| blob | 6e9547a8c4464e97134453fe05bbf299ceca8b3d |
1 [ bondedtypes ]
2 ; Column 1 : default bondtype
3 ; Column 2 : default angletype
4 ; Column 3 : default proper dihedraltype
5 ; Column 4 : default improper dihedraltype
6 ; Column 5 : This controls the generation of dihedrals from the bonding.
7 ; All possible dihedrals are generated automatically. A value of
8 ; 1 here means that all these are retained. A value of
9 ; 0 here requires generated dihedrals be removed if
10 ; * there are any dihedrals on the same central atoms
11 ; specified in the residue topology, or
12 ; * there are other identical generated dihedrals
13 ; sharing the same central atoms, or
14 ; * there are other generated dihedrals sharing the
15 ; same central bond that have fewer hydrogen atoms
16 ; Column 6 : number of neighbors to exclude from non-bonded interactions
17 ; Column 7 : 1 = generate 1,4 interactions between pairs of hydrogen atoms
18 ; 0 = do not generate such
19 ; Column 8 : 1 = remove proper dihedrals if found centered on the same
20 ; bond as an improper dihedral
21 ; 0 = do not generate such
22 ; bonds angles dihedrals impropers all_dihedrals nrexcl HH14 RemoveDih
23 2 2 1 2 0 3 0 1
25 [ ACE ]
26 [ atoms ]
27 CA CH3 0.000 0
28 C C 0.380 1
29 O O -0.380 1
30 [ bonds ]
31 C CA gb_26
32 C O gb_4
33 C +N gb_9
34 [ angles ]
35 CA C O ga_30
36 CA C +N ga_18
37 O C +N ga_32
38 [ impropers ]
39 C CA +N O gi_1
41 [ NH2 ]
42 [ atoms ]
43 N NT -0.83 0
44 H1 H 0.415 0
45 H2 H 0.415 0
46 [ bonds ]
47 N H1 gb_2
48 N H2 gb_2
49 -C N gb_8
50 [ angles ]
51 -O -C N ga_32
52 -CA -C N ga_18
53 -C N H1 ga_22
54 -C N H2 ga_22
55 H1 N H2 ga_23
56 [ dihedrals ]
57 -CA -C N H1 gd_4
58 [ impropers ]
59 -C -O N -CA gi_1
60 N H1 H2 -C gi_1
62 [ ALA ]
63 [ atoms ]
64 N N -0.28000 0
65 H H 0.28000 0
66 CA CH1 0.00000 1
67 CB CH3 0.00000 1
68 C C 0.380 2
69 O O -0.380 2
70 [ bonds ]
71 N H gb_2
72 N CA gb_20
73 CA C gb_26
74 C O gb_4
75 C +N gb_9
76 CA CB gb_26
77 [ angles ]
78 ; ai aj ak gromos type
79 -C N H ga_31
80 H N CA ga_17
81 -C N CA ga_30
82 N CA C ga_12
83 CA C +N ga_18
84 CA C O ga_29
85 O C +N ga_32
86 N CA CB ga_12
87 C CA CB ga_12
88 [ impropers ]
89 ; ai aj ak al gromos type
90 N -C CA H gi_1
91 C CA +N O gi_1
92 CA N C CB gi_2
93 [ dihedrals ]
94 ; ai aj ak al gromos type
95 -CA -C N CA gd_4
96 -C N CA C gd_19
97 N CA C +N gd_20
99 [ ARG ]
100 [ atoms ]
101 N N -0.28000 0
102 H H 0.28000 0
103 CA CH1 0.00000 1
104 CB CH2 0.00000 1
105 CG CH2 0.00000 1
106 CD CH2 0.09000 2
107 NE NE -0.11000 2
108 HE H 0.24000 2
109 CZ C 0.34000 2
110 NH1 NZ -0.26000 2
111 HH11 H 0.24000 2
112 HH12 H 0.24000 2
113 NH2 NZ -0.26000 2
114 HH21 H 0.24000 2
115 HH22 H 0.24000 2
116 C C 0.380 3
117 O O -0.380 3
118 [ bonds ]
119 N H gb_2
120 N CA gb_20
121 CA C gb_26
122 C O gb_4
123 C +N gb_9
124 CA CB gb_26
125 CB CG gb_26
126 CG CD gb_26
127 CD NE gb_20
128 NE HE gb_2
129 NE CZ gb_10
130 CZ NH1 gb_10
131 CZ NH2 gb_10
132 NH1 HH11 gb_2
133 NH1 HH12 gb_2
134 NH2 HH21 gb_2
135 NH2 HH22 gb_2
136 [ angles ]
137 ; ai aj ak gromos type
138 -C N H ga_31
139 H N CA ga_17
140 -C N CA ga_30
141 N CA C ga_12
142 CA C +N ga_18
143 CA C O ga_29
144 O C +N ga_32
145 N CA CB ga_12
146 C CA CB ga_12
147 CA CB CG ga_14
148 CB CG CD ga_14
149 CG CD NE ga_12
150 CD NE HE ga_19
151 HE NE CZ ga_22
152 CD NE CZ ga_32
153 NE CZ NH1 ga_27
154 NE CZ NH2 ga_27
155 NH1 CZ NH2 ga_27
156 CZ NH1 HH11 ga_22
157 CZ NH1 HH12 ga_22
158 HH11 NH1 HH12 ga_23
159 CZ NH2 HH21 ga_22
160 CZ NH2 HH22 ga_22
161 HH21 NH2 HH22 ga_23
162 [ impropers ]
163 ; ai aj ak al gromos type
164 N -C CA H gi_1
165 C CA +N O gi_1
166 CA N C CB gi_2
167 NE CD CZ HE gi_1
168 CZ NH1 NH2 NE gi_1
169 NH1 HH11 HH12 CZ gi_1
170 NH2 HH21 HH22 CZ gi_1
171 [ dihedrals ]
172 ; ai aj ak al gromos type
173 -CA -C N CA gd_4
174 -C N CA C gd_19
175 N CA C +N gd_20
176 N CA CB CG gd_17
177 CA CB CG CD gd_17
178 CB CG CD NE gd_17
