 NC2* NO2* NC3* NC1* gi_2
5680 NC1* NN1 NO4* NC2* gi_2
5681 NN1 NC6 NC2 NC1* gi_1
5682 NC2 NN1 NC6 NC5 gi_1
5683 NC6 NN1 NC2 NC3 gi_1
5684 NN1 NC6 NC5 NC4 gi_1
5685 NN1 NC2 NC3 NC4 gi_1
5686 NC6 NC5 NC4 NC3 gi_1
5687 NC2 NC3 NC4 NC5 gi_1
5688 NC3 NC4 NC2 NC7 gi_1
5689 NC7 NO7 NN7 NC3 gi_1
5690 NN7 NH71 NH72 NC7 gi_1
5691 [ dihedrals ]
5692 ; ai aj ak al gromos type
5693 AO5* AP O3P NP gd_11
5694 AO5* AP O3P NP gd_9
5695 O3P AP AO5* AC5* gd_11
5696 O3P AP AO5* AC5* gd_9
5697 AP AO5* AC5* AC4* gd_14
5698 AO5* AC5* AC4* AC3* gd_17
5699 AO5* AC5* AC4* AC3* gd_7
5700 AO5* AC5* AC4* AO4* gd_8
5701 AC5* AC4* AC3* AC2* gd_17
5702 AC5* AC4* AC3* AO3* gd_7
5703 AO4* AC4* AC3* AC2* gd_7
5704 AO4* AC4* AC3* AO3* gd_8
5705 AC4* AC3* AC2* AC1* gd_17
5706 AO3* AC3* AC2* AC1* gd_7
5707 AC4* AC3* AC2* AO2* gd_7
5708 AO3* AC3* AC2* AO2* gd_8
5709 AC3* AC2* AC1* AO4* gd_17
5710 AC3* AC2* AC1* AO4* gd_7
5711 AO2* AC2* AC1* AN9 gd_7
5712 AO2* AC2* AC1* AO4* gd_8
5713 AC3* AC4* AO4* AC1* gd_14
5714 AC4* AO4* AC1* AC2* gd_14
5715 AC1* AC2* AO2* AP2* gd_12
5716 AC2* AO2* AP2* AO8* gd_11
5717 AC2* AO2* AP2* AO8* gd_9
5718 AO2* AP2* AO8* AH8* gd_11
5719 AO2* AP2* AO8* AH8* gd_9
5720 AC4* AC3* AO3* AH3* gd_12
5721 AO4* AC1* AN9 AC4 gd_6
5722 AC5 AC6 AN6 AH61 gd_4
5723 AP O3P NP NO5* gd_11
5724 AP O3P NP NO5* gd_9
5725 O3P NP NO5* NC5* gd_11
5726 O3P NP NO5* NC5* gd_9
5727 NP NO5* NC5* NC4* gd_14
5728 NO5* NC5* NC4* NC3* gd_17
5729 NO5* NC5* NC4* NC3* gd_7
5730 NO5* NC5* NC4* NO4* gd_8
5731 NC5* NC4* NC3* NC2* gd_17
5732 NC5* NC4* NC3* NO3* gd_7
5733 NO4* NC4* NC3* NC2* gd_7
5734 NO4* NC4* NC3* NO3* gd_8
5735 NC4* NC3* NC2* NC1* gd_17
5736 NO3* NC3* NC2* NC1* gd_7
5737 NC4* NC3* NC2* NO2* gd_7
5738 NO3* NC3* NC2* NO2* gd_8
5739 NC3* NC2* NC1* NO4* gd_17
5740 NC3* NC2* NC1* NO4* gd_7
5741 NO2* NC2* NC1* NN1 gd_7
5742 NO2* NC2* NC1* NO4* gd_8
5743 NC3* NC4* NO4* NC1* gd_14
5744 NC4* NO4* NC1* NC2* gd_14
5745 NC1* NC2* NO2* NH2* gd_12
5746 NC4* NC3* NO3* NH3* gd_12
5747 NO4* NC1* NN1 NC2 gd_6
5748 NC2 NC3 NC7 NN7 gd_1
5749 NC3 NC7 NN7 NH71 gd_4
5751 [ NDPHN ]
5752 [ atoms ]
5753 AP P 1.02000 0
5754 AO1P OA -0.54800 0
5755 AH1P H 0.39800 0
5756 AO2P O -0.38000 0
5757 AO5* OA -0.36000 0
5758 O3P OA -0.26000 1
5759 NP P 1.02000 1
5760 NO1P OA -0.54800 1
5761 NH1P H 0.39800 1
5762 NO2P O -0.38000 1
5763 NO5* OA -0.36000 1
5764 AC5* CH2 0.00000 2
5765 AC4* CH1 0.16000 3
5766 AO4* OA -0.36000 3
5767 AC1* CH1 0.20000 3
5768 AN9 NR -0.20000 4
5769 AC4 C 0.20000 4
5770 AN3 NR -0.36000 5
5771 AC2 CR1 0.36000 5
5772 AN1 NR -0.36000 6
5773 AC6 C 0.36000 6
5774 AN6 NT -0.83000 7
5775 AH61 H 0.41500 7
5776 AH62 H 0.41500 7
5777 AC5 C 0.00000 8
5778 AN7 NR -0.36000 8
5779 AC8 CR1 0.36000 8
5780 AC2* CH1 0.15000 9
5781 AO2* OA -0.36000 9
5782 AP2* P 0.89000 9
5783 AO6* O -0.38000 9
5784 AO7* OA -0.54800 9
5785 AH7* H 0.39800 9
5786 AO8* OA -0.54800 9
5787 AH8* H 0.39800 9
5788 AC3* CH1 0.15000 10
5789 AO3* OA -0.54800 10
5790 AH3* H 0.39800 10
5791 NC5* CH2 0.00000 11
5792 NC4* CH1 0.16000 12
5793 NO4* OA -0.36000 12
5794 NC1* CH1 0.20000 12
5795 NN1 NR -0.20000 13
5796 NC6 CR1 0.20000 13
5797 NC2 CR1 0.00000 13
5798 NC3 C 0.00000 13
5799 NC4 CH2 0.00000 13
5800 NC5 CR1 0.00000 13
5801 NC7 C 0.38000 14
5802 NO7 O -0.38000 14
5803 NN7 NT -0.83000 15
5804 NH71 H 0.41500 15
5805 NH72 H 0.41500 15
5806 NC2* CH1 0.15000 16
5807 NO2* OA -0.54800 16
5808 NH2* H 0.39800 16
5809 NC3* CH1 0.15000 17
5810 NO3* OA -0.54800 17
5811 NH3* H 0.39800 17
5812 [ bonds ]
5813 AP AO1P gb_27
5814 AO1P AH1P gb_1
5815 AP AO2P gb_23
5816 AP AO5* gb_27
5817 AP O3P gb_27
5818 AO5* AC5* gb_19
5819 O3P NP gb_27
5820 NP NO1P gb_27
5821 NO1P NH1P gb_1
5822 NP NO2P gb_23
5823 NP NO5* gb_27
5824 NO5* NC5* gb_19
5825 AC5* AC4* gb_25
5826 AC4* AO4* gb_19
5827 AC4* AC3* gb_25
5828 AO4* AC1* gb_19
5829 AC1* AN9 gb_21
5830 AC1* AC2* gb_25
5831 AN9 AC4 gb_9
5832 AN9 AC8 gb_9
5833 AC4 AN3 gb_11
5834 AC4 AC5 gb_15
5835 AN3 AC2 gb_6
5836 AC2 AN1 gb_6
5837 AN1 AC6 gb_11
5838 AC6 AN6 gb_8
5839 AC6 AC5 gb_15
5840 AN6 AH61 gb_2
5841 AN6 AH62 gb_2
5842 AC5 AN7 gb_9
5843 AN7 AC8 gb_9
5844 AC2* AO2* gb_19
5845 AC2* AC3* gb_25
5846 AO2* AP2* gb_27
5847 AP2* AO6* gb_23
5848 AP2* AO7* gb_27
5849 AP2* AO8* gb_27
5850 AO7* AH7* gb_1
5851 AO8* AH8* gb_1
5852 AC3* AO3* gb_19
5853 AO3* AH3* gb_1
5854 NC5* NC4* gb_25
5855 NC4* NO4* gb_19
5856 NC4* NC3* gb_25
5857 NO4* NC1* gb_19
5858 NC1* NN1 gb_22
5859 NC1* NC2* gb_25
5860 NN1 NC6 gb_16
5861 NN1 NC2 gb_16
5862 NC6 NC5 gb_15
5863 NC2 NC3 gb_15
5864 NC3 NC4 gb_14
5865 NC3 NC7 gb_26
5866 NC4 NC5 gb_14
5867 NC7 NO7 gb_4
5868 NC7 NN7 gb_8
5869 NN7 NH71 gb_2
5870 NN7 NH72 gb_2
5871 NC2* NO2* gb_19
5872 NC2* NC3* gb_25
5873 NO2* NH2* gb_1
5874 NC3* NO3* gb_19
5875 NO3* NH3* gb_1
5876 [ exclusions ]
5877 ; ai aj
5878 AH1P AO2P
5879 AH1P AO5*
5880 AH1P O3P
5881 O3P NH1P
5882 NH1P NO2P
5883 NH1P NO5*
5884 AC1* AN3
5885 AC1* AC5
5886 AC1* AN7
5887 AN9 AC2
5888 AN9 AC6
5889 AC4 AN1
5890 AC4 AN6
5891 AN3 AC6
5892 AN3 AN7
5893 AN3 AC8
5894 AC2 AN6
5895 AC2 AC5
5896 AN1 AN7
5897 AC6 AC8
5898 AN6 AN7
5899 AO2* AH7*
5900 AO2* AH8*
5901 AO6* AH7*
5902 AO6* AH8*
5903 AO7* AH8*
5904 AH7* AO8*
5905 AH7* AH8*
5906 NC1* NC3
5907 NC1* NC5
5908 NN1 NC4
5909 NN1 NC7
5910 NC6 NC3
5911 NC2 NC5
5912 NC5 NC7
5913 [ angles ]
5914 ; ai aj ak gromos type
5915 AP AO1P AH1P ga_11
5916 AO1P AP AO2P ga_13
5917 AO1P AP AO5* ga_13
5918 AO1P AP O3P ga_13
5919 AO2P AP AO5* ga_13
5920 AO2P AP O3P ga_13
5921 AO5* AP O3P ga_13
5922 AP AO5* AC5* ga_25
5923 AP O3P NP ga_25
5924 O3P NP NO1P ga_13
5925 O3P NP NO2P ga_13
5926 O3P NP NO5* ga_13
5927 NO1P NP NO2P ga_13
5928 NO1P NP NO5* ga_13
5929 NO2P NP NO5* ga_13
5930 NP NO1P NH1P ga_11
5931 NP NO5* NC5* ga_25
5932 AO5* AC5* AC4* ga_8
5933 AC5* AC4* AO4* ga_8
5934 AC5* AC4* AC3* ga_7
5935 AO4* AC4* AC3* ga_8
5936 AC4* AO4* AC1* ga_9
5937 AO4* AC1* AN9 ga_8
5938 AO4* AC1* AC2* ga_8
5939 AN9 AC1* AC2* ga_8
5940 AC1* AN9 AC4 ga_36
5941 AC1* AN9 AC8 ga_36
5942 AC4 AN9 AC8 ga_6
5943 AN9 AC4 AN3 ga_38
5944 AN9 AC4 AC5 ga_6
5945 AC5 AC4 AN3 ga_26
5946 AC4 AN3 AC2 ga_26
5947 AN3 AC2 AN1 ga_26
5948 AC2 AN1 AC6 ga_26
5949 AN1 AC6 AN6 ga_26
5950 AN1 AC6 AC5 ga_26
5951 AN6 AC6 AC5 ga_26
5952 AC6 AN6 AH61 ga_22
5953 AC6 AN6 AH62 ga_22
5954 AH61 AN6 AH62 ga_23
5955 AC4 AC5 AC6 ga_26
5956 AC4 AC5 AN7 ga_6
5957 AC6 AC5 AN7 ga_38
5958 AC5 AN7 AC8 ga_6
5959 AN9 AC8 AN7 ga_6
5960 AC1* AC2* AO2* ga_8
5961 AC1* AC2* AC3* ga_7
5962 AO2* AC2* AC3* ga_8
5963 AC2* AO2* AP2* ga_25
5964 AO2* AP2* AO6* ga_13
5965 AO2* AP2* AO7* ga_13
5966 AO2* AP2* AO8* ga_13
5967 AO6* AP2* AO7* ga_13
5968 AO6* AP2* AO8* ga_13
5969 AO7* AP2* AO8* ga_13
5970 AP2* AO7* AH7* ga_11
5971 AP2* AO8* AH8* ga_11
5972 AC4* AC3* AC2* ga_7
5973 AC4* AC3* AO3* ga_8
5974 AC2* AC3* AO3* ga_8
5975 AC3* AO3* AH3* ga_11
5976 NO5* NC5* NC4* ga_8
5977 NC5* NC4* NO4* ga_8
5978 NC5* NC4* NC3* ga_7
5979 NO4* NC4* NC3* ga_8
5980 NC4* NO4* NC1* ga_9
5981 NO4* NC1* NN1 ga_8
5982 NO4* NC1* NC2* ga_8
5983 NN1 NC1* NC2* ga_7
5984 NC1* NN1 NC6 ga_26
5985 NC1* NN1 NC2 ga_26
5986 NC6 NN1 NC2 ga_26
5987 NN1 NC6 NC5 ga_26
5988 NN1 NC2 NC3 ga_26
5989 NC2 NC3 NC4 ga_26
5990 NC2 NC3 NC7 ga_26
5991 NC4 NC3 NC7 ga_26
5992 NC3 NC4 NC5 ga_26
5993 NC6 NC5 NC4 ga_26
5994 NC3 NC7 NO7 ga_29
5995 NC3 NC7 NN7 ga_18
5996 NO7 NC7 NN7 ga_32
5997 NC7 NN7 NH71 ga_22
5998 NC7 NN7 NH72 ga_22
5999 NH71 NN7 NH72 ga_23
6000 NC1* NC2* NO2* ga_8
6001 NC1* NC2* NC3* ga_7
6002 NO2* NC2* NC3* ga_8
6003 NC2* NO2* NH2* ga_11
6004 NC4* NC3* NC2* ga_7
6005 NC4* NC3* NO3* ga_8
6006 NC2* NC3* NO3* ga_8
6007 NC3* NO3* NH3* ga_11
6008 [ impropers ]
6009 ; ai aj ak al gromos type
6010 AC4* AO4* AC5* AC3* gi_2
6011 AC3* AC2* AO3* AC4* gi_2
6012 AC2* AO2* AC3* AC1* gi_2
6013 AC1* AN9 AO4* AC2* gi_2
6014 AN9 AC8 AC4 AC1* gi_1
6015 AC4 AN9 AC8 AN7 gi_1
6016 AC8 AN9 AC4 AC5 gi_1
6017 AN9 AC8 AN7 AC5 gi_1
6018 AN9 AC4 AC5 AN7 gi_1
6019 AC8 AN7 AC5 AC4 gi_1
6020 AC4 AN9 AN3 AC5 gi_1
6021 AC5 AC6 AN7 AC4 gi_1
6022 AN3 AC4 AC5 AC6 gi_1
6023 AC4 AC5 AC6 AN1 gi_1
6024 AC5 AC4 AN3 AC2 gi_1
6025 AC5 AC6 AN1 AC2 gi_1
6026 AC4 AN3 AC2 AN1 gi_1
6027 AN3 AC2 AN1 AC6 gi_1
6028 AC6 AC5 AN1 AN6 gi_1
6029 AN6 AH61 AH62 AC6 gi_1
6030 NC4* NO4* NC5* NC3* gi_2
6031 NC3* NC2* NO3* NC4* gi_2
6032 NC2* NO2* NC3* NC1* gi_2
6033 NC1* NN1 NO4* NC2* gi_2
6034 NN1 NC6 NC2 NC1* gi_1
6035 NC2 NN1 NC6 NC5 gi_1
6036 NC6 NN1 NC2 NC3 gi_1
6037 NN1 NC6 NC5 NC4 gi_1
6038 NN1 NC2 NC3 NC4 gi_1
6039 NC6 NC5 NC4 NC3 gi_1
6040 NC2 NC3 NC4 NC5 gi_1
6041 NC3 NC4 NC2 NC7 gi_1
6042 NC7 NO7 NN7 NC3 gi_1
6043 NN7 NH71 NH72 NC7 gi_1
6044 [ dihedrals ]
6045 ; ai aj ak al gromos type
6046 AO5* AP AO1P AH1P gd_11
6047 AO5* AP AO1P AH1P gd_9
6048 AO5* AP O3P NP gd_11
6049 AO5* AP O3P NP gd_9
6050 O3P AP AO5* AC5* gd_11
6051 O3P AP AO5* AC5* gd_9
6052 AP AO5* AC5* AC4* gd_14
6053 AO5* AC5* AC4* AC3* gd_17
6054 AO5* AC5* AC4* AC3* gd_7
6055 AO5* AC5* AC4* AO4* gd_8
6056 AC5* AC4* AC3* AC2* gd_17
6057 AC5* AC4* AC3* AO3* gd_7
6058 AO4* AC4* AC3* AC2* gd_7
6059 AO4* AC4* AC3* AO3* gd_8
6060 AC4* AC3* AC2* AC1* gd_17
6061 AO3* AC3* AC2* AC1* gd_7
6062 AC4* AC3* AC2* AO2* gd_7
6063 AO3* AC3* AC2* AO2* gd_8
6064 AC3* AC2* AC1* AO4* gd_17
6065 AC3* AC2* AC1* AO4* gd_7
6066 AO2* AC2* AC1* AN9 gd_7
6067 AO2* AC2* AC1* AO4* gd_8
6068 AC3* AC4* AO4* AC1* gd_14
6069 AC4* AO4* AC1* AC2* gd_14
6070 AC1* AC2* AO2* AP2* gd_12
6071 AC2* AO2* AP2* AO8* gd_11
6072 AC2* AO2* AP2* AO8* gd_9
6073 AO2* AP2* AO8* AH8* gd_11
6074 AO2* AP2* AO8* AH8* gd_9
6075 AO2* AP2* AO7* AH7* gd_11