179 CG CD NE CZ gd_19
180 CD NE CZ NH1 gd_4
181 NE CZ NH1 HH11 gd_4
182 NE CZ NH2 HH21 gd_4
184 [ ARGN ]
185 [ atoms ]
186 N N -0.28000 0
187 H H 0.28000 0
188 CA CH1 0.00000 1
189 CB CH2 0.00000 1
190 CG CH2 0.00000 2
191 CD CH2 0.00000 2
192 NE NE -0.28000 3
193 HE H 0.28000 3
194 CZ C 0.15000 4
195 NH1 NE -0.54800 4
196 HH1 H 0.39800 4
197 NH2 NZ -0.83000 5
198 HH21 H 0.41500 5
199 HH22 H 0.41500 5
200 C C 0.380 6
201 O O -0.380 6
202 [ bonds ]
203 N H gb_2
204 N CA gb_20
205 CA C gb_26
206 C O gb_4
207 C +N gb_9
208 CA CB gb_26
209 CB CG gb_26
210 CG CD gb_26
211 CD NE gb_20
212 NE HE gb_2
213 NE CZ gb_10
214 CZ NH1 gb_10
215 CZ NH2 gb_10
216 NH1 HH1 gb_2
217 NH2 HH21 gb_2
218 NH2 HH22 gb_2
219 [ angles ]
220 ; ai aj ak gromos type
221 -C N H ga_31
222 H N CA ga_17
223 -C N CA ga_30
224 N CA C ga_12
225 CA C +N ga_18
226 CA C O ga_29
227 O C +N ga_32
228 N CA CB ga_12
229 C CA CB ga_12
230 CA CB CG ga_14
231 CB CG CD ga_14
232 CG CD NE ga_12
233 CD NE HE ga_19
234 HE NE CZ ga_22
235 CD NE CZ ga_32
236 NE CZ NH1 ga_27
237 NE CZ NH2 ga_27
238 NH1 CZ NH2 ga_27
239 CZ NH1 HH1 ga_22
240 CZ NH2 HH21 ga_22
241 CZ NH2 HH22 ga_22
242 HH21 NH2 HH22 ga_23
243 [ impropers ]
244 ; ai aj ak al gromos type
245 N -C CA H gi_1
246 C CA +N O gi_1
247 CA N C CB gi_2
248 NE CD CZ HE gi_1
249 CZ NH1 NH2 NE gi_1
250 NH2 HH21 HH22 CZ gi_1
251 [ dihedrals ]
252 ; ai aj ak al gromos type
253 -CA -C N CA gd_4
254 -C N CA C gd_19
255 N CA C +N gd_20
256 N CA CB CG gd_17
257 CA CB CG CD gd_17
258 CB CG CD NE gd_17
259 CG CD NE CZ gd_19
260 CD NE CZ NH1 gd_4
261 NE CZ NH1 HH1 gd_4
262 NE CZ NH2 HH21 gd_4
264 [ ASN ]
265 [ atoms ]
266 N N -0.28000 0
267 H H 0.28000 0
268 CA CH1 0.00000 1
269 CB CH2 0.00000 1
270 CG C 0.38000 2
271 OD1 O -0.38000 2
272 ND2 NT -0.83000 3
273 HD21 H 0.41500 3
274 HD22 H 0.41500 3
275 C C 0.380 4
276 O O -0.380 4
277 [ bonds ]
278 N H gb_2
279 N CA gb_20
280 CA C gb_26
281 C O gb_4
282 C +N gb_9
283 CA CB gb_26
284 CB CG gb_26
285 CG OD1 gb_4
286 CG ND2 gb_8
287 ND2 HD21 gb_2
288 ND2 HD22 gb_2
289 [ angles ]
290 ; ai aj ak gromos type
291 -C N H ga_31
292 H N CA ga_17
293 -C N CA ga_30
294 N CA C ga_12
295 CA C +N ga_18
296 CA C O ga_29
297 O C +N ga_32
298 N CA CB ga_12
299 C CA CB ga_12
300 CA CB CG ga_14
301 CB CG OD1 ga_29
302 CB CG ND2 ga_18
303 OD1 CG ND2 ga_32
304 CG ND2 HD21 ga_22
305 CG ND2 HD22 ga_22
306 HD21 ND2 HD22 ga_23
307 [ impropers ]
308 ; ai aj ak al gromos type
309 N -C CA H gi_1
310 C CA +N O gi_1
311 CA N C CB gi_2
312 CG OD1 ND2 CB gi_1
313 ND2 HD21 HD22 CG gi_1
314 [ dihedrals ]
315 ; ai aj ak al gromos type
316 -CA -C N CA gd_4
317 -C N CA C gd_19
318 N CA C +N gd_20
319 N CA CB CG gd_17
320 CA CB CG ND2 gd_20
321 CB CG ND2 HD21 gd_4
323 [ ASN1 ]
324 [ atoms ]
325 N N -0.28000 0
326 H H 0.28000 0
327 CA CH1 0.00000 1
328 CB CH2 0.00000 1
329 CG C 0.38000 2
330 OD1 O -0.38000 2
331 ND2 NL -0.83000 3
332 HD21 H 0.41500 3
333 HD22 H 0.41500 3
334 C C 0.380 4
335 O O -0.380 4
336 [ bonds ]
337 N H gb_2
338 N CA gb_20
339 CA C gb_26
340 C O gb_4
341 C +N gb_9
342 CA CB gb_26
343 CB CG gb_26
344 CG OD1 gb_4
345 CG ND2 gb_8
346 ND2 HD21 gb_2
347 ND2 HD22 gb_2
348 [ angles ]
349 ; ai aj ak gromos type
350 -C N H ga_31
351 H N CA ga_17
352 -C N CA ga_30
353 N CA C ga_12
354 CA C +N ga_18
355 CA C O ga_29
356 O C +N ga_32
357 N CA CB ga_12
358 C CA CB ga_12
359 CA CB CG ga_14
360 CB CG OD1 ga_29
361 CB CG ND2 ga_18
362 OD1 CG ND2 ga_32
363 CG ND2 HD21 ga_22
364 CG ND2 HD22 ga_22
365 HD21 ND2 HD22 ga_23
366 [ impropers ]
367 ; ai aj ak al gromos type
368 N -C CA H gi_1
369 C CA +N O gi_1
370 CA N C CB gi_2
371 CG OD1 ND2 CB gi_1
372 ND2 HD21 HD22 CG gi_1
373 [ dihedrals ]
374 ; ai aj ak al gromos type
375 -CA -C N CA gd_4
376 -C N CA C gd_19
377 N CA C +N gd_20
378 N CA CB CG gd_17
379 CA CB CG ND2 gd_20
380 CB CG ND2 HD21 gd_4
382 [ ASP ]
383 [ atoms ]
384 N N -0.28000 0
385 H H 0.28000 0
386 CA CH1 0.00000 1