6076 AO2* AP2* AO7* AH7* gd_9
6077 AC4* AC3* AO3* AH3* gd_12
6078 AO4* AC1* AN9 AC4 gd_6
6079 AC5 AC6 AN6 AH61 gd_4
6080 AP O3P NP NO5* gd_11
6081 AP O3P NP NO5* gd_9
6082 O3P NP NO5* NC5* gd_11
6083 O3P NP NO5* NC5* gd_9
6084 NO5* NP NO1P NH1P gd_11
6085 NO5* NP NO1P NH1P gd_9
6086 NP NO5* NC5* NC4* gd_14
6087 NO5* NC5* NC4* NC3* gd_17
6088 NO5* NC5* NC4* NC3* gd_7
6089 NO5* NC5* NC4* NO4* gd_8
6090 NC5* NC4* NC3* NC2* gd_17
6091 NC5* NC4* NC3* NO3* gd_7
6092 NO4* NC4* NC3* NC2* gd_7
6093 NO4* NC4* NC3* NO3* gd_8
6094 NC4* NC3* NC2* NC1* gd_17
6095 NO3* NC3* NC2* NC1* gd_7
6096 NC4* NC3* NC2* NO2* gd_7
6097 NO3* NC3* NC2* NO2* gd_8
6098 NC3* NC2* NC1* NO4* gd_17
6099 NC3* NC2* NC1* NO4* gd_7
6100 NO2* NC2* NC1* NN1 gd_7
6101 NO2* NC2* NC1* NO4* gd_8
6102 NC3* NC4* NO4* NC1* gd_14
6103 NC4* NO4* NC1* NC2* gd_14
6104 NC1* NC2* NO2* NH2* gd_12
6105 NC4* NC3* NO3* NH3* gd_12
6106 NO4* NC1* NN1 NC2 gd_6
6107 NC2 NC3 NC7 NN7 gd_1
6108 NC3 NC7 NN7 NH71 gd_4
6110 [ GLCA ]
6111 [ atoms ]
6112 C1 CH1 0.40000 0
6113 O5 OA -0.36000 0
6114 C5 CH1 0.16000 0
6115 C6 CH2 0.15000 1
6116 O6 OA -0.54800 1
6117 H6 H 0.39800 1
6118 C2 CH1 0.15000 2
6119 O2 OA -0.54800 2
6120 H2 H 0.39800 2
6121 C3 CH1 0.15000 3
6122 O3 OA -0.54800 3
6123 H3 H 0.39800 3
6124 C4 CH1 0.160 4
6125 O4 OA -0.360 4
6126 [ bonds ]
6127 C1 O5 gb_19
6128 C1 C2 gb_25
6129 O5 C5 gb_19
6130 C5 C6 gb_25
6131 C5 C4 gb_25
6132 C6 O6 gb_19
6133 O6 H6 gb_1
6134 C2 O2 gb_19
6135 C2 C3 gb_25
6136 O2 H2 gb_1
6137 C3 O3 gb_19
6138 C3 C4 gb_25
6139 O3 H3 gb_1
6140 C4 O4 gb_19
6141 O4 +N gb_19
6142 [ angles ]
6143 ; ai aj ak gromos type
6144 -O C1 O5 ga_8
6145 -O C1 C2 ga_8
6146 O5 C1 C2 ga_8
6147 C1 O5 C5 ga_9
6148 O5 C5 C6 ga_8
6149 O5 C5 C4 ga_8
6150 C6 C5 C4 ga_7
6151 C5 C6 O6 ga_8
6152 C6 O6 H6 ga_11
6153 C1 C2 O2 ga_8
6154 C1 C2 C3 ga_7
6155 O2 C2 C3 ga_8
6156 C2 O2 H2 ga_11
6157 C2 C3 O3 ga_8
6158 C2 C3 C4 ga_7
6159 O3 C3 C4 ga_8
6160 C3 O3 H3 ga_11
6161 C5 C4 C3 ga_7
6162 C5 C4 O4 ga_8
6163 C3 C4 O4 ga_8
6164 C4 O4 +N ga_9
6165 [ impropers ]
6166 ; ai aj ak al gromos type
6167 C1 O5 -O C2 gi_2
6168 C5 O5 C6 C4 gi_2
6169 C2 O2 C3 C1 gi_2
6170 C3 O3 C2 C4 gi_2
6171 C4 C3 O4 C5 gi_2
6172 [ dihedrals ]
6173 ; ai aj ak al gromos type
6174 -C -O C1 C2 gd_14
6175 -O C1 C2 C3 gd_17
6176 -O C1 C2 C3 gd_7
6177 O5 C1 C2 C3 gd_7
6178 O5 C1 C2 O2 gd_8
6179 -O C1 C2 O2 gd_8
6180 C1 C2 O2 H2 gd_12
6181 C1 C2 C3 C4 gd_17
6182 C1 C2 C3 O3 gd_7
6183 O2 C2 C3 C4 gd_7
6184 O2 C2 C3 O3 gd_8
6185 C2 C3 O3 H3 gd_12
6186 C2 C3 C4 C5 gd_17
6187 C2 C3 C4 O4 gd_7
6188 O3 C3 C4 C5 gd_7
6189 O3 C3 C4 O4 gd_8
6190 C2 C1 O5 C5 gd_14
6191 C1 O5 C5 C4 gd_14
6192 C4 C5 C6 O6 gd_17
6193 C4 C5 C6 O6 gd_7
6194 O5 C5 C6 O6 gd_8
6195 C5 C6 O6 H6 gd_12
6196 C6 C5 C4 C3 gd_17
6197 O5 C5 C4 C3 gd_7
6198 C6 C5 C4 O4 gd_7
6199 O5 C5 C4 O4 gd_8
6200 C3 C4 O4 +N gd_14
6202 [ GLCB ]
6203 [ atoms ]
6204 C1 CH1 0.40000 0
6205 O5 OA -0.36000 0
6206 C5 CH1 0.16000 0
6207 C6 CH2 0.15000 1
6208 O6 OA -0.54800 1
6209 H6 H 0.39800 1
6210 C3 CH1 0.15000 2
6211 O3 OA -0.54800 2
6212 H3 H 0.39800 2
6213 C4 CH1 0.15000 3
6214 O4 OA -0.54800 3
6215 H4 H 0.39800 3
6216 C2 CH1 0.160 4
6217 O2 OA -0.360 4
6218 [ bonds ]
6219 C1 O5 gb_19
6220 C1 C2 gb_25
6221 O5 C5 gb_19
6222 C5 C6 gb_25
6223 C5 C4 gb_25
6224 C6 O6 gb_19
6225 O6 H6 gb_1
6226 C3 O3 gb_19
6227 C3 C4 gb_25
6228 C3 C2 gb_25
6229 O3 H3 gb_1
6230 C4 O4 gb_19
6231 O4 H4 gb_1
6232 C2 O2 gb_19
6233 O2 +N gb_19
6234 [ angles ]
6235 ; ai aj ak gromos type
6236 -O C1 O5 ga_8
6237 -O C1 C2 ga_8
6238 O5 C1 C2 ga_8
6239 C1 O5 C5 ga_9
6240 O5 C5 C6 ga_8
6241 O5 C5 C4 ga_8
6242 C6 C5 C4 ga_7
6243 C5 C6 O6 ga_8
6244 C6 O6 H6 ga_11
6245 C4 C3 O3 ga_8
6246 C4 C3 C2 ga_7
6247 O3 C3 C2 ga_8
6248 C3 O3 H3 ga_11
6249 C5 C4 O4 ga_8
6250 C5 C4 C3 ga_7
6251 C3 C4 O4 ga_8
6252 C4 O4 H4 ga_11
6253 C1 C2 C3 ga_7
6254 C1 C2 O2 ga_8
6255 C3 C2 O2 ga_8
6256 C2 O2 +N ga_9
6257 [ impropers ]
6258 ; ai aj ak al gromos type
6259 C1 -O O5 C2 gi_2
6260 C5 O5 C6 C4 gi_2
6261 C3 O3 C2 C4 gi_2
6262 C4 C3 O4 C5 gi_2
6263 C2 O2 C3 C1 gi_2
6264 [ dihedrals ]
6265 ; ai aj ak al gromos type
6266 -C -O C1 C2 gd_14
6267 -O C1 C2 C3 gd_17
6268 -O C1 C2 C3 gd_7
6269 O5 C1 C2 C3 gd_7
6270 O5 C1 C2 O2 gd_8
6271 -O C1 C2 O2 gd_8
6272 C1 C2 C3 C4 gd_17
6273 C1 C2 C3 O3 gd_7
6274 O2 C2 C3 C4 gd_7
6275 O2 C2 C3 O3 gd_8
6276 C2 C3 O3 H3 gd_12
6277 C2 C3 C4 C5 gd_17
6278 C2 C3 C4 O4 gd_7
6279 O3 C3 C4 C5 gd_7
6280 O3 C3 C4 O4 gd_8
6281 C3 C4 O4 H4 gd_12
6282 C2 C1 O5 C5 gd_14
6283 C1 O5 C5 C4 gd_14
6284 C4 C5 C6 O6 gd_17
6285 C4 C5 C6 O6 gd_7
6286 O5 C5 C6 O6 gd_8
6287 C5 C6 O6 H6 gd_12
6288 C6 C5 C4 C3 gd_17
6289 O5 C5 C4 C3 gd_7
6290 C6 C5 C4 O4 gd_7
6291 O5 C5 C4 O4 gd_8
6292 C1 C2 O2 +N gd_14
6294 [ GALB ]
6295 [ atoms ]
6296 C1 CH1 0.40000 0
6297 O5 OA -0.36000 0
6298 C5 CH1 0.16000 0
6299 C6 CH2 0.15000 1
6300 O6 OA -0.54800 1
6301 H6 H 0.39800 1
6302 C2 CH1 0.15000 2
6303 O2 OA -0.54800 2
6304 H2 H 0.39800 2
6305 C4 CH1 0.15000 3
6306 O4 OA -0.54800 3
6307 H4 H 0.39800 3
6308 C3 CH1 0.160 4
6309 O3 OA -0.360 4
6310 [ bonds ]
6311 C1 O5 gb_19
6312 C1 C2 gb_25
6313 O5 C5 gb_19
6314 C5 C6 gb_25
6315 C5 C4 gb_25
6316 C6 O6 gb_19
6317 O6 H6 gb_1
6318 C2 O2 gb_19
6319 C2 C3 gb_25
6320 O2 H2 gb_1
6321 C4 O4 gb_19
6322 C4 C3 gb_25
6323 O4 H4 gb_1
6324 C3 O3 gb_19
6325 O3 +N gb_19
6326 [ angles ]
6327 ; ai aj ak gromos type
6328 -O C1 O5 ga_8
6329 -O C1 C2 ga_8
6330 O5 C1 C2 ga_8
6331 C1 O5 C5 ga_9
6332 O5 C5 C6 ga_8
6333 O5 C5 C4 ga_8
6334 C6 C5 C4 ga_7
6335 C5 C6 O6 ga_8
6336 C6 O6 H6 ga_11
6337 C1 C2 O2 ga_8
6338 C1 C2 C3 ga_7
6339 O2 C2 C3 ga_8
6340 C2 O2 H2 ga_11
6341 C5 C4 O4 ga_8
6342 C5 C4 C3 ga_7
6343 O4 C4 C3 ga_8
6344 C4 O4 H4 ga_11
6345 C2 C3 C4 ga_7
6346 C2 C3 O3 ga_8
6347 C4 C3 O3 ga_8
6348 C3 O3 +N ga_9
6349 [ impropers ]
6350 ; ai aj ak al gromos type
6351 C1 -O O5 C2 gi_2
6352 C5 O5 C6 C4 gi_2
6353 C2 O2 C3 C1 gi_2
6354 C4 O4 C3 C5 gi_2
6355 C3 O3 C2 C4 gi_2
6356 [ dihedrals ]
6357 ; ai aj ak al gromos type
6358 -C -O C1 C2 gd_14
6359 -O C1 C2 C3 gd_17
6360 -O C1 C2 C3 gd_7
6361 O5 C1 C2 C3 gd_7
6362 O5 C1 C2 O2 gd_8
6363 -O C1 C2 O2 gd_8
6364 C1 C2 O2 H2 gd_12
6365 C1 C2 C3 C4 gd_17
6366 C1 C2 C3 O3 gd_7
6367 O2 C2 C3 C4 gd_7
6368 O2 C2 C3 O3 gd_8
6369 C2 C3 C4 C5 gd_17
6370 C2 C3 C4 O4 gd_7
6371 O3 C3 C4 C5 gd_7
6372 O3 C3 C4 O4 gd_8
6373 C3 C4 O4 H4 gd_12
6374 C2 C1 O5 C5 gd_14
6375 C1 O5 C5 C4 gd_14
6376 C4 C5 C6 O6 gd_17
6377 C4 C5 C6 O6 gd_7
6378 O5 C5 C6 O6 gd_8
6379 C5 C6 O6 H6 gd_12
6380 C6 C5 C4 C3 gd_17
6381 O5 C5 C4 C3 gd_7
6382 C6 C5 C4 O4 gd_7
6383 O5 C5 C4 O4 gd_8
6384 C2 C3 O3 +N gd_14
6386 [ HEME ]
6387 [ atoms ]
6388 FE FE 0.40000 0
6389 NA NR -0.10000 0
6390 NB NR -0.10000 0
6391 NC NR -0.10000 0
6392 ND NR -0.10000 0
6393 CHA C -0.10000 1
6394 HHA HC 0.10000 1
6395 C1A C 0.00000 2
6396 C2A C 0.00000 2
6397 C3A C 0.00000 2
6398 C4A C 0.00000 2
6399 CMA CH3 0.00000 3
6400 CAA CH2 0.00000 4
6401 CBA CH2 0.00000 4
6402 CGA C 0.27000 5
6403 O1A OM -0.63500 5
6404 O2A OM -0.63500 5
6405 CHB C -0.10000 6
6406 HHB HC 0.10000 6
6407 C1B C 0.00000 7
6408 C2B C 0.00000 7
6409 C3B C 0.00000 7
6410 C4B C 0.00000 7
6411 CMB CH3 0.00000 8
6412 CAB CR1 0.00000 9
6413 CBB CH2 0.00000 9
6414 CHC C -0.10000 10
6415 HHC HC 0.10000 10
6416 C1C C 0.00000 11
6417 C2C C 0.00000 11
6418 C3C C 0.00000 11
6419 C4C C 0.00000 11
6420 CMC CH3 0.00000 12
6421 CAC CR1 0.00000 13
6422 CBC CH2 0.00000 13
6423 CHD C -0.10000 14
6424 HHD HC 0.10000 14
6425 C1D C 0.00000 15
6426 C2D C 0.00000 15
6427 C3D C 0.00000 15
6428 C4D C 0.00000 15
6429 CMD CH3 0.00000 16
6430 CAD CH2 0.00000 17
6431 CBD CH2 0.00000 17
6432 CGD C 0.27000 18
6433 O1D OM -0.63500 18
6434 O2D OM -0.63500 18
6435 [ bonds ]
6436 FE NA gb_34
6437 FE NB gb_34
6438 FE NC gb_34
6439 FE ND gb_34
6440 NA C1A gb_13
6441 NA C4A gb_13
6442 NB C1B gb_13
6443 NB C4B gb_13
6444 NC C1C gb_13
6445 NC C4C gb_13
6446 ND C1D gb_13
6447 ND C4D gb_13
6448 CHA HHA gb_3
6449 CHA C1A gb_16
6450 CHA C4D gb_16
6451 C1A C2A gb_16
6452 C2A C3A gb_16
6453 C2A CAA gb_26
6454 C3A C4A gb_16
6455 C3A CMA gb_26
6456 C4A CHB gb_16
6457 CAA CBA gb_26
6458 CBA CGA gb_26
6459 CGA O1A gb_5
6460 CGA O2A gb_5
6461 CHB HHB gb_3
6462 CHB C1B gb_16
6463 C1B C2B gb_16
6464 C2B C3B gb_16
6465 C2B CMB gb_26
6466 C3B C4B gb_16
6467 C3B CAB gb_26
6468 C4B CHC gb_16
6469 CAB CBB gb_11
6470 CHC HHC gb_3
6471 CHC C1C gb_16
6472 C1C C2C gb_16
6473 C2C C3C gb_16
6474 C2C CMC gb_26
6475 C3C C4C gb_16
6476 C3C CAC gb_26
6477 C4C CHD gb_16
6478 CAC CBC gb_11
6479 CHD HHD gb_3
6480 CHD C1D gb_16
6481 C1D C2D gb_16
6482 C2D C3D gb_16
6483 C2D CMD gb_26
6484 C3D C4D gb_16
6485 C3D CAD gb_26
6486 CAD CBD gb_26
6487 CBD CGD gb_26
6488 CGD O1D gb_5
6489 CGD O2D gb_5
6490 [ exclusions ]
6491 ; ai aj
6492 FE CHA
6493 FE C2A
6494 FE C3A
6495 FE CHB
6496 FE C2B
6497 FE C3B
6498 FE CHC
6499 FE C2C
6500 FE C3C
6501 FE CHD
6502 FE C2D
6503 FE C3D
6504 NA HHA
6505 NA CMA
6506 NA CAA
6507 NA HHB
6508 NA C1B
6509 NA C4B
6510 NA C1C
6511 NA C4C
6512 NA C1D
6513 NA C4D
6514 NB C1A
6515 NB C4A
6516 NB HHB
6517 NB CMB
6518 NB CAB
6519 NB HHC
6520 NB C1C
6521 NB C4C
6522 NB C1D
6523 NB C4D
6524 NC C1A
6525 NC C4A
6526 NC C1B
6527 NC C4B
6528 NC HHC
6529 NC CMC
6530 NC CAC
6531 NC HHD
6532 NC C1D
6533 NC C4D
6534 ND HHA
6535 ND C1A
6536 ND C4A
6537 ND C1B
6538 ND C4B
6539 ND C1C
6540 ND C4C
6541 ND HHD
6542 ND CMD
6543 ND CAD
6544 CHA C3A
6545 CHA C4A
6546 CHA CAA
6547 CHA C1D
6548 CHA C2D
6549 CHA CAD
6550 HHA C2A
6551 HHA C3D
6552 C1A CMA
6553 C1A CHB
6554 C1A C3D
6555 C2A CHB
6556 C3A HHB
6557 C3A C1B
6558 C4A CAA
6559 C4A C2B
6560 CMA CAA
6561 CMA CHB
6562 CHB C3B
6563 CHB C4B
6564 CHB CMB
6565 HHB C2B
6566 C1B CAB
6567 C1B CHC
6568 C2B CHC
6569 C3B HHC
6570 C3B C1C
6571 C4B CMB
6572 C4B C2C
6573 CMB CAB
6574 CAB CHC
6575 CHC C3C
6576 CHC C4C
6577 CHC CMC
6578 HHC C2C
6579 C1C CAC
6580 C1C CHD
6581 C2C CHD
6582 C3C HHD
6583 C3C C1D
6584 C4C CMC
6585 C4C C2D
6586 CMC CAC
6587 CAC CHD
6588 CHD C3D
6589 CHD C4D
6590 CHD CMD
6591 HHD C2D
6592 C1D CAD
6593 C4D CMD
6594 CMD CAD
6595 [ angles ]
6596 ; ai aj ak gromos type
6597 NA FE NB ga_1
6598 NB FE NC ga_1
6599 NC FE ND ga_1
6600 NA FE ND ga_1
6601 FE NA C1A ga_35
6602 FE NA C4A ga_35
6603 C1A NA C4A ga_5
6604 FE NB C1B ga_35
6605 FE NB C4B ga_35
6606 C1B NB C4B ga_5
6607 FE NC C1C ga_35
6608 FE NC C4C ga_35
6609 C1C NC C4C ga_5
6610 FE ND C1D ga_35
6611 FE ND C4D ga_35
6612 C1D ND C4D ga_5
6613 C1A CHA HHA ga_19
6614 C1A CHA C4D ga_36
6615 HHA CHA C4D ga_19
6616 NA C1A CHA ga_32
6617 NA C1A C2A ga_14
6618 CHA C1A C2A ga_37
6619 C1A C2A C3A ga_6
6620 C1A C2A CAA ga_36
6621 C3A C2A CAA ga_36
6622 C2A C3A C4A ga_6
6623 C2A C3A CMA ga_36
6624 C4A C3A CMA ga_36
6625 NA C4A C3A ga_14
6626 NA C4A CHB ga_32
6627 C3A C4A CHB ga_37
6628 C2A CAA CBA ga_14
6629 CAA CBA CGA ga_14
6630 CBA CGA O1A ga_21
6631 CBA CGA O2A ga_21
6632 O1A CGA O2A ga_37
6633 C4A CHB HHB ga_19
6634 C4A CHB C1B ga_36
6635 HHB CHB C1B ga_19
6636 NB C1B CHB ga_32
6637 NB C1B C2B ga_14
6638 CHB C1B C2B ga_37
6639 C1B C2B C3B ga_6
6640 C1B C2B CMB ga_36
6641 C3B C2B CMB ga_36
6642 C2B C3B C4B ga_6
6643 C2B C3B CAB ga_36
6644 C4B C3B CAB ga_36
6645 NB C4B C3B ga_14
6646 NB C4B CHC ga_32
6647 C3B C4B CHC ga_37
6648 C3B CAB CBB ga_36
6649 C4B CHC HHC ga_19
6650 C4B CHC C1C ga_36
6651 HHC CHC C1C ga_19
6652 NC C1C CHC ga_32
6653 NC C1C C2C ga_14
6654 CHC C1C C2C ga_37
6655 C1C C2C C3C ga_6
6656 C1C C2C CMC ga_36
6657 C3C C2C CMC ga_36
6658 C2C C3C C4C ga_6
6659 C2C C3C CAC ga_36
6660 C4C C3C CAC ga_36
6661 NC C4C C3C ga_14
6662 NC C4C CHD ga_32
6663 C3C C4C CHD ga_37
6664 C3C CAC CBC ga_36
6665 C4C CHD HHD ga_19
6666 C4C CHD C1D ga_36
6667 HHD CHD C1D ga_19
6668 ND C1D CHD ga_32
6669 ND C1D C2D ga_14
6670 CHD C1D C2D ga_37
6671 C1D C2D C3D ga_6
6672 C1D C2D CMD ga_36
6673 C3D C2D CMD ga_36
6674 C2D C3D C4D ga_6
6675 C2D C3D CAD ga_36
6676 C4D C3D CAD ga_36
6677 ND C4D CHA ga_32
6678 ND C4D C3D ga_14
6679 CHA C4D C3D ga_37
6680 C3D CAD CBD ga_14
6681 CAD CBD CGD ga_14
6682 CBD CGD O1D ga_21
6683 CBD CGD O2D ga_21
6684 O1D CGD O2D ga_37
6685 [ impropers ]
6686 ; ai aj ak al gromos type
6687 FE C1A C4A NA gi_3
6688 FE C1B C4B NB gi_3
6689 FE C1C C4C NC gi_3
6690 FE C1D C4D ND gi_3
6691 CHA NA C2A C1A gi_1
6692 CHB NA C3A C4A gi_1
6693 CHB NB C2B C1B gi_1
6694 CHC NB C3B C4B gi_1
6695 CHC NC C2C C1C gi_1
6696 CHD NC C3C C4C gi_1
6697 CHD ND C2D C1D gi_1
6698 CHA ND C3D C4D gi_1
6699 C2A C1A C3A CAA gi_1
6700 C3A C2A C4A CMA gi_1
6701 C2B C1B C3B CMB gi_1
6702 C3B C2B C4B CAB gi_1
6703 C2C C1C C3C CMC gi_1
6704 C3C C2C C4C CAC gi_1
6705 C2D C1D C3D CMD gi_1
6706 C3D C2D C4D CAD gi_1
6707 CBA O1A O2A CGA gi_1
6708 CBD O1D O2D CGD gi_1
6709 CHA C4D C1A HHA gi_1
6710 CHB C4A C1B HHB gi_1
6711 CHC C4B C1C HHC gi_1
6712 CHD C4C C1D HHD gi_1
6713 NA C1A C2A C3A gi_1
6714 C1A C2A C3A C4A gi_1
6715 C2A C3A C4A NA gi_1
6716 C1A NA C4A C3A gi_1
6717 C2A C1A NA C4A gi_1
6718 NB C1B C2B C3B gi_1
6719 C1B C2B C3B C4B gi_1
6720 NB C4B C3B C2B gi_1
6721 C4B NB C1B C2B gi_1
6722 C1B NB C4B C3B gi_1
6723 NC C1C C2C C3C gi_1
6724 C1C C2C C3C C4C gi_1
6725 NC C4C C3C C2C gi_1
6726 C4C NC C1C C2C gi_1
6727 C1C NC C4C C3C gi_1
6728 ND C1D C2D C3D gi_1
6729 C1D C2D C3D C4D gi_1
6730 ND C4D C3D C2D gi_1
6731 C4D ND C1D C2D gi_1
6732 C1D ND C4D C3D gi_1
6733 [ dihedrals ]
6734 ; ai aj ak al gromos type
6735 NA C4A CHB C1B gd_5
6736 C4A CHB C1B NB gd_5
6737 NB C4B CHC C1C gd_5
6738 C4B CHC C1C NC gd_5
6739 NC C4C CHD C1D gd_5
6740 C4C CHD C1D ND gd_5
6741 ND C4D CHA C1A gd_5
6742 C4D CHA C1A NA gd_5
6743 C1A C2A CAA CBA gd_20
6744 C2A CAA CBA CGA gd_17
6745 CAA CBA CGA O1A gd_20
6746 C2B C3B CAB CBB gd_3
6747 C2C C3C CAC CBC gd_3
6748 C2D C3D CAD CBD gd_20
6749 C3D CAD CBD CGD gd_17
6750 CAD CBD CGD O1D gd_20
6751 ND FE NA C1A 0 0 4
6752 NA FE NB C1B 0 0 4
6753 NB FE NC C1C 0 0 4
6754 NC FE ND C1D 0 0 4
6755 [ CYT* ]
6756 [ atoms ]
6757 C4* CH1 0.16000 0
6758 O4* OA -0.36000 0
6759 C1* CH1 0.20000 0
6760 N1 NR -0.20000 1
6761 C6 CR1 0.20000 1
6762 C2 C 0.38000 2
6763 O2 O -0.38000 2
6764 N3 NR -0.36000 3
6765 C4 C 0.36000 3
6766 N4 NT -0.83000 4
6767 H41 H 0.41500 4
6768 H42 H 0.41500 4
6769 C5 CR1 0.00000 5
6770 C2* CH1 0.15000 6
6771 O2* OA -0.54800 6
6772 H2* H 0.39800 6
6773 C3* CH1 0.00000 7
6774 O3* OA -0.36000 8
6775 SI1 P 0.54000 8
6776 OSI OA -0.36000 8
6777 SI2 P 0.54000 8
6778 O5* OA -0.36000 8
6779 C5* CH2 0.00000 9
6780 C11 CH1 0.00000 10
6781 C111 CH3 0.00000 10
6782 C112 CH3 0.00000 10
6783 C12 CH1 0.00000 11
6784 C121 CH3 0.00000 11
6785 C122 CH3 0.00000 11
6786 C21 CH1 0.00000 12
6787 C211 CH3 0.00000 12
6788 C212 CH3 0.00000 12
6789 C22 CH1 0.00000 13
6790 C221 CH3 0.00000 13
6791 C222 CH3 0.00000 13
6792 [ bonds ]
6793 C4* O4* gb_19
6794 C4* C3* gb_25
6795 C4* C5* gb_25
6796 O4* C1* gb_19
6797 C1* N1 gb_22
6798 C1* C2* gb_25
6799 N1 C6 gb_16
6800 N1 C2 gb_16
6801 C6 C5 gb_15
6802 C2 O2 gb_4
6803 C2 N3 gb_11
6804 N3 C4 gb_11
6805 C4 N4 gb_8
6806 C4 C5 gb_15
6807 N4 H41 gb_2
6808 N4 H42 gb_2
6809 C2* O2* gb_19
6810 C2* C3* gb_25
6811 O2* H2* gb_1
6812 C3* O3* gb_19
6813 O3* SI1 gb_28
6814 SI1 OSI gb_28
6815 SI1 C11 gb_31
6816 SI1 C12 gb_31
6817 OSI SI2 gb_28
6818 SI2 O5* gb_28
6819 SI2 C21 gb_31
6820 SI2 C22 gb_31
6821 O5* C5* gb_19
6822 C11 C111 gb_26
6823 C11 C112 gb_26
6824 C12 C121 gb_26
6825 C12 C122 gb_26
6826 C21 C211 gb_26
6827 C21 C212 gb_26
6828 C22 C221 gb_26
6829 C22 C222 gb_26
6830 [ exclusions ]
6831 ; ai aj
6832 C1* O2
6833 C1* N3
6834 C1* C5
6835 N1 C4
6836 C6 O2
6837 C6 N3
6838 C6 N4
6839 C2 N4
6840 C2 C5
6841 O2 C4
6842 [ angles ]
6843 ; ai aj ak gromos type
6844 O4* C4* C3* ga_8
6845 O4* C4* C5* ga_8
6846 C3* C4* C5* ga_7
6847 C4* O4* C1* ga_9
6848 O4* C1* N1 ga_8
6849 O4* C1* C2* ga_8
6850 N1 C1* C2* ga_7
6851 C1* N1 C6 ga_26
6852 C1* N1 C2 ga_26
6853 C6 N1 C2 ga_26
6854 N1 C6 C5 ga_26
6855 N1 C2 O2 ga_26
6856 N1 C2 N3 ga_26
6857 O2 C2 N3 ga_26
6858 C2 N3 C4 ga_26
6859 N3 C4 N4 ga_26
6860 N3 C4 C5 ga_26
6861 N4 C4 C5 ga_26
6862 C4 N4 H41 ga_22
6863 C4 N4 H42 ga_22
6864 H41 N4 H42 ga_23
6865 C6 C5 C4 ga_26
6866 C1* C2* O2* ga_8
6867 C1* C2* C3* ga_7
6868 O2* C2* C3* ga_8
6869 C2* O2* H2* ga_11
6870 C4* C3* C2* ga_7
6871 C4* C3* O3* ga_8
6872 C2* C3* O3* ga_8
6873 C3* O3* SI1 ga_25
6874 O3* SI1 OSI ga_11
6875 O3* SI1 C11 ga_11
6876 O3* SI1 C12 ga_11
6877 OSI SI1 C11 ga_11
6878 OSI SI1 C12 ga_11
6879 C11 SI1 C12 ga_11
6880 SI1 OSI SI2 ga_39
6881 OSI SI2 O5* ga_11
6882 OSI SI2 C21 ga_11
6883 OSI SI2 C22 ga_11
6884 O5* SI2 C21 ga_11
6885 O5* SI2 C22 ga_11
6886 C21 SI2 C22 ga_11
6887 SI2 O5* C5* ga_25
6888 C4* C5* O5* ga_8
6889 SI1 C11 C111 ga_12
6890 SI1 C11 C112 ga_12
6891 C111 C11 C112 ga_14
6892 SI1 C12 C121 ga_12
6893 SI1 C12 C122 ga_12
6894 C121 C12 C122 ga_14
6895 SI2 C21 C211 ga_12
6896 SI2 C21 C212 ga_12
6897 C211 C21 C212 ga_14
6898 SI2 C22 C221 ga_12
6899 SI2 C22 C222 ga_12
6900 C221 C22 C222 ga_14
6901 [ impropers ]
6902 ; ai aj ak al gromos type
6903 C4* O4* C5* C3* gi_2
6904 C3* C2* O3* C4* gi_2
6905 C2* O2* C3* C1* gi_2
6906 C1* N1 O4* C2* gi_2
6907 N1 C6 C2 C1* gi_1
6908 C2 N1 C6 C5 gi_1
6909 C6 N1 C2 N3 gi_1
6910 N1 C6 C5 C4 gi_1
6911 N1 C2 N3 C4 gi_1
6912 C6 C5 C4 N3 gi_1
6913 C2 N3 C4 C5 gi_1
6914 C2 N3 N1 O2 gi_1
6915 C4 C5 N3 N4 gi_1
6916 N4 H41 H42 C4 gi_1
6917 C11 C112 C111 SI1 gi_2
6918 C12 C122 C121 SI1 gi_2
6919 C21 C212 C211 SI2 gi_2
6920 C22 C222 C221 SI2 gi_2
6921 [ dihedrals ]
6922 ; ai aj ak al gromos type
6923 O5* C5* C4* C3* gd_17
6924 O5* C5* C4* C3* gd_7
6925 O5* C5* C4* O4* gd_8
6926 C5* C4* C3* C2* gd_17
6927 C5* C4* C3* O3* gd_7
6928 O4* C4* C3* C2* gd_7
6929 O4* C4* C3* O3* gd_8
6930 C4* C3* C2* C1* gd_17
6931 O3* C3* C2* C1* gd_7
6932 C4* C3* C2* O2* gd_7
6933 O3* C3* C2* O2* gd_8
6934 C3* C2* C1* O4* gd_17
6935 C3* C2* C1* O4* gd_7
6936 O2* C2* C1* N1 gd_7
6937 O2* C2* C1* O4* gd_8
6938 C3* C4* O4* C1* gd_14
6939 C4* O4* C1* C2* gd_14
6940 O4* C1* N1 C2 gd_6
6941 N3 C4 N4 H41 gd_4
6942 C1* C2* O2* H2* gd_12
6943 C4* C3* O3* SI1 gd_14
6944 C3* O3* SI1 OSI gd_14
6945 O3* SI1 OSI SI2 gd_14
6946 SI1 OSI SI2 O5* gd_14
6947 OSI SI2 O5* C5* gd_14
6948 SI2 O5* C5* C4* gd_14
6949 O3* SI1 C11 C111 gd_17
6950 O3* SI1 C12 C121 gd_17
6951 O5* SI2 C21 C211 gd_17
6952 O5* SI2 C22 C221 gd_17
6954 [ MTXH ]
6955 [ atoms ]
6956 N1 NR -0.28000 0
6957 HA1 H 0.28000 0
6958 C2 C 0.00000 0
6959 NA2 NT -0.83000 1
6960 HA21 H 0.41500 1
6961 HA22 H 0.41500 1
6962 N3 NR -0.36000 2
6963 C4 C 0.36000 2
6964 NA4 NT -0.83000 3
6965 HA41 H 0.41500 3
6966 HA42 H 0.41500 3
6967 C4A C 0.00000 4
6968 N5 NR -0.36000 4
6969 C6 C 0.36000 4
6970 C7 CR1 0.36000 5
6971 N8 NR -0.36000 5
6972 C8A C 0.00000 5
6973 C9 CH2 0.00000 6
6974 N10 NE 0.00000 6
6975 CM10 CH3 0.00000 6
6976 C14 C 0.00000 7
6977 C13 CR1 0.00000 7
6978 C15 CR1 0.00000 7
6979 C12 CR1 0.00000 8
6980 C16 CR1 0.00000 8
6981 C11 C 0.00000 8
6982 C C 0.38000 9
6983 O O -0.38000 9
6984 N N -0.28000 10
6985 H H 0.28000 10
6986 CA CH1 0.00000 11
6987 CB CH2 0.00000 11
6988 CG CH2 0.00000 11
6989 CD C 0.27000 12