387 CB CH2 0.00000 1
388 CG C 0.27000 2
389 OD1 OM -0.63500 2
390 OD2 OM -0.63500 2
391 C C 0.380 3
392 O O -0.380 3
393 [ bonds ]
394 N H gb_2
395 N CA gb_20
396 CA C gb_26
397 C O gb_4
398 C +N gb_9
399 CA CB gb_26
400 CB CG gb_26
401 CG OD1 gb_5
402 CG OD2 gb_5
403 [ angles ]
404 ; ai aj ak gromos type
405 -C N H ga_31
406 H N CA ga_17
407 -C N CA ga_30
408 N CA C ga_12
409 CA C +N ga_18
410 CA C O ga_29
411 O C +N ga_32
412 N CA CB ga_12
413 C CA CB ga_12
414 CA CB CG ga_14
415 CB CG OD1 ga_21
416 CB CG OD2 ga_21
417 OD1 CG OD2 ga_37
418 [ impropers ]
419 ; ai aj ak al gromos type
420 N -C CA H gi_1
421 C CA +N O gi_1
422 CA N C CB gi_2
423 CG OD1 OD2 CB gi_1
424 [ dihedrals ]
425 ; ai aj ak al gromos type
426 -CA -C N CA gd_4
427 -C N CA C gd_19
428 N CA C +N gd_20
429 N CA CB CG gd_17
430 CA CB CG OD1 gd_20
432 [ ASPH ]
433 [ atoms ]
434 N N -0.28000 0
435 H H 0.28000 0
436 CA CH1 0.00000 1
437 CB CH2 0.00000 1
438 CG C 0.53000 2
439 OD1 O -0.38000 2
440 OD2 OA -0.54800 2
441 HD2 H 0.39800 2
442 C C 0.380 3
443 O O -0.380 3
444 [ bonds ]
445 N H gb_2
446 N CA gb_20
447 CA C gb_26
448 C O gb_4
449 C +N gb_9
450 CA CB gb_26
451 CB CG gb_26
452 CG OD1 gb_4
453 CG OD2 gb_12
454 OD2 HD2 gb_1
455 [ angles ]
456 ; ai aj ak gromos type
457 -C N H ga_31
458 H N CA ga_17
459 -C N CA ga_30
460 N CA C ga_12
461 CA C +N ga_18
462 CA C O ga_29
463 O C +N ga_32
464 N CA CB ga_12
465 C CA CB ga_12
466 CA CB CG ga_14
467 CB CG OD1 ga_29
468 CB CG OD2 ga_18
469 OD1 CG OD2 ga_32
470 CG OD2 HD2 ga_11
471 [ impropers ]
472 ; ai aj ak al gromos type
473 N -C CA H gi_1
474 C CA +N O gi_1
475 CA N C CB gi_2
476 CG OD1 OD2 CB gi_1
477 [ dihedrals ]
478 ; ai aj ak al gromos type
479 -CA -C N CA gd_4
480 -C N CA C gd_19
481 N CA C +N gd_20
482 N CA CB CG gd_17
483 CA CB CG OD2 gd_20
484 CB CG OD2 HD2 gd_3
486 [ CYS ]
487 [ atoms ]
488 N N -0.28000 0
489 H H 0.28000 0
490 CA CH1 0.00000 1
491 CB CH2 -0.10000 2
492 SG S -0.40000 2
493 C C 0.380 3
494 O O -0.380 3
495 [ bonds ]
496 N H gb_2
497 N CA gb_20
498 CA C gb_26
499 C O gb_4
500 C +N gb_9
501 CA CB gb_26
502 CB SG gb_30
503 [ angles ]
504 ; ai aj ak gromos type
505 -C N H ga_31
506 H N CA ga_17
507 -C N CA ga_30
508 N CA C ga_12
509 CA C +N ga_18
510 CA C O ga_29
511 O C +N ga_32
512 N CA CB ga_12
513 C CA CB ga_12
514 CA CB SG ga_15
515 [ impropers ]
516 ; ai aj ak al gromos type
517 N -C CA H gi_1
518 C CA +N O gi_1
519 CA N C CB gi_2
520 [ dihedrals ]
521 ; ai aj ak al gromos type
522 -CA -C N CA gd_4
523 -C N CA C gd_19
524 N CA C +N gd_20
525 N CA CB SG gd_17
527 [ CYSH ]
528 [ atoms ]
529 N N -0.28000 0
530 H H 0.28000 0
531 CA CH1 0.00000 1
532 CB CH2 0.00000 1
533 SG S -0.06400 2
534 HG H 0.06400 2
535 C C 0.380 3
536 O O -0.380 3
537 [ bonds ]
538 N H gb_2
539 N CA gb_20
540 CA C gb_26
541 C O gb_4
542 C +N gb_9
543 CA CB gb_26
544 CB SG gb_30
545 SG HG gb_7
546 [ angles ]
547 ; ai aj ak gromos type
548 -C N H ga_31
549 H N CA ga_17
550 -C N CA ga_30
551 N CA C ga_12
552 CA C +N ga_18
553 CA C O ga_29
554 O C +N ga_32
555 N CA CB ga_12
556 C CA CB ga_12
557 CA CB SG ga_15
558 CB SG HG ga_2
559 [ impropers ]
560 ; ai aj ak al gromos type
561 N -C CA H gi_1
562 C CA +N O gi_1
563 CA N C CB gi_2
564 [ dihedrals ]
565 ; ai aj ak al gromos type
566 -CA -C N CA gd_4
567 -C N CA C gd_19
568 N CA C +N gd_20
569 N CA CB SG gd_17
570 CA CB SG HG gd_13
572 [ CYS1 ]
573 [ atoms ]
574 N N -0.28000 0
575 H H 0.28000 0
576 CA CH1 0.00000 1
577 CB CH2 0.00000 1
578 SG S 0.00000 1
579 C C 0.380 2
580 O O -0.380 2
581 [ bonds ]
582 N H gb_2
583 N CA gb_20
584 CA C gb_26
585 C O gb_4
586 C +N gb_9
587 CA CB gb_26
588 CB SG gb_30
589 [ angles ]
590 ; ai aj ak gromos type
591 -C N H ga_31
592 H N CA ga_17
593 -C N CA ga_30
594 N CA C ga_12
595 CA C +N ga_18
596 CA C O ga_29
597 O C +N ga_32
598 N CA CB ga_12
599 C CA CB ga_12
600 CA CB SG ga_15
601 [ impropers ]
602 ; ai aj ak al gromos type