6990 OE1 OM -0.63500 12
6991 OE2 OM -0.63500 12
6992 CT C 0.27000 13
6993 O1 OM -0.63500 13
6994 O2 OM -0.63500 13
6995 [ bonds ]
6996 N1 HA1 gb_2
6997 N1 C2 gb_16
6998 N1 C8A gb_16
6999 C2 NA2 gb_8
7000 C2 N3 gb_11
7001 NA2 HA21 gb_2
7002 NA2 HA22 gb_2
7003 N3 C4 gb_11
7004 C4 NA4 gb_8
7005 C4 C4A gb_15
7006 NA4 HA41 gb_2
7007 NA4 HA42 gb_2
7008 C4A N5 gb_11
7009 C4A C8A gb_15
7010 N5 C6 gb_11
7011 C6 C7 gb_15
7012 C6 C9 gb_26
7013 C7 N8 gb_6
7014 N8 C8A gb_11
7015 C9 N10 gb_20
7016 N10 CM10 gb_20
7017 N10 C14 gb_10
7018 C14 C13 gb_15
7019 C14 C15 gb_15
7020 C13 C12 gb_15
7021 C15 C16 gb_15
7022 C12 C11 gb_15
7023 C16 C11 gb_15
7024 C11 C gb_26
7025 C O gb_4
7026 C N gb_9
7027 N H gb_2
7028 N CA gb_20
7029 CA CB gb_26
7030 CA CT gb_26
7031 CB CG gb_26
7032 CG CD gb_26
7033 CD OE1 gb_5
7034 CD OE2 gb_5
7035 CT O1 gb_5
7036 CT O2 gb_5
7037 [ exclusions ]
7038 ; ai aj
7039 N1 C4
7040 N1 N5
7041 N1 C7
7042 HA1 NA2
7043 HA1 N3
7044 HA1 C4A
7045 HA1 N8
7046 C2 NA4
7047 C2 C4A
7048 C2 N8
7049 NA2 C4
7050 NA2 C8A
7051 N3 N5
7052 N3 C8A
7053 C4 C6
7054 C4 N8
7055 NA4 N5
7056 NA4 C8A
7057 C4A C7
7058 C4A C9
7059 N5 N8
7060 C6 C8A
7061 N8 C9
7062 N10 C12
7063 N10 C16
7064 C14 C11
7065 C13 C16
7066 C13 C
7067 C15 C12
7068 C15 C
7069 [ angles ]
7070 ; ai aj ak gromos type
7071 HA1 N1 C2 ga_24
7072 HA1 N1 C8A ga_24
7073 C2 N1 C8A ga_26
7074 N1 C2 NA2 ga_26
7075 N1 C2 N3 ga_26
7076 NA2 C2 N3 ga_26
7077 C2 NA2 HA21 ga_22
7078 C2 NA2 HA22 ga_22
7079 HA21 NA2 HA22 ga_23
7080 C2 N3 C4 ga_26
7081 N3 C4 NA4 ga_26
7082 N3 C4 C4A ga_26
7083 NA4 C4 C4A ga_26
7084 C4 NA4 HA41 ga_22
7085 C4 NA4 HA42 ga_22
7086 HA41 NA4 HA42 ga_23
7087 C4 C4A N5 ga_26
7088 C4 C4A C8A ga_26
7089 N5 C4A C8A ga_26
7090 C4A N5 C6 ga_26
7091 N5 C6 C7 ga_26
7092 N5 C6 C9 ga_26
7093 C7 C6 C9 ga_26
7094 C6 C7 N8 ga_26
7095 C7 N8 C8A ga_26
7096 N1 C8A C4A ga_26
7097 N1 C8A N8 ga_26
7098 C4A C8A N8 ga_26
7099 C6 C9 N10 ga_14
7100 C9 N10 CM10 ga_19
7101 C9 N10 C14 ga_32
7102 CM10 N10 C14 ga_22
7103 N10 C14 C13 ga_26
7104 N10 C14 C15 ga_26
7105 C13 C14 C15 ga_26
7106 C14 C13 C12 ga_26
7107 C14 C15 C16 ga_26
7108 C13 C12 C11 ga_26
7109 C15 C16 C11 ga_26
7110 C12 C11 C16 ga_26
7111 C12 C11 C ga_26
7112 C16 C11 C ga_26
7113 C11 C O ga_29
7114 C11 C N ga_18
7115 O C N ga_32
7116 C N H ga_31
7117 C N CA ga_30
7118 H N CA ga_17
7119 N CA CB ga_12
7120 N CA CT ga_12
7121 CB CA CT ga_12
7122 CA CB CG ga_14
7123 CB CG CD ga_14
7124 CG CD OE1 ga_21
7125 CG CD OE2 ga_21
7126 OE1 CD OE2 ga_37
7127 CA CT O1 ga_21
7128 CA CT O2 ga_21
7129 O1 CT O2 ga_37
7130 [ impropers ]
7131 ; ai aj ak al gromos type
7132 N1 C2 C8A HA1 gi_1
7133 C2 N1 N3 NA2 gi_1
7134 NA2 HA21 HA22 C2 gi_1
7135 C4 N3 C4A NA4 gi_1
7136 NA4 HA41 HA42 C4 gi_1
7137 N1 C2 N3 C4 gi_1
7138 C2 N3 C4 C4A gi_1
7139 N3 C4 C4A C8A gi_1
7140 C4 C4A C8A N1 gi_1
7141 C4A C8A N1 C2 gi_1
7142 C8A N1 C2 N3 gi_1
7143 C4A C4 N5 C8A gi_1
7144 C8A N1 N8 C4A gi_1
7145 C4A N5 C6 C7 gi_1
7146 N5 C6 C7 N8 gi_1
7147 C6 C7 N8 C8A gi_1
7148 C7 N8 C8A C4A gi_1
7149 N8 C8A C4A N5 gi_1
7150 C8A C4A N5 C6 gi_1
7151 C6 N5 C7 C9 gi_1
7152 N10 C9 C14 CM10 gi_1
7153 C14 C13 C15 N10 gi_1
7154 C14 C13 C12 C11 gi_1
7155 C14 C15 C16 C11 gi_1
7156 C13 C14 C15 C16 gi_1
7157 C15 C14 C13 C12 gi_1
7158 C13 C12 C11 C16 gi_1
7159 C15 C16 C11 C12 gi_1
7160 C11 C12 C16 C gi_1
7161 C C11 N O gi_1
7162 N C CA H gi_1
7163 CA N CT CB gi_2
7164 CD OE1 OE2 CG gi_1
7165 CT CA O2 O1 gi_1
7166 [ dihedrals ]
7167 ; ai aj ak al gromos type
7168 N1 C2 NA2 HA21 gd_4
7169 C4A C4 NA4 HA41 gd_4
7170 N5 C6 C9 N10 gd_20
7171 C6 C9 N10 C14 gd_19
7172 C9 N10 C14 C13 gd_4
7173 C12 C11 C N gd_1
7174 C11 C N CA gd_4
7175 C N CA CT gd_19
7176 N CA CT O1 gd_20
7177 N CA CB CG gd_17
7178 CA CB CG CD gd_17
7179 CB CG CD OE1 gd_20
7181 [ FOL ]
7182 [ atoms ]
7183 N1 NR -0.36000 0
7184 C2 C 0.36000 0
7185 NA2 NT -0.83000 1
7186 HA21 H 0.41500 1
7187 HA22 H 0.41500 1
7188 N3 NR -0.28000 2
7189 HA3 H 0.28000 2
7190 C4 C 0.38000 3
7191 OA4 O -0.38000 3
7192 C4A C 0.00000 4
7193 N5 NR -0.36000 4
7194 C6 C 0.36000 4
7195 C7 CR1 0.36000 5
7196 N8 NR -0.36000 5
7197 C8A C 0.00000 5
7198 C9 CH2 0.00000 6
7199 N10 NE -0.28000 6
7200 H10 H 0.28000 6
7201 C14 C 0.00000 7
7202 C13 CR1 0.00000 7
7203 C15 CR1 0.00000 7
7204 C12 CR1 0.00000 8
7205 C16 CR1 0.00000 8
7206 C11 C 0.00000 8
7207 C C 0.38000 9
7208 O O -0.38000 9
7209 N N -0.28000 10
7210 H H 0.28000 10
7211 CA CH1 0.00000 11
7212 CB CH2 0.00000 11
7213 CG CH2 0.00000 11
7214 CD C 0.27000 12
7215 OE1 OM -0.63500 12
7216 OE2 OM -0.63500 12
7217 CT C 0.27000 13
7218 O1 OM -0.63500 13
7219 O2 OM -0.63500 13
7220 [ bonds ]
7221 N1 C2 gb_11
7222 N1 C8A gb_11
7223 C2 NA2 gb_8
7224 C2 N3 gb_16
7225 NA2 HA21 gb_2
7226 NA2 HA22 gb_2
7227 N3 HA3 gb_2
7228 N3 C4 gb_16
7229 C4 OA4 gb_4
7230 C4 C4A gb_15
7231 C4A N5 gb_11
7232 C4A C8A gb_15
7233 N5 C6 gb_11
7234 C6 C7 gb_15
7235 C6 C9 gb_26
7236 C7 N8 gb_6
7237 N8 C8A gb_11
7238 C9 N10 gb_20
7239 N10 H10 gb_2
7240 N10 C14 gb_10
7241 C14 C13 gb_15
7242 C14 C15 gb_15
7243 C13 C12 gb_15
7244 C15 C16 gb_15
7245 C12 C11 gb_15
7246 C16 C11 gb_15
7247 C11 C gb_26
7248 C O gb_4
7249 C N gb_9
7250 N H gb_2
7251 N CA gb_20
7252 CA CB gb_26
7253 CA CT gb_26
7254 CB CG gb_26
7255 CG CD gb_26
7256 CD OE1 gb_5
7257 CD OE2 gb_5
7258 CT O1 gb_5
7259 CT O2 gb_5
7260 [ exclusions ]
7261 ; ai aj
7262 N1 HA3
7263 N1 C4
7264 N1 N5
7265 N1 C7
7266 C2 OA4
7267 C2 C4A
7268 C2 N8
7269 NA2 HA3
7270 NA2 C4
7271 NA2 C8A
7272 N3 N5
7273 N3 C8A
7274 HA3 OA4
7275 HA3 C4A
7276 C4 C6
7277 C4 N8
7278 OA4 N5
7279 OA4 C8A
7280 C4A C7
7281 C4A C9
7282 N5 N8
7283 C6 C8A
7284 N8 C9
7285 N10 C12
7286 N10 C16
7287 C14 C11
7288 C13 C16
7289 C13 C
7290 C15 C12
7291 C15 C
7292 [ angles ]
7293 ; ai aj ak gromos type
7294 C2 N1 C8A ga_26
7295 N1 C2 NA2 ga_26
7296 N1 C2 N3 ga_26
7297 NA2 C2 N3 ga_26
7298 C2 NA2 HA21 ga_22
7299 C2 NA2 HA22 ga_22
7300 HA21 NA2 HA22 ga_23
7301 C2 N3 HA3 ga_24
7302 C2 N3 C4 ga_26
7303 HA3 N3 C4 ga_24
7304 N3 C4 OA4 ga_26
7305 N3 C4 C4A ga_26
7306 OA4 C4 C4A ga_26
7307 C4 C4A N5 ga_26
7308 C4 C4A C8A ga_26
7309 N5 C4A C8A ga_26
7310 C4A N5 C6 ga_26
7311 N5 C6 C7 ga_26
7312 N5 C6 C9 ga_26
7313 C7 C6 C9 ga_26
7314 C6 C7 N8 ga_26
7315 C7 N8 C8A ga_26
7316 N1 C8A C4A ga_26
7317 N1 C8A N8 ga_26
7318 C4A C8A N8 ga_26
7319 C6 C9 N10 ga_14
7320 C9 N10 H10 ga_19
7321 C9 N10 C14 ga_32
7322 H10 N10 C14 ga_22
7323 N10 C14 C13 ga_26
7324 N10 C14 C15 ga_26
7325 C13 C14 C15 ga_26
7326 C14 C13 C12 ga_26
7327 C14 C15 C16 ga_26
7328 C13 C12 C11 ga_26
7329 C15 C16 C11 ga_26
7330 C12 C11 C16 ga_26
7331 C12 C11 C ga_26
7332 C16 C11 C ga_26
7333 C11 C O ga_29
7334 C11 C N ga_18
7335 O C N ga_32
7336 C N H ga_31
7337 C N CA ga_30
7338 H N CA ga_17
7339 N CA CB ga_12
7340 N CA CT ga_12
7341 CB CA CT ga_12
7342 CA CB CG ga_14
7343 CB CG CD ga_14
7344 CG CD OE1 ga_21
7345 CG CD OE2 ga_21
7346 OE1 CD OE2 ga_37
7347 CA CT O1 ga_21
7348 CA CT O2 ga_21
7349 O1 CT O2 ga_37
7350 [ impropers ]
7351 ; ai aj ak al gromos type
7352 C2 N1 N3 NA2 gi_1
7353 NA2 HA21 HA22 C2 gi_1
7354 N3 C2 C4 HA3 gi_1
7355 C4 N3 C4A OA4 gi_1
7356 N1 C2 N3 C4 gi_1
7357 C2 N3 C4 C4A gi_1
7358 N3 C4 C4A C8A gi_1
7359 C4 C4A C8A N1 gi_1
7360 C4A C8A N1 C2 gi_1
7361 C8A N1 C2 N3 gi_1
7362 C4A C4 N5 C8A gi_1
7363 C8A N1 N8 C4A gi_1
7364 C4A N5 C6 C7 gi_1
7365 N5 C6 C7 N8 gi_1
7366 C6 C7 N8 C8A gi_1
7367 C7 N8 C8A C4A gi_1
7368 N8 C8A C4A N5 gi_1
7369 C8A C4A N5 C6 gi_1
7370 C6 N5 C7 C9 gi_1
7371 N10 C9 C14 H10 gi_1
7372 C14 C13 C15 N10 gi_1
7373 C14 C13 C12 C11 gi_1
7374 C14 C15 C16 C11 gi_1
7375 C13 C14 C15 C16 gi_1
7376 C15 C14 C13 C12 gi_1
7377 C13 C12 C11 C16 gi_1
7378 C15 C16 C11 C12 gi_1
7379 C11 C12 C16 C gi_1
7380 C C11 N O gi_1
7381 N C CA H gi_1
7382 CA N CT CB gi_2
7383 CD OE1 OE2 CG gi_1
7384 CT CA O2 O1 gi_1
7385 [ dihedrals ]
7386 ; ai aj ak al gromos type
7387 N1 C2 NA2 HA21 gd_4
7388 N5 C6 C9 N10 gd_20
7389 C6 C9 N10 C14 gd_19
7390 C9 N10 C14 C13 gd_4
7391 C12 C11 C N gd_1
7392 C11 C N CA gd_4
7393 C N CA CT gd_19
7394 N CA CT O1 gd_20
7395 N CA CB CG gd_17
7396 CA CB CG CD gd_17
7397 CB CG CD OE1 gd_20
7399 [ DHF ]
7400 [ atoms ]
7401 N1 NR -0.36000 0
7402 C2 C 0.36000 0
7403 NA2 NT -0.83000 1
7404 HA21 H 0.41500 1
7405 HA22 H 0.41500 1
7406 N3 NR -0.28000 2
7407 HA3 H 0.28000 2
7408 C4 C 0.38000 3
7409 OA4 O -0.38000 3
7410 C4A C 0.00000 4
7411 N5 NR -0.36000 4
7412 C6 C 0.36000 4
7413 C7 CH2 0.00000 5
7414 N8 NR -0.28000 5
7415 HA8 H 0.28000 5
7416 C8A C 0.00000 5
7417 C9 CH2 0.00000 6
7418 N10 NE -0.28000 6
7419 H10 H 0.28000 6
7420 C14 C 0.00000 7
7421 C13 CR1 0.00000 7
7422 C15 CR1 0.00000 7
7423 C12 CR1 0.00000 8
7424 C16 CR1 0.00000 8
7425 C11 C 0.00000 8
7426 C C 0.38000 9
7427 O O -0.38000 9
7428 N N -0.28000 10
7429 H H 0.28000 10
7430 CA CH1 0.00000 11
7431 CB CH2 0.00000 11
7432 CG CH2 0.00000 11
7433 CD C 0.27000 12
7434 OE1 OM -0.63500 12
7435 OE2 OM -0.63500 12
7436 CT C 0.27000 13
7437 O1 OM -0.63500 13
7438 O2 OM -0.63500 13
7439 [ bonds ]
7440 N1 C2 gb_11
7441 N1 C8A gb_11
7442 C2 NA2 gb_8
7443 C2 N3 gb_16
7444 NA2 HA21 gb_2
7445 NA2 HA22 gb_2
7446 N3 HA3 gb_2
7447 N3 C4 gb_16
7448 C4 OA4 gb_4
7449 C4 C4A gb_15
7450 C4A N5 gb_11
7451 C4A C8A gb_15
7452 N5 C6 gb_11
7453 C6 C7 gb_14
7454 C6 C9 gb_26
7455 C7 N8 gb_16
7456 N8 HA8 gb_2
7457 N8 C8A gb_16
7458 C9 N10 gb_20
7459 N10 H10 gb_2
7460 N10 C14 gb_10
7461 C14 C13 gb_15
7462 C14 C15 gb_15
7463 C13 C12 gb_15
7464 C15 C16 gb_15
7465 C12 C11 gb_15
7466 C16 C11 gb_15
7467 C11 C gb_26
7468 C O gb_4
7469 C N gb_9
7470 N H gb_2
7471 N CA gb_20
7472 CA CB gb_26
7473 CA CT gb_26
7474 CB CG gb_26
7475 CG CD gb_26
7476 CD OE1 gb_5
7477 CD OE2 gb_5
7478 CT O1 gb_5
7479 CT O2 gb_5
7480 [ exclusions ]
7481 ; ai aj
7482 N1 HA3
7483 N1 C4
7484 N1 N5
7485 N1 C7
7486 N1 HA8
7487 C2 OA4
7488 C2 C4A
7489 C2 N8
7490 NA2 HA3
7491 NA2 C4
7492 NA2 C8A
7493 N3 N5
7494 N3 C8A
7495 HA3 OA4
7496 HA3 C4A
7497 C4 C6
7498 C4 N8
7499 OA4 N5
7500 OA4 C8A
7501 C4A C7
7502 C4A HA8
7503 C4A C9
7504 N5 N8
7505 C6 HA8
7506 C6 C8A
7507 N8 C9
7508 N10 C12
7509 N10 C16
7510 C14 C11
7511 C13 C16
7512 C13 C
7513 C15 C12
7514 C15 C
7515 [ angles ]
7516 ; ai aj ak gromos type
7517 C2 N1 C8A ga_26
7518 N1 C2 NA2 ga_26
7519 N1 C2 N3 ga_26
7520 NA2 C2 N3 ga_26
7521 C2 NA2 HA21 ga_22
7522 C2 NA2 HA22 ga_22
7523 HA21 NA2 HA22 ga_23
7524 C2 N3 HA3 ga_24
7525 C2 N3 C4 ga_26
7526 HA3 N3 C4 ga_24
7527 N3 C4 OA4 ga_26
7528 N3 C4 C4A ga_26
7529 OA4 C4 C4A ga_26
7530 C4 C4A N5 ga_26
7531 C4 C4A C8A ga_26
7532 N5 C4A C8A ga_26
7533 C4A N5 C6 ga_26
7534 N5 C6 C7 ga_26
7535 N5 C6 C9 ga_26
7536 C7 C6 C9 ga_26
7537 C6 C7 N8 ga_26
7538 C7 N8 HA8 ga_24
7539 C7 N8 C8A ga_26
7540 HA8 N8 C8A ga_24
7541 N1 C8A C4A ga_26
7542 N1 C8A N8 ga_26
7543 C4A C8A N8 ga_26
7544 C6 C9 N10 ga_14
7545 C9 N10 H10 ga_19
7546 C9 N10 C14 ga_32
7547 H10 N10 C14 ga_22
7548 N10 C14 C13 ga_26
7549 N10 C14 C15 ga_26
7550 C13 C14 C15 ga_26
7551 C14 C13 C12 ga_26
7552 C14 C15 C16 ga_26
7553 C13 C12 C11 ga_26
7554 C15 C16 C11 ga_26
7555 C12 C11 C16 ga_26
7556 C12 C11 C ga_26
7557 C16 C11 C ga_26
7558 C11 C O ga_29
7559 C11 C N ga_18
7560 O C N ga_32
7561 C N H ga_31
7562 C N CA ga_30
7563 H N CA ga_17
7564 N CA CB ga_12
7565 N CA CT ga_12
7566 CB CA CT ga_12
7567 CA CB CG ga_14
7568 CB CG CD ga_14
7569 CG CD OE1 ga_21
7570 CG CD OE2 ga_21
7571 OE1 CD OE2 ga_37
7572 CA CT O1 ga_21
7573 CA CT O2 ga_21
7574 O1 CT O2 ga_37
7575 [ impropers ]
7576 ; ai aj ak al gromos type
7577 C2 N1 N3 NA2 gi_1
7578 NA2 HA21 HA22 C2 gi_1
7579 N3 C2 C4 HA3 gi_1
7580 C4 N3 C4A OA4 gi_1
7581 N1 C2 N3 C4 gi_1
7582 C2 N3 C4 C4A gi_1
7583 N3 C4 C4A C8A gi_1
7584 C4 C4A C8A N1 gi_1
7585 C4A C8A N1 C2 gi_1
7586 C8A N1 C2 N3 gi_1
7587 C4A C4 N5 C8A gi_1
7588 C8A N1 N8 C4A gi_1
7589 C4A N5 C6 C7 gi_1
7590 N5 C6 C7 N8 gi_1
7591 C6 C7 N8 C8A gi_1
7592 C7 N8 C8A C4A gi_1
7593 N8 C8A C4A N5 gi_1
7594 C8A C4A N5 C6 gi_1
7595 N8 C7 C8A HA8 gi_1
7596 C6 N5 C7 C9 gi_1
7597 N10 C9 C14 H10 gi_1
7598 C14 C13 C15 N10 gi_1
7599 C14 C13 C12 C11 gi_1
7600 C14 C15 C16 C11 gi_1
7601 C13 C14 C15 C16 gi_1
7602 C15 C14 C13 C12 gi_1
7603 C13 C12 C11 C16 gi_1
7604 C15 C16 C11 C12 gi_1
7605 C11 C12 C16 C gi_1
7606 C C11 N O gi_1
7607 N C CA H gi_1
7608 CA N CT CB gi_2
7609 CD OE1 OE2 CG gi_1
7610 CT CA O2 O1 gi_1
7611 [ dihedrals ]
7612 ; ai aj ak al gromos type
7613 N1 C2 NA2 HA21 gd_4
7614 N5 C6 C9 N10 gd_20
7615 C6 C9 N10 C14 gd_19
7616 C9 N10 C14 C13 gd_4
7617 C12 C11 C N gd_1
7618 C11 C N CA gd_4
7619 C N CA CT gd_19
7620 N CA CT O1 gd_20
7621 N CA CB CG gd_17
7622 CA CB CG CD gd_17
7623 CB CG CD OE1 gd_20
7625 [ THF ]
7626 [ atoms ]
7627 N1 NR -0.36000 0
7628 C2 C 0.36000 0
7629 NA2 NT -0.83000 1
7630 HA21 H 0.41500 1
7631 HA22 H 0.41500 1
7632 N3 NR -0.28000 2
7633 HA3 H 0.28000 2
7634 C4 C 0.38000 3
7635 OA4 O -0.38000 3
7636 C4A C 0.00000 4
7637 N5 NR -0.28000 4
7638 HA5 H 0.28000 4
7639 C6 CH1 0.00000 4
7640 C7 CH2 0.00000 5
7641 N8 NR -0.28000 5
7642 HA8 H 0.28000 5
7643 C8A C 0.00000 5
7644 C9 CH2 0.00000 6
7645 N10 NE -0.28000 6
7646 H10 H 0.28000 6
7647 C14 C 0.00000 7
7648 C13 CR1 0.00000 7
7649 C15 CR1 0.00000 7
7650 C12 CR1 0.00000 8
7651 C16 CR1 0.00000 8
7652 C11 C 0.00000 8
7653 C C 0.38000 9
7654 O O -0.38000 9
7655 N N -0.28000 10
7656 H H 0.28000 10
7657 CA CH1 0.00000 11
7658 CB CH2 0.00000 11
7659 CG CH2 0.00000 11
7660 CD C 0.27000 12
7661 OE1 OM -0.63500 12
7662 OE2 OM -0.63500 12
7663 CT C 0.27000 13
7664 O1 OM -0.63500 13
7665 O2 OM -0.63500 13
7666 [ bonds ]
7667 N1 C2 gb_11
7668 N1 C8A gb_11
7669 C2 NA2 gb_8
7670 C2 N3 gb_16
7671 NA2 HA21 gb_2
7672 NA2 HA22 gb_2
7673 N3 HA3 gb_2
7674 N3 C4 gb_16
7675 C4 OA4 gb_4
7676 C4 C4A gb_15
7677 C4A N5 gb_16
7678 C4A C8A gb_15
7679 N5 HA5 gb_2
7680 N5 C6 gb_22
7681 C6 C7 gb_25
7682 C6 C9 gb_26
7683 C7 N8 gb_22
7684 N8 HA8 gb_2
7685 N8 C8A gb_16
7686 C9 N10 gb_20
7687 N10 H10 gb_2
7688 N10 C14 gb_10
7689 C14 C13 gb_15
7690 C14 C15 gb_15
7691 C13 C12 gb_15
7692 C15 C16 gb_15
7693 C12 C11 gb_15
7694 C16 C11 gb_15
7695 C11 C gb_26
7696 C O gb_4
7697 C N gb_9
7698 N H gb_2
7699 N CA gb_20
7700 CA CB gb_26
7701 CA CT gb_26
7702 CB CG gb_26
7703 CG CD gb_26
7704 CD OE1 gb_5
7705 CD OE2 gb_5
7706 CT O1 gb_5
7707 CT O2 gb_5
7708 [ exclusions ]
7709 ; ai aj
7710 N1 HA3
7711 N1 C4
7712 N1 N5
7713 C2 OA4
7714 C2 C4A
7715 C2 N8
7716 NA2 HA3
7717 NA2 C4
7718 NA2 C8A
7719 N3 N5
7720 N3 C8A
7721 HA3 OA4
7722 HA3 C4A
7723 C4 N8
7724 OA4 N5
7725 OA4 C8A
7726 N10 C12
7727 N10 C16
7728 C14 C11
7729 C13 C16
7730 C13 C
7731 C15 C12
7732 C15 C
7733 [ angles ]
7734 ; ai aj ak gromos type
7735 C2 N1 C8A ga_26
7736 N1 C2 NA2 ga_26
7737 N1 C2 N3 ga_26
7738 NA2 C2 N3 ga_26
7739 C2 NA2 HA21 ga_22
7740 C2 NA2 HA22 ga_22
7741 HA21 NA2 HA22 ga_23
7742 C2 N3 HA3 ga_24
7743 C2 N3 C4 ga_26
7744 HA3 N3 C4 ga_24
7745 N3 C4 OA4 ga_26
7746 N3 C4 C4A ga_26
7747 OA4 C4 C4A ga_26
7748 C4 C4A N5 ga_26
7749 C4 C4A C8A ga_26
7750 N5 C4A C8A ga_26
7751 C4A N5 HA5 ga_24
7752 C4A N5 C6 ga_26
7753 HA5 N5 C6 ga_24
7754 N5 C6 C7 ga_7
7755 N5 C6 C9 ga_7
7756 C7 C6 C9 ga_7
7757 C6 C7 N8 ga_7
7758 C7 N8 HA8 ga_24
7759 C7 N8 C8A ga_26
7760 HA8 N8 C8A ga_24
7761 N1 C8A C4A ga_26
7762 N1 C8A N8 ga_26
7763 C4A C8A N8 ga_26
7764 C6 C9 N10 ga_14
7765 C9 N10 H10 ga_19
7766 C9 N10 C14 ga_32
7767 H10 N10 C14 ga_22
7768 N10 C14 C13 ga_26
7769 N10 C14 C15 ga_26
7770 C13 C14 C15 ga_26
7771 C14 C13 C12 ga_26
7772 C14 C15 C16 ga_26
7773 C13 C12 C11 ga_26
7774 C15 C16 C11 ga_26
7775 C12 C11 C16 ga_26
7776 C12 C11 C ga_26
7777 C16 C11 C ga_26
7778 C11 C O ga_29
7779 C11 C N ga_18
7780 O C N ga_32
7781 C N H ga_31
7782 C N CA ga_30
7783 H N CA ga_17
7784 N CA CB ga_12
7785 N CA CT ga_12
7786 CB CA CT ga_12
7787 CA CB CG ga_14
7788 CB CG CD ga_14
7789 CG CD OE1 ga_21
7790 CG CD OE2 ga_21
7791 OE1 CD OE2 ga_37
7792 CA CT O1 ga_21
7793 CA CT O2 ga_21
7794 O1 CT O2 ga_37
7795 [ impropers ]
7796 ; ai aj ak al gromos type
7797 C2 N1 N3 NA2 gi_1
7798 NA2 HA21 HA22 C2 gi_1
7799 N3 C2 C4 HA3 gi_1
7800 C4 N3 C4A OA4 gi_1
7801 N1 C2 N3 C4 gi_1
7802 C2 N3 C4 C4A gi_1
7803 N3 C4 C4A C8A gi_1
7804 C4 C4A C8A N1 gi_1
7805 C4A C8A N1 C2 gi_1
7806 C8A N1 C2 N3 gi_1
7807 C4A C4 N5 C8A gi_1
7808 C8A N1 N8 C4A gi_1
7809 C4A N5 C6 C7 gi_1
7810 N5 C6 C7 N8 gi_1
7811 C6 C7 N8 C8A gi_1
7812 C7 N8 C8A C4A gi_1
7813 N8 C8A C4A N5 gi_1
7814 C8A C4A N5 C6 gi_1
7815 N5 C4A C6 HA5 gi_1
7816 N8 C7 C8A HA8 gi_1
7817 C6 N5 C7 C9 gi_1
7818 N10 C9 C14 H10 gi_1
7819 C14 C13 C15 N10 gi_1
7820 C14 C13 C12 C11 gi_1
7821 C14 C15 C16 C11 gi_1
7822 C13 C14 C15 C16 gi_1
7823 C15 C14 C13 C12 gi_1
7824 C13 C12 C11 C16 gi_1
7825 C15 C16 C11 C12 gi_1
7826 C11 C12 C16 C gi_1
7827 C C11 N O gi_1
7828 N C CA H gi_1
7829 CA N CT CB gi_2
7830 CD OE1 OE2 CG gi_1
7831 CT CA O2 O1 gi_1
7832 [ dihedrals ]
7833 ; ai aj ak al gromos type
7834 N1 C2 NA2 HA21 gd_4
7835 N5 C6 C9 N10 gd_20
7836 C6 C9 N10 C14 gd_19
7837 C9 N10 C14 C13 gd_4
7838 C12 C11 C N gd_1
7839 C11 C N CA gd_4
7840 C N CA CT gd_19
7841 N CA CT O1 gd_20
7842 N CA CB CG gd_17
7843 CA CB CG CD gd_17
7844 CB CG CD OE1 gd_20
7846 [ TMP ]
7847 [ atoms ]
7848 N1 NR -0.36000 0
7849 C2 C 0.36000 0
7850 NA2 NT -0.83000 1
7851 HA21 H 0.41500 1
7852 HA22 H 0.41500 1
7853 N3 NR -0.36000 2
7854 C4 C 0.36000 2
7855 NA4 NT -0.83000 3
7856 HA41 H 0.41500 3
7857 HA42 H 0.41500 3
7858 C5 C 0.00000 4
7859 C6 CR1 0.00000 4
7860 C7 CH2 0.00000 4
7861 C11 C 0.00000 5
7862 C12 CR1 0.00000 5
7863 C16 CR1 0.00000 5
7864 C13 C 0.18000 6
7865 O13 OA -0.36000 6
7866 CM13 CH3 0.18000 6
7867 C15 C 0.18000 7
7868 O15 OA -0.36000 7
7869 CM15 CH3 0.18000 7
7870 C14 C 0.18000 8
7871 O14 OA -0.36000 8
7872 CM14 CH3 0.18000 8
7873 [ bonds ]
7874 N1 C2 gb_11
7875 N1 C6 gb_6
7876 C2 NA2 gb_8
7877 C2 N3 gb_11
7878 NA2 HA21 gb_2
7879 NA2 HA22 gb_2
7880 N3 C4 gb_11
7881 C4 NA4 gb_8
7882 C4 C5 gb_15
7883 NA4 HA41 gb_2
7884 NA4 HA42 gb_2
7885 C5 C6 gb_15
7886 C5 C7 gb_26
7887 C7 C11 gb_26
7888 C11 C12 gb_15
7889 C11 C16 gb_15
7890 C12 C13 gb_15
7891 C16 C15 gb_15
7892 C13 O13 gb_12
7893 C13 C14 gb_15
7894 O13 CM13 gb_17
7895 C15 O15 gb_12
7896 C15 C14 gb_15
7897 O15 CM15 gb_17
7898 C14 O14 gb_12
7899 O14 CM14 gb_17
7900 [ exclusions ]
7901 ; ai aj
7902 N1 C4
7903 N1 C7
7904 C2 NA4
7905 C2 C5
7906 NA2 C4
7907 NA2 C6
7908 N3 C6
7909 N3 C7
7910 C7 C13
7911 C7 C15
7912 C11 O13
7913 C11 O15
7914 C11 C14
7915 C12 C15
7916 C12 O14
7917 C16 C13
7918 C16 O14
7919 C13 O15
7920 O13 C15
7921 O13 O14
7922 O15 O14
7923 [ angles ]
7924 ; ai aj ak gromos type
7925 C2 N1 C6 ga_26
7926 N1 C2 NA2 ga_26
7927 N1 C2 N3 ga_26
7928 NA2 C2 N3 ga_26
7929 C2 NA2 HA21 ga_22
7930 C2 NA2 HA22 ga_22
7931 HA21 NA2 HA22 ga_23
7932 C2 N3 C4 ga_26
7933 N3 C4 NA4 ga_26
7934 N3 C4 C5 ga_26
7935 NA4 C4 C5 ga_26
7936 C4 NA4 HA41 ga_22
7937 C4 NA4 HA42 ga_22
7938 HA41 NA4 HA42 ga_23
7939 C4 C5 C6 ga_26
7940 C4 C5 C7 ga_26
7941 C6 C5 C7 ga_26
7942 N1 C6 C5 ga_26
7943 C5 C7 C11 ga_14
7944 C7 C11 C12 ga_26
7945 C7 C11 C16 ga_26
7946 C12 C11 C16 ga_26
7947 C11 C12 C13 ga_26
7948 C11 C16 C15 ga_26
7949 C12 C13 O13 ga_26
7950 C12 C13 C14 ga_26
7951 O13 C13 C14 ga_26
7952 C13 O13 CM13 ga_19