603 N -C CA H gi_1
604 C CA +N O gi_1
605 CA N C CB gi_2
606 [ dihedrals ]
607 ; ai aj ak al gromos type
608 -CA -C N CA gd_4
609 -C N CA C gd_19
610 N CA C +N gd_20
611 N CA CB SG gd_17
613 [ CYS2 ]
614 [ atoms ]
615 N N -0.28000 0
616 H H 0.28000 0
617 CA CH1 0.00000 1
618 CB CH2 0.00000 1
619 SG S 0.00000 1
620 C C 0.380 2
621 O O -0.380 2
622 [ bonds ]
623 N H gb_2
624 N CA gb_20
625 CA C gb_26
626 C O gb_4
627 C +N gb_9
628 CA CB gb_26
629 CB SG gb_30
630 [ angles ]
631 ; ai aj ak gromos type
632 -C N H ga_31
633 H N CA ga_17
634 -C N CA ga_30
635 N CA C ga_12
636 CA C +N ga_18
637 CA C O ga_29
638 O C +N ga_32
639 N CA CB ga_12
640 C CA CB ga_12
641 CA CB SG ga_15
642 [ impropers ]
643 ; ai aj ak al gromos type
644 N -C CA H gi_1
645 C CA +N O gi_1
646 CA N C CB gi_2
647 [ dihedrals ]
648 ; ai aj ak al gromos type
649 -CA -C N CA gd_4
650 -C N CA C gd_19
651 N CA C +N gd_20
652 N CA CB SG gd_17
654 [ GLN ]
655 [ atoms ]
656 N N -0.28000 0
657 H H 0.28000 0
658 CA CH1 0.00000 1
659 CB CH2 0.00000 1
660 CG CH2 0.00000 1
661 CD C 0.38000 2
662 OE1 O -0.38000 2
663 NE2 NT -0.83000 3
664 HE21 H 0.41500 3
665 HE22 H 0.41500 3
666 C C 0.380 4
667 O O -0.380 4
668 [ bonds ]
669 N H gb_2
670 N CA gb_20
671 CA C gb_26
672 C O gb_4
673 C +N gb_9
674 CA CB gb_26
675 CB CG gb_26
676 CG CD gb_26
677 CD OE1 gb_4
678 CD NE2 gb_8
679 NE2 HE21 gb_2
680 NE2 HE22 gb_2
681 [ angles ]
682 ; ai aj ak gromos type
683 -C N H ga_31
684 H N CA ga_17
685 -C N CA ga_30
686 N CA C ga_12
687 CA C +N ga_18
688 CA C O ga_29
689 O C +N ga_32
690 N CA CB ga_12
691 C CA CB ga_12
692 CA CB CG ga_14
693 CB CG CD ga_14
694 CG CD OE1 ga_29
695 CG CD NE2 ga_18
696 OE1 CD NE2 ga_32
697 CD NE2 HE21 ga_22
698 CD NE2 HE22 ga_22
699 HE21 NE2 HE22 ga_23
700 [ impropers ]
701 ; ai aj ak al gromos type
702 N -C CA H gi_1
703 C CA +N O gi_1
704 CA N C CB gi_2
705 CD OE1 NE2 CG gi_1
706 NE2 HE21 HE22 CD gi_1
707 [ dihedrals ]
708 ; ai aj ak al gromos type
709 -CA -C N CA gd_4
710 -C N CA C gd_19
711 N CA C +N gd_20
712 N CA CB CG gd_17
713 CA CB CG CD gd_17
714 CB CG CD NE2 gd_20
715 CG CD NE2 HE21 gd_4
717 [ GLU ]
718 [ atoms ]
719 N N -0.28000 0
720 H H 0.28000 0
721 CA CH1 0.00000 1
722 CB CH2 0.00000 1
723 CG CH2 0.00000 1
724 CD C 0.27000 2
725 OE1 OM -0.63500 2
726 OE2 OM -0.63500 2
727 C C 0.380 3
728 O O -0.380 3
729 [ bonds ]
730 N H gb_2
731 N CA gb_20
732 CA C gb_26
733 C O gb_4
734 C +N gb_9
735 CA CB gb_26
736 CB CG gb_26
737 CG CD gb_26
738 CD OE1 gb_5
739 CD OE2 gb_5
740 [ angles ]
741 ; ai aj ak gromos type
742 -C N H ga_31
743 H N CA ga_17
744 -C N CA ga_30
745 N CA C ga_12
746 CA C +N ga_18
747 CA C O ga_29
748 O C +N ga_32
749 N CA CB ga_12
750 C CA CB ga_12
751 CA CB CG ga_14
752 CB CG CD ga_14
753 CG CD OE1 ga_21
754 CG CD OE2 ga_21
755 OE1 CD OE2 ga_37
756 [ impropers ]
757 ; ai aj ak al gromos type
758 N -C CA H gi_1
759 C CA +N O gi_1
760 CA N C CB gi_2
761 CD OE1 OE2 CG gi_1
762 [ dihedrals ]
763 ; ai aj ak al gromos type
764 -CA -C N CA gd_4
765 -C N CA C gd_19
766 N CA C +N gd_20
767 N CA CB CG gd_17
768 CA CB CG CD gd_17
769 CB CG CD OE2 gd_20
771 [ GLUH ]
772 [ atoms ]
773 N N -0.28000 0
774 H H 0.28000 0
775 CA CH1 0.00000 1
776 CB CH2 0.00000 1
777 CG CH2 0.00000 1
778 CD C 0.53000 2
779 OE1 O -0.38000 2
780 OE2 OA -0.54800 2
781 HE2 H 0.39800 2
782 C C 0.380 3
783 O O -0.380 3
784 [ bonds ]
785 N H gb_2
786 N CA gb_20
787 CA C gb_26
788 C O gb_4
789 C +N gb_9
790 CA CB gb_26
791 CB CG gb_26
792 CG CD gb_26
793 CD OE1 gb_4
794 CD OE2 gb_12
795 OE2 HE2 gb_1
796 [ angles ]
797 ; ai aj ak gromos type
798 -C N H ga_31
799 H N CA ga_17
800 -C N CA ga_30
801 N CA C ga_12
802 CA C +N ga_18
803 CA C O ga_29
804 O C +N ga_32
805 N CA CB ga_12
806 C CA CB ga_12
807 CA CB CG ga_14
808 CB CG CD ga_14
809 CG CD OE1 ga_29
810 CG CD OE2 ga_18
811 OE1 CD OE2 ga_32
812 CD OE2 HE2 ga_11
813 [ impropers ]
814 ; ai aj ak al gromos type
815 N -C CA H gi_1