7953 C16 C15 O15 ga_26
7954 C16 C15 C14 ga_26
7955 O15 C15 C14 ga_26
7956 C15 O15 CM15 ga_19
7957 C13 C14 C15 ga_26
7958 C13 C14 O14 ga_26
7959 C15 C14 O14 ga_26
7960 C14 O14 CM14 ga_19
7961 [ impropers ]
7962 ; ai aj ak al gromos type
7963 C2 N1 N3 NA2 gi_1
7964 NA2 HA21 HA22 C2 gi_1
7965 C4 N3 C5 NA4 gi_1
7966 NA4 HA41 HA42 C4 gi_1
7967 N1 C2 N3 C4 gi_1
7968 C2 N3 C4 C5 gi_1
7969 N3 C4 C5 C6 gi_1
7970 C4 C5 C6 N1 gi_1
7971 C5 C6 N1 C2 gi_1
7972 C6 N1 C2 N3 gi_1
7973 C5 C4 C6 C7 gi_1
7974 C11 C12 C16 C7 gi_1
7975 C11 C12 C13 C14 gi_1
7976 C11 C16 C15 C14 gi_1
7977 C12 C13 C14 C15 gi_1
7978 C12 C11 C16 C15 gi_1
7979 C16 C15 C14 C13 gi_1
7980 C16 C11 C12 C13 gi_1
7981 C13 C12 O13 C14 gi_1
7982 C15 C16 O15 C14 gi_1
7983 C14 C13 O14 C15 gi_1
7984 [ dihedrals ]
7985 ; ai aj ak al gromos type
7986 N1 C2 NA2 HA21 gd_4
7987 C5 C4 NA4 HA41 gd_4
7988 C4 C5 C7 C11 gd_20
7989 C5 C7 C11 C12 gd_20
7990 C12 C13 O13 CM13 gd_2
7991 C12 C13 O13 CM13 gd_3
7992 C16 C15 O15 CM15 gd_2
7993 C16 C15 O15 CM15 gd_3
7994 C13 C14 O14 CM14 gd_2
7996 [ TMPH ]
7997 [ atoms ]
7998 N1 NR -0.28000 0
7999 HA1 H 0.28000 0
8000 C2 C 0.00000 0
8001 NA2 NT -0.83000 1
8002 HA21 H 0.41500 1
8003 HA22 H 0.41500 1
8004 N3 NR -0.36000 2
8005 C4 C 0.36000 2
8006 NA4 NT -0.83000 3
8007 HA41 H 0.41500 3
8008 HA42 H 0.41500 3
8009 C5 C 0.00000 4
8010 C6 CR1 0.00000 4
8011 C7 CH2 0.00000 4
8012 C11 C 0.00000 5
8013 C12 CR1 0.00000 5
8014 C16 CR1 0.00000 5
8015 C13 C 0.18000 6
8016 O13 OA -0.36000 6
8017 CM13 CH3 0.18000 6
8018 C15 C 0.18000 7
8019 O15 OA -0.36000 7
8020 CM15 CH3 0.18000 7
8021 C14 C 0.18000 8
8022 O14 OA -0.36000 8
8023 CM14 CH3 0.18000 8
8024 [ bonds ]
8025 N1 HA1 gb_2
8026 N1 C2 gb_16
8027 N1 C6 gb_16
8028 C2 NA2 gb_8
8029 C2 N3 gb_11
8030 NA2 HA21 gb_2
8031 NA2 HA22 gb_2
8032 N3 C4 gb_11
8033 C4 NA4 gb_8
8034 C4 C5 gb_15
8035 NA4 HA41 gb_2
8036 NA4 HA42 gb_2
8037 C5 C6 gb_15
8038 C5 C7 gb_26
8039 C7 C11 gb_26
8040 C11 C12 gb_15
8041 C11 C16 gb_15
8042 C12 C13 gb_15
8043 C16 C15 gb_15
8044 C13 O13 gb_12
8045 C13 C14 gb_15
8046 O13 CM13 gb_17
8047 C15 O15 gb_12
8048 C15 C14 gb_15
8049 O15 CM15 gb_17
8050 C14 O14 gb_12
8051 O14 CM14 gb_17
8052 [ exclusions ]
8053 ; ai aj
8054 N1 C4
8055 N1 C7
8056 HA1 NA2
8057 HA1 N3
8058 HA1 C5
8059 C2 NA4
8060 C2 C5
8061 NA2 C4
8062 NA2 C6
8063 N3 C6
8064 N3 C7
8065 NA4 C6
8066 NA4 C7
8067 C7 C13
8068 C7 C15
8069 C11 O13
8070 C11 O15
8071 C11 C14
8072 C12 C15
8073 C12 O14
8074 C16 C13
8075 C16 O14
8076 C13 O15
8077 O13 C15
8078 O13 O14
8079 O15 O14
8080 [ angles ]
8081 ; ai aj ak gromos type
8082 HA1 N1 C2 ga_24
8083 HA1 N1 C6 ga_24
8084 C2 N1 C6 ga_26
8085 N1 C2 NA2 ga_26
8086 N1 C2 N3 ga_26
8087 NA2 C2 N3 ga_26
8088 C2 NA2 HA21 ga_22
8089 C2 NA2 HA22 ga_22
8090 HA21 NA2 HA22 ga_23
8091 C2 N3 C4 ga_26
8092 N3 C4 NA4 ga_26
8093 N3 C4 C5 ga_26
8094 NA4 C4 C5 ga_26
8095 C4 NA4 HA41 ga_22
8096 C4 NA4 HA42 ga_22
8097 HA41 NA4 HA42 ga_23
8098 C4 C5 C6 ga_26
8099 C4 C5 C7 ga_26
8100 C6 C5 C7 ga_26
8101 N1 C6 C5 ga_26
8102 C5 C7 C11 ga_14
8103 C7 C11 C12 ga_26
8104 C7 C11 C16 ga_26
8105 C12 C11 C16 ga_26
8106 C11 C12 C13 ga_26
8107 C11 C16 C15 ga_26
8108 C12 C13 O13 ga_26
8109 C12 C13 C14 ga_26
8110 O13 C13 C14 ga_26
8111 C13 O13 CM13 ga_19
8112 C16 C15 O15 ga_26
8113 C16 C15 C14 ga_26
8114 O15 C15 C14 ga_26
8115 C15 O15 CM15 ga_19
8116 C13 C14 C15 ga_26
8117 C13 C14 O14 ga_26
8118 C15 C14 O14 ga_26
8119 C14 O14 CM14 ga_19
8120 [ impropers ]
8121 ; ai aj ak al gromos type
8122 N1 C2 C6 HA1 gi_1
8123 C2 N1 N3 NA2 gi_1
8124 NA2 HA21 HA22 C2 gi_1
8125 C4 N3 C5 NA4 gi_1
8126 NA4 HA41 HA42 C4 gi_1
8127 N1 C2 N3 C4 gi_1
8128 C2 N3 C4 C5 gi_1
8129 N3 C4 C5 C6 gi_1
8130 C4 C5 C6 N1 gi_1
8131 C5 C6 N1 C2 gi_1
8132 C6 N1 C2 N3 gi_1
8133 C5 C4 C6 C7 gi_1
8134 C11 C12 C16 C7 gi_1
8135 C11 C12 C13 C14 gi_1
8136 C11 C16 C15 C14 gi_1
8137 C12 C13 C14 C15 gi_1
8138 C12 C11 C16 C15 gi_1
8139 C16 C15 C14 C13 gi_1
8140 C16 C11 C12 C13 gi_1
8141 C13 C12 O13 C14 gi_1
8142 C15 C16 O15 C14 gi_1
8143 C14 C13 O14 C15 gi_1
8144 [ dihedrals ]
8145 ; ai aj ak al gromos type
8146 N1 C2 NA2 HA21 gd_4
8147 C5 C4 NA4 HA41 gd_4
8148 C4 C5 C7 C11 gd_20
8149 C5 C7 C11 C12 gd_20
8150 C12 C13 O13 CM13 gd_2
8151 C12 C13 O13 CM13 gd_3
8152 C16 C15 O15 CM15 gd_2
8153 C16 C15 O15 CM15 gd_3
8154 C13 C14 O14 CM14 gd_2
8156 [ TMPHP ]
8157 [ atoms ]
8158 N1 NR -0.36000 0
8159 HA1 H 0.36000 0
8160 C2 C 0.60000 0
8161 NA2 NT -0.73000 1
8162 HA21 H 0.41500 1
8163 HA22 H 0.41500 1
8164 N3 NR -0.36000 2
8165 C4 C 0.36000 2
8166 NA4 NT -0.83000 3
8167 HA41 H 0.41500 3
8168 HA42 H 0.41500 3
8169 C5 C 0.10000 4
8170 C6 CR1 0.20000 4
8171 C7 CH2 0.00000 4
8172 C11 C 0.00000 5
8173 C12 CR1 0.00000 5
8174 C16 CR1 0.00000 5
8175 C13 C 0.18000 6
8176 O13 OA -0.36000 6
8177 CM13 CH3 0.18000 6
8178 C15 C 0.18000 7
8179 O15 OA -0.36000 7
8180 CM15 CH3 0.18000 7
8181 C14 C 0.18000 8
8182 O14 OA -0.36000 8
8183 CM14 CH3 0.18000 8
8184 [ bonds ]
8185 N1 HA1 gb_2
8186 N1 C2 gb_16
8187 N1 C6 gb_16
8188 C2 NA2 gb_8
8189 C2 N3 gb_11
8190 NA2 HA21 gb_2
8191 NA2 HA22 gb_2
8192 N3 C4 gb_11
8193 C4 NA4 gb_8
8194 C4 C5 gb_15
8195 NA4 HA41 gb_2
8196 NA4 HA42 gb_2
8197 C5 C6 gb_15
8198 C5 C7 gb_26
8199 C7 C11 gb_26
8200 C11 C12 gb_15
8201 C11 C16 gb_15
8202 C12 C13 gb_15
8203 C16 C15 gb_15
8204 C13 O13 gb_12
8205 C13 C14 gb_15
8206 O13 CM13 gb_1
8207 C15 O15 gb_12
8208 C15 C14 gb_15
8209 O15 CM15 gb_1
8210 C14 O14 gb_12
8211 O14 CM14 gb_1
8212 [ exclusions ]
8213 ; ai aj
8214 N1 C4
8215 N1 C7
8216 HA1 NA2
8217 HA1 N3
8218 HA1 C5
8219 C2 NA4
8220 C2 C5
8221 NA2 C4
8222 NA2 C6
8223 N3 C6
8224 N3 C7
8225 NA4 C6
8226 NA4 C7
8227 C7 C13
8228 C7 C15
8229 C11 O13
8230 C11 O15
8231 C11 C14
8232 C12 C15
8233 C12 O14
8234 C16 C13
8235 C16 O14
8236 C13 O15
8237 O13 C15
8238 O13 O14
8239 O15 O14
8240 [ angles ]
8241 ; ai aj ak gromos type
8242 HA1 N1 C2 ga_24
8243 HA1 N1 C6 ga_24
8244 C2 N1 C6 ga_26
8245 N1 C2 NA2 ga_26
8246 N1 C2 N3 ga_26
8247 NA2 C2 N3 ga_26
8248 C2 NA2 HA21 ga_22
8249 C2 NA2 HA22 ga_22
8250 HA21 NA2 HA22 ga_23
8251 C2 N3 C4 ga_26
8252 N3 C4 NA4 ga_26
8253 N3 C4 C5 ga_26
8254 NA4 C4 C5 ga_26
8255 C4 NA4 HA41 ga_22
8256 C4 NA4 HA42 ga_22
8257 HA41 NA4 HA42 ga_23
8258 C4 C5 C6 ga_26
8259 C4 C5 C7 ga_26
8260 C6 C5 C7 ga_26
8261 N1 C6 C5 ga_26
8262 C5 C7 C11 ga_14
8263 C7 C11 C12 ga_26
8264 C7 C11 C16 ga_26
8265 C12 C11 C16 ga_26
8266 C11 C12 C13 ga_26
8267 C11 C16 C15 ga_26
8268 C12 C13 O13 ga_26
8269 C12 C13 C14 ga_26
8270 O13 C13 C14 ga_26
8271 C13 O13 CM13 ga_19
8272 C16 C15 O15 ga_26
8273 C16 C15 C14 ga_26
8274 O15 C15 C14 ga_26
8275 C15 O15 CM15 ga_19
8276 C13 C14 C15 ga_26
8277 C13 C14 O14 ga_26
8278 C15 C14 O14 ga_26
8279 C14 O14 CM14 ga_19
8280 [ impropers ]
8281 ; ai aj ak al gromos type
8282 N1 C2 C6 HA1 gi_1
8283 C2 N1 N3 NA2 gi_1
8284 NA2 HA21 HA22 C2 gi_1
8285 C4 N3 C5 NA4 gi_1
8286 NA4 HA41 HA42 C4 gi_1
8287 N1 C2 N3 C4 gi_1
8288 C2 N3 C4 C5 gi_1
8289 N3 C4 C5 C6 gi_1
8290 C4 C5 C6 N1 gi_1
8291 C5 C6 N1 C2 gi_1
8292 C6 N1 C2 N3 gi_1
8293 C5 C4 C6 C7 gi_1
8294 C11 C12 C16 C7 gi_1
8295 C11 C12 C13 C14 gi_1
8296 C11 C16 C15 C14 gi_1
8297 C12 C13 C14 C15 gi_1
8298 C12 C11 C16 C15 gi_1
8299 C16 C15 C14 C13 gi_1
8300 C16 C11 C12 C13 gi_1
8301 C13 C12 O13 C14 gi_1
8302 C15 C16 O15 C14 gi_1
8303 C14 C13 O14 C15 gi_1
8304 [ dihedrals ]
8305 ; ai aj ak al gromos type
8306 N1 C2 NA2 HA21 gd_4
8307 C5 C4 NA4 HA41 gd_4
8308 C4 C5 C7 C11 gd_20
8309 C5 C7 C11 C12 gd_20
8310 C12 C13 O13 CM13 gd_2
8311 C12 C13 O13 CM13 gd_3
8312 C16 C15 O15 CM15 gd_2
8313 C16 C15 O15 CM15 gd_3
8314 C13 C14 O14 CM14 gd_2
8316 [ PDG ]
8317 [ atoms ]
8318 P P 0.63000 0
8319 O1P OM -0.63500 0
8320 O2P OM -0.63500 0
8321 O3P OA -0.54800 0
8322 H3P H 0.39800 0
8323 O4P OA -0.36000 0
8324 C1 CH2 0.15000 0
8325 C2 CH1 0.15000 1
8326 O2 OA -0.54800 1
8327 H2 H 0.39800 1
8328 C3 C 0.27000 2
8329 OT1 OM -0.63500 2
8330 OT2 OM -0.63500 2
8331 [ bonds ]
8332 P O1P gb_23
8333 P O2P gb_23
8334 P O3P gb_27
8335 P O4P gb_27
8336 O3P H3P gb_1
8337 O4P C1 gb_17
8338 C1 C2 gb_26
8339 C2 O2 gb_17
8340 C2 C3 gb_26
8341 O2 H2 gb_1
8342 C3 OT1 gb_5
8343 C3 OT2 gb_5
8344 [ exclusions ]
8345 ; ai aj
8346 O1P H3P
8347 O2P H3P
8348 H3P O4P
8349 [ angles ]
8350 ; ai aj ak gromos type
8351 O1P P O2P ga_28
8352 O1P P O3P ga_13
8353 O1P P O4P ga_13
8354 O2P P O3P ga_13
8355 O2P P O4P ga_13
8356 O3P P O4P ga_4
8357 P O3P H3P ga_11
8358 P O4P C1 ga_25
8359 O4P C1 C2 ga_14
8360 C1 C2 O2 ga_14
8361 C1 C2 C3 ga_12
8362 O2 C2 C3 ga_12
8363 C2 O2 H2 ga_11
8364 C2 C3 OT1 ga_21
8365 C2 C3 OT2 ga_21
8366 OT1 C3 OT2 ga_37
8367 [ impropers ]
8368 ; ai aj ak al gromos type
8369 C2 C1 C3 O2 gi_2
8370 C3 C2 OT2 OT1 gi_1
8371 [ dihedrals ]
8372 ; ai aj ak al gromos type
8373 O4P P O3P H3P gd_11
8374 O4P P O3P H3P gd_9
8375 O3P P O4P C1 gd_11
8376 O3P P O4P C1 gd_9
8377 P O4P C1 C2 gd_14
8378 O4P C1 C2 C3 gd_17
8379 C1 C2 O2 H2 gd_12
8380 C1 C2 C3 OT1 gd_20
8382 [ ATP ]
8383 [ atoms ]
8384 AN9 NR -0.20000 0
8385 AC4 C 0.20000 0
8386 AN3 NR -0.36000 1
8387 AC2 CR1 0.36000 1
8388 AN1 NR -0.36000 2
8389 AC6 C 0.36000 2
8390 AN6 NT -0.83000 3
8391 AH61 H 0.41500 3
8392 AH62 H 0.41500 3
8393 AC5 C 0.00000 4
8394 AN7 NR -0.36000 4
8395 AC8 CR1 0.36000 4
8396 AC1* CH1 0.20000 5
8397 AO4* OA -0.36000 5
8398 AC4* CH1 0.16000 5
8399 AC2* CH1 0.15000 6
8400 AO2* OA -0.54800 6
8401 AH2* H 0.39800 6
8402 AC3* CH1 0.15000 7
8403 AO3* OA -0.54800 7
8404 AH3* H 0.39800 7
8405 AC5* CH2 0.00000 8
8406 AO5* OA -0.36000 9
8407 APA P 0.70500 9
8408 AO1PA OM -0.63500 9
8409 AO2PA OM -0.63500 9
8410 AO3PA OA -0.36000 10
8411 APB P 0.70500 10
8412 AO1PB OM -0.63500 10
8413 AO2PB OM -0.63500 10
8414 AO3PB OA -0.36000 11
8415 APG P 0.63000 11
8416 AO1PG OM -0.63500 11
8417 AO2PG OM -0.63500 11
8418 AO3PG OA -0.54800 11
8419 AH3PG H 0.39800 11
8420 [ bonds ]
8421 AN9 AC4 gb_9
8422 AN9 AC8 gb_9
8423 AN9 AC1* gb_21
8424 AC4 AN3 gb_11
8425 AC4 AC5 gb_15
8426 AN3 AC2 gb_6
8427 AC2 AN1 gb_6
8428 AN1 AC6 gb_11
8429 AC6 AN6 gb_8
8430 AC6 AC5 gb_15
8431 AN6 AH61 gb_2
8432 AN6 AH62 gb_2
8433 AC5 AN7 gb_9
8434 AN7 AC8 gb_9
8435 AC1* AO4* gb_19
8436 AC1* AC2* gb_25
8437 AO4* AC4* gb_19
8438 AC4* AC3* gb_25
8439 AC4* AC5* gb_25
8440 AC2* AO2* gb_19
8441 AC2* AC3* gb_25
8442 AO2* AH2* gb_1
8443 AC3* AO3* gb_19
8444 AO3* AH3* gb_1
8445 AC5* AO5* gb_19
8446 AO5* APA gb_27
8447 APA AO1PA gb_23
8448 APA AO2PA gb_23
8449 APA AO3PA gb_27
8450 AO3PA APB gb_27
8451 APB AO1PB gb_23
8452 APB AO2PB gb_23
8453 APB AO3PB gb_27
8454 AO3PB APG gb_27
8455 APG AO1PG gb_23
8456 APG AO2PG gb_23
8457 APG AO3PG gb_27
8458 AO3PG AH3PG gb_1
8459 [ exclusions ]
8460 ; ai aj
8461 AN9 AC2
8462 AN9 AC6
8463 AC4 AN1
8464 AC4 AN6
8465 AN3 AC6
8466 AN3 AN7
8467 AN3 AC8
8468 AN3 AC1*
8469 AC2 AN6
8470 AC2 AC5
8471 AN1 AN7
8472 AC6 AC8
8473 AC5 AC1*
8474 AN7 AC1*
8475 AO3PB AH3PG
8476 AO1PG AH3PG
8477 AO2PG AH3PG
8478 [ angles ]
8479 ; ai aj ak gromos type
8480 AC4 AN9 AC8 ga_6
8481 AC4 AN9 AC1* ga_36
8482 AC8 AN9 AC1* ga_36
8483 AN9 AC4 AN3 ga_38
8484 AN9 AC4 AC5 ga_6
8485 AN3 AC4 AC5 ga_26
8486 AC4 AN3 AC2 ga_26
8487 AN3 AC2 AN1 ga_26
8488 AC2 AN1 AC6 ga_26
8489 AN1 AC6 AN6 ga_26
8490 AN1 AC6 AC5 ga_26
8491 AN6 AC6 AC5 ga_26
8492 AC6 AN6 AH61 ga_22
8493 AC6 AN6 AH62 ga_22
8494 AH61 AN6 AH62 ga_23
8495 AC4 AC5 AC6 ga_26
8496 AC4 AC5 AN7 ga_6
8497 AC6 AC5 AN7 ga_38
8498 AC5 AN7 AC8 ga_6
8499 AN9 AC8 AN7 ga_6
8500 AN9 AC1* AO4* ga_8
8501 AN9 AC1* AC2* ga_8
8502 AO4* AC1* AC2* ga_8
8503 AC1* AO4* AC4* ga_9
8504 AO4* AC4* AC3* ga_8
8505 AO4* AC4* AC5* ga_8
8506 AC3* AC4* AC5* ga_7
8507 AC1* AC2* AO2* ga_8
8508 AC1* AC2* AC3* ga_7
8509 AO2* AC2* AC3* ga_8
8510 AC2* AO2* AH2* ga_11
8511 AC4* AC3* AC2* ga_7
8512 AC4* AC3* AO3* ga_8
8513 AC2* AC3* AO3* ga_8
8514 AC3* AO3* AH3* ga_11
8515 AC4* AC5* AO5* ga_8
8516 AC5* AO5* APA ga_25
8517 AO5* APA AO1PA ga_13
8518 AO5* APA AO2PA ga_13
8519 AO5* APA AO3PA ga_4
8520 AO1PA APA AO2PA ga_28
8521 AO1PA APA AO3PA ga_13
8522 AO2PA APA AO3PA ga_13
8523 APA AO3PA APB ga_25
8524 AO3PA APB AO1PB ga_13
8525 AO3PA APB AO2PB ga_13
8526 AO3PA APB AO3PB ga_4
8527 AO1PB APB AO2PB ga_28
8528 AO1PB APB AO3PB ga_13
8529 AO2PB APB AO3PB ga_13
8530 APB AO3PB APG ga_25
8531 AO3PB APG AO1PG ga_13
8532 AO3PB APG AO2PG ga_13
8533 AO3PB APG AO3PG ga_4
8534 AO1PG APG AO2PG ga_28
8535 AO1PG APG AO3PG ga_13
8536 AO2PG APG AO3PG ga_13
8537 APG AO3PG AH3PG ga_11
8538 [ impropers ]
8539 ; ai aj ak al gromos type
8540 AN9 AC8 AC4 AC1* gi_1
8541 AC4 AN9 AC8 AN7 gi_1
8542 AC8 AN9 AC4 AC5 gi_1
8543 AN9 AC8 AN7 AC5 gi_1
8544 AN9 AC4 AC5 AN7 gi_1
8545 AC8 AN7 AC5 AC4 gi_1
8546 AC4 AN9 AN3 AC5 gi_1
8547 AC5 AC6 AN7 AC4 gi_1
8548 AN3 AC4 AC5 AC6 gi_1
8549 AC4 AC5 AC6 AN1 gi_1
8550 AC5 AC4 AN3 AC2 gi_1
8551 AC5 AC6 AN1 AC2 gi_1
8552 AC4 AN3 AC2 AN1 gi_1
8553 AN3 AC2 AN1 AC6 gi_1
8554 AC6 AC5 AN1 AN6 gi_1
8555 AN6 AH61 AH62 AC6 gi_1
8556 AC1* AN9 AO4* AC2* gi_2
8557 AC4* AO4* AC5* AC3* gi_2
8558 AC2* AO2* AC3* AC1* gi_2
8559 AC3* AC2* AO3* AC4* gi_2
8560 [ dihedrals ]
8561 ; ai aj ak al gromos type
8562 AC5 AC6 AN6 AH61 gd_4
8563 AO4* AC1* AN9 AC4 gd_6
8564 AC1* AC2* AO2* AH2* gd_12
8565 AC4* AC3* AO3* AH3* gd_12
8566 AC4* AO4* AC1* AC2* gd_14
8567 AC3* AC4* AO4* AC1* gd_14
8568 AC3* AC2* AC1* AO4* gd_17
8569 AC3* AC2* AC1* AO4* gd_7
8570 AO2* AC2* AC1* AN9 gd_7
8571 AO2* AC2* AC1* AO4* gd_8
8572 AC4* AC3* AC2* AC1* gd_17
8573 AO3* AC3* AC2* AC1* gd_7
8574 AC4* AC3* AC2* AO2* gd_7
8575 AO3* AC3* AC2* AO2* gd_8
8576 AC5* AC4* AC3* AC2* gd_17
8577 AC5* AC4* AC3* AO3* gd_7
8578 AO4* AC4* AC3* AC2* gd_7
8579 AO4* AC4* AC3* AO3* gd_8
8580 AO5* AC5* AC4* AC3* gd_17
8581 AO5* AC5* AC4* AC3* gd_7
8582 AO5* AC5* AC4* AO4* gd_8
8583 AC4* AC5* AO5* APA gd_14
8584 AC5* AO5* APA AO3PA gd_11
8585 AC5* AO5* APA AO3PA gd_9
8586 AO5* APA AO3PA APB gd_11
8587 AO5* APA AO3PA APB gd_9
8588 APA AO3PA APB AO3PB gd_11
8589 APA AO3PA APB AO3PB gd_9
8590 AO3PA APB AO3PB APG gd_11
8591 AO3PA APB AO3PB APG gd_9
8592 APB AO3PB APG AO3PG gd_11
8593 APB AO3PB APG AO3PG gd_9
8594 AO3PB APG AO3PG AH3PG gd_11
8595 AO3PB APG AO3PG AH3PG gd_9
8597 [ PMB ]
8598 [ atoms ]
8599 PC8 CH3 0.00000 0
8600 PC5 C 0.00000 0
8601 PC4 CR1 0.00000 0
8602 PC6 CR1 0.00000 0
8603 PC3 CR1 0.00000 1
8604 PC7 CR1 0.00000 1
8605 PC2 C 0.00000 1
8606 PC1 C 0.00000 2
8607 PO OM -0.60000 2
8608 PHC1 HC -0.20000 2
8609 PHC2 HC -0.20000 2
8610 [ bonds ]
8611 PC8 PC5 gb_26
8612 PC5 PC4 gb_15
8613 PC5 PC6 gb_15
8614 PC4 PC3 gb_15
8615 PC6 PC7 gb_15
8616 PC3 PC2 gb_15
8617 PC7 PC2 gb_15
8618 PC2 PC1 gb_26
8619 PC1 PO gb_18
8620 PC1 PHC1 gb_3
8621 PC1 PHC2 gb_3
8622 [ exclusions ]
8623 ; ai aj
8624 PC8 PC3
8625 PC8 PC7
8626 PC5 PC2
8627 PC4 PC7
8628 PC4 PC1
8629 PC6 PC3
8630 PC6 PC1
8631 [ angles ]
8632 ; ai aj ak gromos type
8633 PC8 PC5 PC4 ga_26
8634 PC8 PC5 PC6 ga_26
8635 PC4 PC5 PC6 ga_26
8636 PC5 PC4 PC3 ga_26
8637 PC5 PC6 PC7 ga_26
8638 PC4 PC3 PC2 ga_26
8639 PC6 PC7 PC2 ga_26
8640 PC3 PC2 PC7 ga_26
8641 PC3 PC2 PC1 ga_26
8642 PC7 PC2 PC1 ga_26
8643 PC2 PC1 PO ga_12
8644 PC2 PC1 PHC1 ga_10
8645 PC2 PC1 PHC2 ga_10
8646 PO PC1 PHC1 ga_10
8647 PO PC1 PHC2 ga_10
8648 PHC1 PC1 PHC2 ga_9
8649 [ impropers ]
8650 ; ai aj ak al gromos type
8651 PC5 PC4 PC6 PC8 gi_1
8652 PC6 PC5 PC4 PC3 gi_1
8653 PC4 PC5 PC6 PC7 gi_1
8654 PC5 PC4 PC3 PC2 gi_1
8655 PC5 PC6 PC7 PC2 gi_1
8656 PC4 PC3 PC2 PC7 gi_1
8657 PC6 PC7 PC2 PC3 gi_1
8658 PC2 PC3 PC7 PC1 gi_1
8659 [ dihedrals ]
8660 ; ai aj ak al gromos type
8661 PC3 PC2 PC1 PO gd_20
8663 [ PMBH ]
8664 [ atoms ]
8665 PC8 CH3 0.00000 0
8666 PC5 C 0.00000 0
8667 PC4 CR1 0.00000 0
8668 PC6 CR1 0.00000 0
8669 PC3 CR1 0.00000 1
8670 PC7 CR1 0.00000 1
8671 PC2 C 0.00000 1
8672 PC1 C -0.05000 2
8673 PO OA -0.54800 2
8674 PH H 0.39800 2
8675 PHC1 HC 0.10000 2
8676 PHC2 HC 0.10000 2
8677 [ bonds ]
8678 PC8 PC5 gb_26
8679 PC5 PC4 gb_15
8680 PC5 PC6 gb_15
8681 PC4 PC3 gb_15
8682 PC6 PC7 gb_15
8683 PC3 PC2 gb_15
8684 PC7 PC2 gb_15
8685 PC2 PC1 gb_26
8686 PC1 PO gb_12
8687 PO PH gb_1
8688 PC1 PHC1 gb_3
8689 PC1 PHC2 gb_3
8690 [ exclusions ]
8691 ; ai aj
8692 PC8 PC3
8693 PC8 PC7
8694 PC5 PC2
8695 PC4 PC7
8696 PC4 PC1
8697 PC6 PC3
8698 PC6 PC1
8699 [ angles ]
8700 ; ai aj ak gromos type
8701 PC8 PC5 PC4 ga_26
8702 PC8 PC5 PC6 ga_26
8703 PC4 PC5 PC6 ga_26
8704 PC5 PC4 PC3 ga_26
8705 PC5 PC6 PC7 ga_26
8706 PC4 PC3 PC2 ga_26
8707 PC6 PC7 PC2 ga_26
8708 PC3 PC2 PC7 ga_26
8709 PC3 PC2 PC1 ga_26
8710 PC7 PC2 PC1 ga_26
8711 PC2 PC1 PO ga_12
8712 PC1 PO PH ga_11
8713 PC2 PC1 PHC1 ga_10
8714 PC2 PC1 PHC2 ga_10
8715 PO PC1 PHC1 ga_10
8716 PO PC1 PHC2 ga_10
8717 PHC1 PC1 PHC2 ga_9
8718 [ impropers ]
8719 ; ai aj ak al gromos type
8720 PC5 PC4 PC6 PC8 gi_1
8721 PC6 PC5 PC4 PC3 gi_1
8722 PC4 PC5 PC6 PC7 gi_1
8723 PC5 PC4 PC3 PC2 gi_1
8724 PC5 PC6 PC7 PC2 gi_1
8725 PC4 PC3 PC2 PC7 gi_1
8726 PC6 PC7 PC2 PC3 gi_1
8727 PC2 PC3 PC7 PC1 gi_1
8728 [ dihedrals ]
8729 ; ai aj ak al gromos type
8730 PC3 PC2 PC1 PO gd_20
8731 PC2 PC1 PO PH gd_12
8733 [ BA ]
8734 [ atoms ]
8735 C3 C -0.10000 0
8736 H3 HC 0.10000 0
8737 C2 C -0.10000 1
8738 H2 HC 0.10000 1
8739 C4 C -0.10000 2
8740 H4 HC 0.10000 2
8741 C1 C -0.10000 3
8742 H1 HC 0.10000 3
8743 C5 C -0.10000 4
8744 H5 HC 0.10000 4
8745 C6 C 0.00000 5
8746 C7 C 0.53000 6
8747 O8 O -0.38000 6
8748 O9 OA -0.54800 6
8749 H9 H 0.39800 6
8750 [ bonds ]
8751 C3 H3 gb_3
8752 C3 C2 gb_15
8753 C3 C4 gb_15
8754 C2 H2 gb_3
8755 C2 C1 gb_15
8756 C4 H4 gb_3
8757 C4 C5 gb_15
8758 C1 H1 gb_3
8759 C1 C6 gb_15
8760 C5 H5 gb_3
8761 C5 C6 gb_15
8762 C6 C7 gb_22
8763 C7 O8 gb_4
8764 C7 O9 gb_12
8765 O9 H9 gb_1
8766 [ exclusions ]
8767 ; ai aj
8768 C3 H1
8769 C3 H5
8770 C3 C6
8771 H3 H2
8772 H3 H4
8773 H3 C1
8774 H3 C5
8775 C2 H4
8776 C2 C5
8777 C2 C7
8778 H2 C4
8779 H2 H1
8780 H2 C6
8781 C4 C1
8782 C4 C7
8783 H4 H5
8784 H4 C6
8785 C1 H5
8786 H1 C5
8787 H1 C7
8788 H5 C7
8789 [ angles ]
8790 ; ai aj ak gromos type
8791 H3 C3 C2 ga_24
8792 H3 C3 C4 ga_24
8793 C2 C3 C4 ga_26
8794 C3 C2 H2 ga_24
8795 C3 C2 C1 ga_26
8796 H2 C2 C1 ga_24
8797 C3 C4 H4 ga_24
8798 C3 C4 C5 ga_26
8799 H4 C4 C5 ga_24
8800 C2 C1 H1 ga_24
8801 C2 C1 C6 ga_26
8802 H1 C1 C6 ga_24
8803 C4 C5 H5 ga_24
8804 C4 C5 C6 ga_26
8805 H5 C5 C6 ga_24
8806 C1 C6 C5 ga_26
8807 C1 C6 C7 ga_26
8808 C5 C6 C7 ga_26
8809 C6 C7 O8 ga_29
8810 C6 C7 O9 ga_18
8811 O8 C7 O9 ga_32
8812 C7 O9 H9 ga_11
8813 [ impropers ]
8814 ; ai aj ak al gromos type
8815 C3 C2 C4 H3 gi_1
8816 C2 C1 C3 H2 gi_1
8817 C4 C5 C3 H4 gi_1
8818 C1 C2 C6 H1 gi_1
8819 C5 C4 C6 H5 gi_1
8820 C3 C2 C1 C6 gi_1
8821 C3 C4 C5 C6 gi_1
8822 C2 C3 C4 C5 gi_1
8823 C4 C3 C2 C1 gi_1
8824 C2 C1 C6 C5 gi_1
8825 C4 C5 C6 C1 gi_1
8826 C6 C1 C5 C7 gi_1
8827 C7 O8 O9 C6 gi_1
8828 [ dihedrals ]
8829 ; ai aj ak al gromos type
8830 C1 C6 C7 O9 gd_1
8831 C6 C7 O9 H9 gd_3
8833 [ RTOL ]
8834 [ atoms ]
8835 C18 CH3 0.00000 0
8836 C17 CH3 0.00000 0
8837 C1 C 0.00000 0
8838 C2 CH2 0.00000 1
8839 C3 CH2 0.00000 1
8840 C4 CH2 0.00000 1
8841 C5 C 0.00000 2
8842 C16 CH3 0.00000 2
8843 C6 C 0.00000 2
8844 C7 CR1 0.00000 3
8845 C8 CR1 0.00000 3
8846 C9 C 0.00000 4
8847 C19 CH3 0.00000 4
8848 C10 CR1 0.00000 4
8849 C11 CR1 0.00000 5
8850 C12 CR1 0.00000 5