816 C CA +N O gi_1
817 CA N C CB gi_2
818 CD OE1 OE2 CG gi_1
819 [ dihedrals ]
820 ; ai aj ak al gromos type
821 -CA -C N CA gd_4
822 -C N CA C gd_19
823 N CA C +N gd_20
824 N CA CB CG gd_17
825 CA CB CG CD gd_17
826 CB CG CD OE2 gd_20
827 CG CD OE2 HE2 gd_3
829 [ GLY ]
830 [ atoms ]
831 N N -0.28000 0
832 H H 0.28000 0
833 CA CH2 0.00000 1
834 C C 0.380 2
835 O O -0.380 2
836 [ bonds ]
837 N H gb_2
838 N CA gb_20
839 CA C gb_26
840 C O gb_4
841 C +N gb_9
842 [ angles ]
843 ; ai aj ak gromos type
844 -C N H ga_31
845 H N CA ga_17
846 -C N CA ga_30
847 N CA C ga_12
848 CA C +N ga_18
849 CA C O ga_29
850 O C +N ga_32
851 [ impropers ]
852 ; ai aj ak al gromos type
853 N -C CA H gi_1
854 C CA +N O gi_1
855 [ dihedrals ]
856 ; ai aj ak al gromos type
857 -CA -C N CA gd_4
858 -C N CA C gd_19
859 N CA C +N gd_20
861 [ HISA ]
862 [ atoms ]
863 N N -0.28000 0
864 H H 0.28000 0
865 CA CH1 0.00000 1
866 CB CH2 0.00000 1
867 CG C 0.00000 2
868 ND1 NR 0.00000 2
869 HD1 H 0.19000 2
870 CD2 CR1 0.13000 2
871 CE1 CR1 0.26000 2
872 NE2 NR -0.58000 2
873 C C 0.380 3
874 O O -0.380 3
875 [ bonds ]
876 N H gb_2
877 N CA gb_20
878 CA C gb_26
879 C O gb_4
880 C +N gb_9
881 CA CB gb_26
882 CB CG gb_26
883 CG ND1 gb_9
884 CG CD2 gb_9
885 ND1 HD1 gb_2
886 ND1 CE1 gb_9
887 CD2 NE2 gb_9
888 CE1 NE2 gb_9
889 [ exclusions ]
890 ; ai aj
891 CB HD1
892 CB CE1
893 CB NE2
894 HD1 CD2
895 HD1 NE2
896 [ angles ]
897 ; ai aj ak gromos type
898 -C N H ga_31
899 H N CA ga_17
900 -C N CA ga_30
901 N CA C ga_12
902 CA C +N ga_18
903 CA C O ga_29
904 O C +N ga_32
905 N CA CB ga_12
906 C CA CB ga_12
907 CA CB CG ga_14
908 CB CG ND1 ga_36
909 CB CG CD2 ga_36
910 ND1 CG CD2 ga_6
911 CG ND1 HD1 ga_35
912 CG ND1 CE1 ga_6
913 HD1 ND1 CE1 ga_35
914 CG CD2 NE2 ga_6
915 ND1 CE1 NE2 ga_6
916 CD2 NE2 CE1 ga_6
917 [ impropers ]
918 ; ai aj ak al gromos type
919 N -C CA H gi_1
920 C CA +N O gi_1
921 CA N C CB gi_2
922 CG ND1 CD2 CB gi_1
923 CD2 CG ND1 CE1 gi_1
924 ND1 CG CD2 NE2 gi_1
925 CG ND1 CE1 NE2 gi_1
926 CG CD2 NE2 CE1 gi_1
927 CD2 NE2 CE1 ND1 gi_1
928 ND1 CG CE1 HD1 gi_1
929 [ dihedrals ]
930 ; ai aj ak al gromos type
931 -CA -C N CA gd_4
932 -C N CA C gd_19
933 N CA C +N gd_20
934 N CA CB CG gd_17
935 CA CB CG ND1 gd_20
937 [ HISB ]
938 [ atoms ]
939 N N -0.28000 0
940 H H 0.28000 0
941 CA CH1 0.00000 1
942 CB CH2 0.00000 1
943 CG C 0.13000 2
944 ND1 NR -0.58000 2
945 CD2 CR1 0.00000 2
946 CE1 CR1 0.26000 2
947 NE2 NR 0.00000 2
948 HE2 H 0.19000 2
949 C C 0.380 3
950 O O -0.380 3
951 [ bonds ]
952 N H gb_2
953 N CA gb_20
954 CA C gb_26
955 C O gb_4
956 C +N gb_9
957 CA CB gb_26
958 CB CG gb_26
959 CG ND1 gb_9
960 CG CD2 gb_9
961 ND1 CE1 gb_9
962 CD2 NE2 gb_9
963 CE1 NE2 gb_9
964 NE2 HE2 gb_2
965 [ exclusions ]
966 ; ai aj
967 CB CE1
968 CB NE2
969 CG HE2
970 ND1 HE2
971 [ angles ]
972 ; ai aj ak gromos type
973 -C N H ga_31
974 H N CA ga_17
975 -C N CA ga_30
976 N CA C ga_12
977 CA C +N ga_18
978 CA C O ga_29
979 O C +N ga_32
980 N CA CB ga_12
981 C CA CB ga_12
982 CA CB CG ga_14
983 CB CG ND1 ga_36
984 CB CG CD2 ga_36
985 ND1 CG CD2 ga_6
986 CG ND1 CE1 ga_6
987 CG CD2 NE2 ga_6
988 ND1 CE1 NE2 ga_6
989 CD2 NE2 CE1 ga_6
990 CD2 NE2 HE2 ga_35
991 CE1 NE2 HE2 ga_35
992 [ impropers ]
993 ; ai aj ak al gromos type
994 N -C CA H gi_1
995 C CA +N O gi_1
996 CA N C CB gi_2
997 CG ND1 CD2 CB gi_1
998 CD2 CG ND1 CE1 gi_1
999 ND1 CG CD2 NE2 gi_1
1000 CG ND1 CE1 NE2 gi_1
1001 CG CD2 NE2 CE1 gi_1
1002 CD2 NE2 CE1 ND1 gi_1
1003 NE2 CD2 CE1 HE2 gi_1
1004 [ dihedrals ]
1005 ; ai aj ak al gromos type
1006 -CA -C N CA gd_4
1007 -C N CA C gd_19
1008 N CA C +N gd_20
1009 N CA CB CG gd_17
1010 CA CB CG ND1 gd_20
1012 [ HISH ]
1013 [ atoms ]
1014 N N -0.28000 0
1015 H H 0.28000 0
1016 CA CH1 0.00000 1
1017 CB CH2 0.00000 1
1018 CG C -0.05000 2
1019 ND1 NR 0.38000 2
1020 HD1 H 0.30000 2
1021 CD2 CR1 0.00000 2
1022 CE1 CR1 -0.24000 2
1023 NE2 NR 0.31000 2
1024 HE2 H 0.30000 2
1025 C C 0.380 3
1026 O O -0.380 3
1027 [ bonds ]
1028 N H gb_2
1029 N CA gb_20
1030 CA C gb_26
1031 C O gb_4
1032 C +N gb_9
1033 CA CB gb_26
1034 CB CG gb_26
1035 CG ND1 gb_9
1036 CG CD2 gb_9
1037 ND1 HD1 gb_2
1038 ND1 CE1 gb_9
1039 CD2 NE2 gb_9
1040 CE1 NE2 gb_9
1041 NE2 HE2 gb_2
1042 [ exclusions ]
1043 ; ai aj
1044 CB HD1
1045 CB CE1
1046 CB NE2
1047 CG HE2
1048 ND1 HE2
1049 HD1 CD2
1050 HD1 NE2
1051 [ angles ]
1052 ; ai aj ak gromos type
1053 -C N H ga_31
1054 H N CA ga_17
1055 -C N CA ga_30
1056 N CA C ga_12
1057 CA C +N ga_18
1058 CA C O ga_29
1059 O C +N ga_32
1060 N CA CB ga_12
1061 C CA CB ga_12
1062 CA CB CG ga_14
1063 CB CG ND1 ga_36
1064 CB CG CD2 ga_36
1065 ND1 CG CD2 ga_6
1066 CG ND1 HD1 ga_35
1067 CG ND1 CE1 ga_6
1068 HD1 ND1 CE1 ga_35
1069 CG CD2 NE2 ga_6
1070 ND1 CE1 NE2 ga_6
1071 CD2 NE2 CE1 ga_6
1072 CD2 NE2 HE2 ga_35
1073 CE1 NE2 HE2 ga_35
1074 [ impropers ]
1075 ; ai aj ak al gromos type
1076 N -C CA H gi_1
1077 C CA +N O gi_1
1078 CA N C CB gi_2
1079 CG ND1 CD2 CB gi_1
1080 CD2 CG ND1 CE1 gi_1
1081 ND1 CG CD2 NE2 gi_1
1082 CG ND1 CE1 NE2 gi_1
1083 CG CD2 NE2 CE1 gi_1
1084 CD2 NE2 CE1 ND1 gi_1
1085 ND1 CG CE1 HD1 gi_1
1086 NE2 CD2 CE1 HE2 gi_1
1087 [ dihedrals ]
1088 ; ai aj ak al gromos type
1089 -CA -C N CA gd_4
1090 -C N CA C gd_19
1091 N CA C +N gd_20
1092 N CA CB CG gd_17
1093 CA CB CG ND1 gd_20
1095 [ HIS1 ]
1096 [ atoms ]
1097 N N -0.28000 0
1098 H H 0.28000 0
1099 CA CH1 0.00000 1
1100 CB CH2 0.00000 1
1101 CG C 0.00000 2
1102 ND1 NR 0.00000 2
1103 HD1 H 0.19000 2
1104 CD2 CR1 0.13000 2
1105 CE1 CR1 0.26000 2
1106 NE2 NR -0.58000 2
1107 C C 0.380 3
1108 O O -0.380 3
1109 [ bonds ]
1110 N H gb_2
1111 N CA gb_20
1112 CA C gb_26
1113 C O gb_4
1114 C +N gb_9
1115 CA CB gb_26
1116 CB CG gb_26
1117 CG ND1 gb_9
1118 CG CD2 gb_9
1119 ND1 HD1 gb_2
1120 ND1 CE1 gb_9
1121 CD2 NE2 gb_9
1122 CE1 NE2 gb_9
1123 [ exclusions ]
1124 ; ai aj
1125 CB HD1
1126 CB CE1
1127 CB NE2
1128 HD1 CD2
1129 HD1 NE2
1130 [ angles ]
1131 ; ai aj ak gromos type
1132 -C N H ga_31
1133 H N CA ga_17
1134 -C N CA ga_30
1135 N CA C ga_12
1136 CA C +N ga_18
1137 CA C O ga_29
1138 O C +N ga_32
1139 N CA CB ga_12
1140 C CA CB ga_12
1141 CA CB CG ga_14
1142 CB CG ND1 ga_36
1143 CB CG CD2 ga_36
1144 ND1 CG CD2 ga_6
1145 CG ND1 HD1 ga_35
1146 CG ND1 CE1 ga_6
1147 HD1 ND1 CE1 ga_35
1148 CG CD2 NE2 ga_6
1149 ND1 CE1 NE2 ga_6
1150 CD2 NE2 CE1 ga_6
1151 CD2 NE2 -C ga_33
1152 CE1 NE2 -C ga_33
1153 NE2 -C -CA ga_16
1154 [ impropers ]
1155 ; ai aj ak al gromos type
1156 N -C CA H gi_1
1157 C CA +N O gi_1
1158 CA N C CB gi_2
1159 CG ND1 CD2 CB gi_1
1160 CD2 CG ND1 CE1 gi_1
1161 ND1 CG CD2 NE2 gi_1
1162 CG ND1 CE1 NE2 gi_1
1163 CG CD2 NE2 CE1 gi_1
1164 CD2 NE2 CE1 ND1 gi_1
1165 ND1 CG CE1 HD1 gi_1
1166 [ dihedrals ]
1167 ; ai aj ak al gromos type
1168 -CA -C N CA gd_4
1169 -C N CA C gd_19
1170 N CA C +N gd_20
1171 N CA CB CG gd_17
1172 CA CB CG ND1 gd_20
1173 CD2 NE2 -C -CA gd_18
1175 [ HYP ]
1176 [ atoms ]
1177 N N 0.00000 0
1178 CA CH1 0.00000 1
1179 CB CH2 0.00000 1
1180 CG CH1 0.15000 2
1181 OD1 OA -0.54800 2
1182 HD1 H 0.39800 2
1183 CD2 CH2 0.00000 3
1184 C C 0.380 4
1185 O O -0.380 4
1186 [ bonds ]
1187 N CA gb_20
1188 CA C gb_26
1189 C O gb_4
1190 C +N gb_9
1191 CA CB gb_26
1192 CB CG gb_26
1193 CG OD1 gb_17
1194 OD1 HD1 gb_1
1195 CG CD2 gb_26
1196 CD2 N gb_20
1197 [ angles ]
1198 ; ai aj ak gromos type
1199 -C N CA ga_30
1200 N CA C ga_12
1201 CA C +N ga_18
1202 CA C O ga_29
1203 O C +N ga_32
1204 N CA CB ga_12
1205 C CA CB ga_12
1206 CA CB CG ga_12
1207 CB CG OD1 ga_12
1208 CB CG CD2 ga_12
1209 CG OD1 HD1 ga_11
1210 OD1 CG CD2 ga_12
1211 CG CD2 N ga_12
1212 CD2 N CA ga_20
1213 -C N CD2 ga_30
1214 [ impropers ]
1215 ; ai aj ak al gromos type
1216 N -C CA CD2 gi_1
1217 C CA +N O gi_1
1218 CA N C CB gi_2
1219 CG CD2 CB OD1 gi_2
1220 [ dihedrals ]
1221 ; ai aj ak al gromos type
1222 -CA -C N CA gd_4
1223 -C N CA C gd_19
1224 N CA C +N gd_20