8851 C13 C 0.00000 6
8852 C20 CH3 0.00000 6
8853 C14 CR1 0.00000 6
8854 C15 CH2 0.15000 7
8855 O21 OA -0.54800 7
8856 H21 H 0.39800 7
8857 [ bonds ]
8858 C18 C1 gb_26
8859 C17 C1 gb_26
8860 C1 C2 gb_26
8861 C1 C6 gb_26
8862 C2 C3 gb_26
8863 C3 C4 gb_26
8864 C4 C5 gb_26
8865 C5 C16 gb_26
8866 C5 C6 gb_9
8867 C6 C7 gb_22
8868 C7 C8 gb_12
8869 C8 C9 gb_22
8870 C9 C19 gb_26
8871 C9 C10 gb_12
8872 C10 C11 gb_22
8873 C11 C12 gb_12
8874 C12 C13 gb_22
8875 C13 C20 gb_26
8876 C13 C14 gb_12
8877 C14 C15 gb_22
8878 C15 O21 gb_17
8879 O21 H21 gb_1
8880 [ angles ]
8881 ; ai aj ak gromos type
8882 C18 C1 C17 ga_12
8883 C18 C1 C2 ga_12
8884 C18 C1 C6 ga_12
8885 C17 C1 C2 ga_12
8886 C17 C1 C6 ga_12
8887 C2 C1 C6 ga_12
8888 C1 C2 C3 ga_12
8889 C2 C3 C4 ga_12
8890 C3 C4 C5 ga_12
8891 C4 C5 C16 ga_26
8892 C4 C5 C6 ga_26
8893 C16 C5 C6 ga_26
8894 C1 C6 C5 ga_26
8895 C1 C6 C7 ga_26
8896 C5 C6 C7 ga_26
8897 C6 C7 C8 ga_26
8898 C7 C8 C9 ga_26
8899 C8 C9 C19 ga_26
8900 C8 C9 C10 ga_26
8901 C19 C9 C10 ga_26
8902 C9 C10 C11 ga_26
8903 C10 C11 C12 ga_26
8904 C11 C12 C13 ga_26
8905 C12 C13 C20 ga_26
8906 C12 C13 C14 ga_26
8907 C20 C13 C14 ga_26
8908 C13 C14 C15 ga_26
8909 C14 C15 O21 ga_12
8910 C15 O21 H21 ga_11
8911 [ impropers ]
8912 ; ai aj ak al gromos type
8913 C5 C4 C6 C16 gi_1
8914 C6 C1 C7 C5 gi_1
8915 C9 C8 C10 C19 gi_1
8916 C13 C12 C14 C20 gi_1
8917 [ dihedrals ]
8918 ; ai aj ak al gromos type
8919 C1 C2 C3 C4 gd_17
8920 C6 C1 C2 C3 gd_17
8921 C2 C3 C4 C5 gd_17
8922 C2 C1 C6 C5 gd_17
8923 C3 C4 C5 C6 gd_17
8924 C4 C5 C6 C1 gd_4
8925 C5 C6 C7 C8 gd_17
8926 C6 C7 C8 C9 gd_4
8927 C7 C8 C9 C10 gd_3
8928 C8 C9 C10 C11 gd_4
8929 C9 C10 C11 C12 gd_3
8930 C10 C11 C12 C13 gd_4
8931 C11 C12 C13 C14 gd_3
8932 C12 C13 C14 C15 gd_4
8933 C13 C14 C15 O21 gd_20
8934 C14 C15 O21 H21 gd_12
8936 [ TEMP ]
8937 [ atoms ]
8938 O1 O -0.20000 0
8939 N1 NR -0.03600 0
8940 C1 C 0.11800 0
8941 C4 C 0.11800 0
8942 CA C 0.00000 1
8943 C3 CR1 0.00000 1
8944 C6 CH3 0.00000 2
8945 C7 CH3 0.00000 3
8946 C8 CH3 0.00000 4
8947 C9 CH3 0.00000 5
8948 C5 C 0.38000 6
8949 O5 O -0.38000 6
8950 [ bonds ]
8951 O1 N1 gb_5
8952 N1 C1 gb_21
8953 N1 C4 gb_21
8954 C1 CA gb_24
8955 C1 C6 gb_25
8956 C1 C7 gb_25
8957 C4 C3 gb_24
8958 C4 C8 gb_25
8959 C4 C9 gb_25
8960 CA C3 gb_6
8961 CA C5 gb_22
8962 C5 O5 gb_4
8963 C5 +N gb_9
8964 [ exclusions ]
8965 ; ai aj
8966 O1 CA
8967 O1 C3
8968 O1 C6
8969 O1 C7
8970 O1 C8
8971 O1 C9
8972 N1 C5
8973 C1 C8
8974 C1 C9
8975 C4 C6
8976 C4 C7
8977 C4 C5
8978 CA C8
8979 CA C9
8980 C3 C6
8981 C3 C7
8982 C6 C5
8983 C7 C5
8984 [ angles ]
8985 ; ai aj ak gromos type
8986 O1 N1 C1 ga_30
8987 O1 N1 C4 ga_30
8988 C1 N1 C4 ga_18
8989 N1 C1 CA ga_2
8990 N1 C1 C6 ga_12
8991 N1 C1 C7 ga_12
8992 CA C1 C6 ga_15
8993 CA C1 C7 ga_15
8994 C6 C1 C7 ga_14
8995 C1 CA C3 ga_15
8996 C1 CA C5 ga_30
8997 C3 CA C5 ga_34
8998 CA C3 C4 ga_15
8999 N1 C4 C3 ga_2
9000 N1 C4 C8 ga_12
9001 N1 C4 C9 ga_12
9002 C3 C4 C8 ga_15
9003 C3 C4 C9 ga_15
9004 C8 C4 C9 ga_14
9005 CA C5 O5 ga_29
9006 CA C5 +N ga_18
9007 O5 C5 +N ga_32
9008 [ impropers ]
9009 ; ai aj ak al gromos type
9010 N1 C1 C4 O1 gi_1
9011 N1 C1 CA C3 gi_1
9012 C1 CA C3 C4 gi_1
9013 CA C3 C4 N1 gi_1
9014 C3 C4 N1 C1 gi_1
9015 C4 N1 C1 CA gi_1
9016 CA C1 C3 C5 gi_1
9017 C5 CA +N O5 gi_1
9018 [ dihedrals ]
9019 ; ai aj ak al gromos type
9020 C3 CA C5 +N gd_4
9022 [ ETH ]
9023 [ atoms ]
9024 EO OM -0.60000 0
9025 EC1 CH2 -0.40000 0
9026 EC2 CH3 0.00000 0
9027 [ bonds ]
9028 EO EC1 gb_18
9029 EC1 EC2 gb_26
9030 [ angles ]
9031 ; ai aj ak gromos type
9032 EO EC1 EC2 ga_12
9033 [ impropers ]
9034 ; ai aj ak al gromos type
9035 [ dihedrals ]
9036 ; ai aj ak al gromos type
9038 [ ETHH ]
9039 [ atoms ]
9040 EH H 0.39800 0
9041 EO OA -0.54800 0
9042 EC1 CH2 0.15000 0
9043 EC2 CH3 0.00000 1
9044 [ bonds ]
9045 EH EO gb_1
9046 EO EC1 gb_17
9047 EC1 EC2 gb_26
9048 [ angles ]
9049 ; ai aj ak gromos type
9050 EH EO EC1 ga_11
9051 EO EC1 EC2 ga_14
9052 [ impropers ]
9053 ; ai aj ak al gromos type
9054 [ dihedrals ]
9055 ; ai aj ak al gromos type
9056 EH EO EC1 EC2 gd_12
9058 [ CH4 ]
9059 [ atoms ]
9060 CM CH4 0.00000 0
9061 [ bonds ]
9062 [ angles ]
9063 ; ai aj ak gromos type
9064 [ impropers ]
9065 ; ai aj ak al gromos type
9066 [ dihedrals ]
9067 ; ai aj ak al gromos type
9069 [ AR ]
9070 [ atoms ]
9071 AR AR 0.00000 0
9072 [ bonds ]
9073 [ angles ]
9074 ; ai aj ak gromos type
9075 [ impropers ]
9076 ; ai aj ak al gromos type
9077 [ dihedrals ]
9078 ; ai aj ak al gromos type
9080 [ SO42- ]
9081 [ atoms ]
9082 S S 0.540 0
9083 O1 OM -0.635 0
9084 O2 OM -0.635 0
9085 O3 OM -0.635 0
9086 O4 OM -0.635 0
9087 [ bonds ]
9088 S O1 gb_24
9089 S O2 gb_24
9090 S O3 gb_24
9091 S O4 gb_24
9092 [ angles ]
9093 ; ai aj ak gromos type
9094 O1 S O2 ga_12
9095 O1 S O3 ga_12
9096 O1 S O4 ga_12
9097 O2 S O3 ga_12
9098 O2 S O4 ga_12
9099 O3 S O4 ga_12
9100 [ impropers ]
9101 ; ai aj ak al gromos type
9102 [ dihedrals ]
9103 ; ai aj ak al gromos type
9105 [ ZN2+ ]
9106 [ atoms ]
9107 ZN ZN2+ 2.00000 0
9108 [ bonds ]
9109 [ angles ]
9110 ; ai aj ak gromos type
9111 [ impropers ]
9112 ; ai aj ak al gromos type
9113 [ dihedrals ]
9114 ; ai aj ak al gromos type
9116 [ NA+ ]
9117 [ atoms ]
9118 NA NA+ 1.00000 0
9119 [ bonds ]
9120 [ angles ]
9121 ; ai aj ak gromos type
9122 [ impropers ]
9123 ; ai aj ak al gromos type
9124 [ dihedrals ]
9125 ; ai aj ak al gromos type
9127 [ CL- ]
9128 [ atoms ]
9129 CL CL- -1.00000 0
9130 [ bonds ]
9131 [ angles ]
9132 ; ai aj ak gromos type
9133 [ impropers ]
9134 ; ai aj ak al gromos type
9135 [ dihedrals ]
9136 ; ai aj ak al gromos type
9138 [ CA2+ ]
9139 [ atoms ]
9140 CA CA2+ 2.00000 0
9141 [ bonds ]
9142 [ angles ]
9143 ; ai aj ak gromos type
9144 [ impropers ]
9145 ; ai aj ak al gromos type
9146 [ dihedrals ]
9147 ; ai aj ak al gromos type
9149 [ MG2+ ]
9150 [ atoms ]
9151 MG MG2+ 2.00000 0
9152 [ bonds ]
9153 [ angles ]
9154 ; ai aj ak gromos type
9155 [ impropers ]
9156 ; ai aj ak al gromos type
9157 [ dihedrals ]
9158 ; ai aj ak al gromos type
9160 [ CU1+ ]
9161 [ atoms ]
9162 CU CU1+ 1.00000 0
9163 [ bonds ]
9164 [ angles ]
9165 ; ai aj ak gromos type
9166 [ impropers ]
9167 ; ai aj ak al gromos type
9168 [ dihedrals ]
9169 ; ai aj ak al gromos type
9171 [ CU2+ ]
9172 [ atoms ]
9173 CU CU2+ 2.00000 0
9174 [ bonds ]
9175 [ angles ]
9176 ; ai aj ak gromos type
9177 [ impropers ]
9178 ; ai aj ak al gromos type
9179 [ dihedrals ]
9180 ; ai aj ak al gromos type
9182 [ H2O ]
9183 [ atoms ]
9184 OW OW -0.82000 0
9185 HW1 H 0.41000 0
9186 HW2 H 0.41000 0
9187 [ bonds ]
9188 OW HW1 gb_35
9189 OW HW2 gb_35
9190 HW1 HW2 gb_41
9191 [ angles ]
9192 ; ai aj ak gromos type
9193 [ impropers ]
9194 ; ai aj ak al gromos type
9195 [ dihedrals ]
9196 ; ai aj ak al gromos type
9198 [ HOH ]
9199 [ atoms ]
9200 OW OW -0.82000 0
9201 HW1 H 0.41000 0
9202 HW2 H 0.41000 0
9203 [ bonds ]
9204 OW HW1 gb_35
9205 OW HW2 gb_35
9206 HW1 HW2 gb_41
9207 [ angles ]
9208 ; ai aj ak gromos type
9209 [ impropers ]
9210 ; ai aj ak al gromos type
9211 [ dihedrals ]
9212 ; ai aj ak al gromos type
9214 [ HO4 ]
9215 [ atoms ]
9216 OW OWT4 0.0 0
9217 HW1 H 0.52 0
9218 HW2 H 0.52 0
9219 HW3 IW -1.04 0
9220 [ bonds ]
9221 OW HW1 gb_35
9222 OW HW2 gb_35
9223 OW HW3 gb_35
9224 [ angles ]
9225 ; ai aj ak gromos type
9226 [ impropers ]
9227 ; ai aj ak al gromos type
9228 [ dihedrals ]
9229 ; ai aj ak al gromos type
9231 [ H2OE ]
9232 [ atoms ]
9233 OW OW -0.84760 0
9234 HW1 H 0.42380 0
9235 HW2 H 0.42380 0
9236 [ bonds ]
9237 OW HW1 gb_35
9238 OW HW2 gb_35
9239 HW1 HW2 gb_41
9240 [ angles ]
9241 ; ai aj ak gromos type
9242 [ impropers ]
9243 ; ai aj ak al gromos type
9244 [ dihedrals ]
9245 ; ai aj ak al gromos type
9247 [ CHCL3 ]
9248 [ atoms ]
9249 CChl CCHL 0.17900 0
9250 HChl HCHL 0.08200 0
9251 CLCh1 CLCHL -0.08700 0
9252 CLCh2 CLCHL -0.08700 0
9253 CLCh3 CLCHL -0.08700 0
9254 [ bonds ]
9255 CChl CLCh1 gb_37
9256 CChl CLCh2 gb_37
9257 CChl CLCh3 gb_37
9258 HChl CLCh1 gb_42
9259 HChl CLCh2 gb_42
9260 HChl CLCh3 gb_42
9261 CLCh1 CLCh2 gb_43
9262 CLCh1 CLCh3 gb_43
9263 CLCh2 CLCh3 gb_43
9264 [ angles ]
9265 ; ai aj ak gromos type
9266 [ impropers ]
9267 ; ai aj ak al gromos type
9268 [ dihedrals ]
9269 ; ai aj ak al gromos type
9271 [ DMSO ]
9272 [ atoms ]
9273 SDmso SDMSO 0.13900 0
9274 ODmso ODMSO -0.45900 0
9275 CDms1 CDMSO 0.16000 0
9276 CDms2 CDMSO 0.16000 0
9277 [ bonds ]
9278 SDmso ODmso gb_38
9279 SDmso CDms1 gb_39
9280 SDmso CDms2 gb_39
9281 ODmso CDms1 gb_44
9282 ODmso CDms2 gb_44
9283 CDms1 CDms2 gb_45
9284 [ angles ]
9285 ; ai aj ak gromos type
9286 [ impropers ]
9287 ; ai aj ak al gromos type
9288 [ dihedrals ]
9289 ; ai aj ak al gromos type
9291 [ CH3OH ]
9292 [ atoms ]
9293 Omet OMET -0.57400 0
9294 HMet H 0.39800 0
9295 CMet CMET 0.17600 0
9296 [ bonds ]
9297 Omet HMet gb_1
9298 Omet CMet gb_17
9299 HMet CMet gb_46
9300 [ angles ]
9301 ; ai aj ak gromos type
9302 [ impropers ]
9303 ; ai aj ak al gromos type
9304 [ dihedrals ]
9305 ; ai aj ak al gromos type
9307 [ CCL4 ]
9308 [ atoms ]
9309 CCl4 CCL4 0.00000 0
9310 CLCl1 CLCL4 0.00000 0
9311 CLCl2 CLCL4 0.00000 0
9312 CLCl3 CLCL4 0.00000 0
9313 CLCl4 CLCL4 0.00000 0
9314 [ bonds ]
9315 CCl4 CLCl1 gb_40
9316 CCl4 CLCl2 gb_40
9317 CCl4 CLCl3 gb_40
9318 CCl4 CLCl4 gb_40
9319 CLCl1 CLCl2 gb_47
9320 CLCl1 CLCl3 gb_47
9321 CLCl1 CLCl4 gb_47
9322 CLCl2 CLCl3 gb_47
9323 CLCl2 CLCl4 gb_47
9324 [ angles ]
9325 ; ai aj ak gromos type
9326 [ impropers ]
9327 ; ai aj ak al gromos type
9328 [ dihedrals ]
9329 ; ai aj ak al gromos type