1225 N CA CB CG gd_17
1226 CA CB CG CD2 gd_17
1227 CB CG CD2 N gd_17
1228 CG CD2 N CA gd_19
1229 CB CG OD1 HD1 gd_12
1231 [ ILE ]
1232 [ atoms ]
1233 N N -0.28000 0
1234 H H 0.28000 0
1235 CA CH1 0.00000 1
1236 CB CH1 0.00000 2
1237 CG1 CH2 0.00000 2
1238 CG2 CH3 0.00000 2
1239 CD CH3 0.00000 2
1240 C C 0.380 3
1241 O O -0.380 3
1242 [ bonds ]
1243 N H gb_2
1244 N CA gb_20
1245 CA C gb_26
1246 C O gb_4
1247 C +N gb_9
1248 CA CB gb_26
1249 CB CG1 gb_26
1250 CB CG2 gb_26
1251 CG1 CD gb_26
1252 [ angles ]
1253 ; ai aj ak gromos type
1254 -C N H ga_31
1255 H N CA ga_17
1256 -C N CA ga_30
1257 N CA C ga_12
1258 CA C +N ga_18
1259 CA C O ga_29
1260 O C +N ga_32
1261 N CA CB ga_12
1262 C CA CB ga_12
1263 CA CB CG1 ga_14
1264 CA CB CG2 ga_14
1265 CG1 CB CG2 ga_14
1266 CB CG1 CD ga_14
1267 [ impropers ]
1268 ; ai aj ak al gromos type
1269 N -C CA H gi_1
1270 C CA +N O gi_1
1271 CA N C CB gi_2
1272 CB CG1 CG2 CA gi_2
1273 [ dihedrals ]
1274 ; ai aj ak al gromos type
1275 -CA -C N CA gd_4
1276 -C N CA C gd_19
1277 N CA C +N gd_20
1278 N CA CB CG1 gd_17
1279 CA CB CG1 CD gd_17
1281 [ LEU ]
1282 [ atoms ]
1283 N N -0.28000 0
1284 H H 0.28000 0
1285 CA CH1 0.00000 1
1286 CB CH2 0.00000 1
1287 CG CH1 0.00000 2
1288 CD1 CH3 0.00000 2
1289 CD2 CH3 0.00000 2
1290 C C 0.380 3
1291 O O -0.380 3
1292 [ bonds ]
1293 N H gb_2
1294 N CA gb_20
1295 CA C gb_26
1296 C O gb_4
1297 C +N gb_9
1298 CA CB gb_26
1299 CB CG gb_26
1300 CG CD1 gb_26
1301 CG CD2 gb_26
1302 [ angles ]
1303 ; ai aj ak gromos type
1304 -C N H ga_31
1305 H N CA ga_17
1306 -C N CA ga_30
1307 N CA C ga_12
1308 CA C +N ga_18
1309 CA C O ga_29
1310 O C +N ga_32
1311 N CA CB ga_12
1312 C CA CB ga_12
1313 CA CB CG ga_14
1314 CB CG CD1 ga_14
1315 CB CG CD2 ga_14
1316 CD1 CG CD2 ga_14
1317 [ impropers ]
1318 ; ai aj ak al gromos type
1319 N -C CA H gi_1
1320 C CA +N O gi_1
1321 CA N C CB gi_2
1322 CG CD2 CD1 CB gi_2
1323 [ dihedrals ]
1324 ; ai aj ak al gromos type
1325 -CA -C N CA gd_4
1326 -C N CA C gd_19
1327 N CA C +N gd_20
1328 N CA CB CG gd_17
1329 CA CB CG CD1 gd_17
1331 [ LYS ]
1332 [ atoms ]
1333 N N -0.28000 0
1334 H H 0.28000 0
1335 CA CH1 0.00000 1
1336 CB CH2 0.00000 1
1337 CG CH2 0.00000 2
1338 CD CH2 0.00000 2
1339 CE CH2 0.00000 3
1340 NZ NT -0.83000 3
1341 HZ1 H 0.41500 3
1342 HZ2 H 0.41500 3
1343 C C 0.380 4
1344 O O -0.380 4
1345 [ bonds ]
1346 N H gb_2
1347 N CA gb_20
1348 CA C gb_26
1349 C O gb_4
1350 C +N gb_9
1351 CA CB gb_26
1352 CB CG gb_26
1353 CG CD gb_26
1354 CD CE gb_26
1355 CE NZ gb_20
1356 NZ HZ1 gb_2
1357 NZ HZ2 gb_2
1358 [ angles ]
1359 ; ai aj ak gromos type
1360 -C N H ga_31
1361 H N CA ga_17
1362 -C N CA ga_30
1363 N CA C ga_12
1364 CA C +N ga_18
1365 CA C O ga_29
1366 O C +N ga_32
1367 N CA CB ga_12
1368 C CA CB ga_12
1369 CA CB CG ga_14
1370 CB CG CD ga_14
1371 CG CD CE ga_14
1372 CD CE NZ ga_14
1373 CE NZ HZ1 ga_10
1374 CE NZ HZ2 ga_10
1375 HZ1 NZ HZ2 ga_9
1376 [ impropers ]
1377 ; ai aj ak al gromos type
1378 N -C CA H gi_1
1379 C CA +N O gi_1
1380 CA N C CB gi_2
1381 [ dihedrals ]
1382 ; ai aj ak al gromos type
1383 -CA -C N CA gd_4
1384 -C N CA C gd_19
1385 N CA C +N gd_20
1386 N CA CB CG gd_17
1387 CA CB CG CD gd_17
1388 CB CG CD CE gd_17
1389 CG CD CE NZ gd_17
1390 CD CE NZ HZ1 gd_14
1392 [ LYSH ]
1393 [ atoms ]
1394 N N -0.28000 0
1395 H H 0.28000 0
1396 CA CH1 0.00000 1
1397 CB CH2 0.00000 1
1398 CG CH2 0.00000 2
1399 CD CH2 0.00000 2
1400 CE CH2 0.12700 3
1401 NZ NL 0.12900 3
1402 HZ1 H 0.24800 3
1403 HZ2 H 0.24800 3
1404 HZ3 H 0.24800 3
1405 C C 0.380 4
1406 O O -0.380 4
1407 [ bonds ]
1408 N H gb_2
1409 N CA gb_20
1410 CA C gb_26
1411 C O gb_4
1412 C +N gb_9
1413 CA CB gb_26
1414 CB CG gb_26
1415 CG CD gb_26
1416 CD CE gb_26
1417 CE NZ gb_20
1418 NZ HZ1 gb_2
1419 NZ HZ2 gb_2
1420 NZ HZ3 gb_2
1421 [ angles ]
1422 ; ai aj ak gromos type
1423 -C N H ga_31
1424 H N CA ga_17
1425 -C N CA ga_30
1426 N CA C ga_12
1427 CA C +N ga_18
1428 CA C O ga_29
1429 O C +N ga_32
1430 N CA CB ga_12
1431 C CA CB ga_12
1432 CA CB CG ga_14
1433 CB CG CD ga_14
1434 CG CD CE ga_14
1435 CD CE NZ ga_14
1436 CE NZ HZ1 ga_10
1437 CE NZ HZ2 ga_10
1438 CE NZ HZ3 ga_10
1439 HZ1 NZ HZ2 ga_9
1440 HZ1 NZ HZ3 ga_9
1441 HZ2 NZ HZ3 ga_9
1442 [ impropers ]
1443 ; ai aj ak al gromos type
1444 N -C CA H gi_1
1445 C CA +N O gi_1
1446 CA N C CB gi_2
1447 [ dihedrals ]
1448 ; ai aj ak al gromos type
1449 -CA -C N CA gd_4
1450 -C N CA C gd_19
1451 N CA C +N gd_20
1452 N CA CB CG gd_17
1453 CA CB CG CD gd_17
1454 CB CG CD CE gd_17
1455 CG CD CE NZ gd_17
1456 CD CE NZ HZ1 gd_14
1458 [ MET ]
1459 [ atoms ]
1460 N N -0.28000 0
1461 H H 0.28000 0
1462 CA CH1 0.00000 1
1463 CB CH2 0.00000 1
1464 CG CH2 0.00000 1
1465 SD S 0.00000 2
1466 CE CH3 0.00000 2
1467 C C 0.380 3
1468 O O -0.380 3
1469 [ bonds ]
1470 N H gb_2
1471 N CA gb_20
1472 CA C gb_26
1473 C O gb_4
1474 C +N gb_9
1475 CA CB gb_26
1476 CB CG gb_26
1477 CG SD gb_30
1478 SD CE gb_29
1479 [ angles ]
1480 ; ai aj ak gromos type
1481 -C N H ga_31
1482 H N CA ga_17
1483 -C N CA ga_30
1484 N CA C ga_12
1485 CA C +N ga_18
1486 CA C O ga_29
1487 O C +N ga_32
1488 N CA CB ga_12
1489 C CA CB ga_12
1490 CA CB CG ga_14
1491 CB CG SD ga_15
1492 CG SD CE ga_3
1493 [ impropers ]
1494 ; ai aj ak al gromos type
1495 N -C CA H gi_1
1496 C CA +N O gi_1
1497 CA N C CB gi_2
1498 [ dihedrals ]
1499 ; ai aj ak al gromos type
1500 -CA -C N CA gd_4
1501 -C N CA C gd_19
1502 N CA C +N gd_20
1503 N CA CB CG gd_17
1504 CA CB CG SD gd_17
1505 CB CG SD CE gd_13
1507 [ PHE ]
1508 [ atoms ]
1509 N N -0.28000 0
1510 H H 0.28000 0
1511 CA CH1 0.00000 1
1512 CB CH2 0.00000 1
1513 CG C 0.00000 1
1514 CD1 C -0.10000 2
1515 HD1 HC 0.10000 2
1516 CD2 C -0.10000 3
1517 HD2 HC 0.10000 3
1518 CE1 C -0.10000 4
1519 HE1 HC 0.10000 4
1520 CE2 C -0.10000 5
1521 HE2 HC 0.10000 5
1522 CZ C -0.10000 6
1523 HZ HC 0.10000 6
1524 C C 0.380 7
1525 O O -0.380 7
1526 [ bonds ]
1527 N H gb_2
1528 N CA gb_20
1529 CA C gb_26
1530 C O gb_4
1531 C +N gb_9
1532 CA CB gb_26
1533 CB CG gb_26
1534 CG CD1 gb_15
1535 CG CD2 gb_15
1536 CD1 HD1 gb_3
1537 CD1 CE1 gb_15
1538 CD2 HD2 gb_3
1539 CD2 CE2 gb_15
1540 CE1 HE1 gb_3
1541 CE1 CZ gb_15
1542 CE2 HE2 gb_3
1543 CE2 CZ gb_15
1544 CZ HZ gb_3
1545 [ exclusions ]
1546 ; ai aj
1547 CB HD1
1548 CB HD2
1549 CB CE1
1550 CB CE2
1551 CG HE1
1552 CG HE2
1553 CG CZ
1554 CD1 HD2
1555 CD1 CE2
1556 CD1 HZ
1557 HD1 CD2
1558 HD1 HE1
1559 HD1 CZ
1560 CD2 CE1
1561 CD2 HZ
1562 HD2 HE2
1563 HD2 CZ
1564 CE1 HE2
1565 HE1 CE2
1566 HE1 HZ
1567 HE2 HZ
1568 [ angles ]
1569 ; ai aj ak gromos type
1570 -C N H ga_31
1571 H N CA ga_17
1572 -C N CA ga_30
1573 N CA C ga_12
1574 CA C +N ga_18
1575 CA C O ga_29
1576 O C +N ga_32
1577 N CA CB ga_12
1578 C CA CB ga_12
1579 CA CB CG ga_14
1580 CB CG CD1 ga_26
1581 CB CG CD2 ga_26
1582 CD1 CG CD2 ga_26
1583 CG CD1 HD1 ga_24
1584 HD1 CD1 CE1 ga_24
1585 CG CD1 CE1 ga_26
1586 CG CD2 HD2 ga_24
1587 HD2 CD2 CE2 ga_24
1588 CG CD2 CE2 ga_26
1589 CD1 CE1 HE1 ga_24
1590 HE1 CE1 CZ ga_24
1591 CD1 CE1 CZ ga_26
1592 CD2 CE2 HE2 ga_24
1593 HE2 CE2 CZ ga_24
1594 CD2 CE2 CZ ga_26
1595 CE1 CZ HZ ga_24
1596 CE2 CZ HZ ga_24
1597 CE1 CZ CE2 ga_26
1598 [ impropers ]
1599 ; ai aj ak al gromos type
1600 N -C CA H gi_1
1601 C CA +N O gi_1
1602 CA N C CB gi_2
1603 CG CD1 CD2 CB gi_1
1604 CD2 CG CD1 CE1 gi_1
1605 CD1 CG CD2 CE2 gi_1
1606 CG CD1 CE1 CZ gi_1
1607 CG CD2 CE2 CZ gi_1
1608 CD1 CE1 CZ CE2 gi_1
1609 CD2 CE2 CZ CE1 gi_1
1610 CD1 CG CE1 HD1 gi_1
1611 CD2 CG CE2 HD2 gi_1
1612 CE1 CZ CD1 HE1 gi_1
1613 CE2 CZ CD2 HE2 gi_1
1614 CZ CE1 CE2 HZ gi_1
1615 [ dihedrals ]
1616 ; ai aj ak al gromos type
1617 -CA -C N CA gd_4
1618 -C N CA C gd_19
1619 N CA C +N gd_20
1620 N CA CB CG gd_17
1621 CA CB CG CD1 gd_20
1623 [ PRO ]
1624 [ atoms ]
1625 N N 0.00000 0
1626 CA CH1 0.00000 1
1627 CB CH2 0.00000 1
1628 CG CH2 0.00000 2
1629 CD CH2 0.00000 2
1630 C C 0.380 3
1631 O O -0.380 3
1632 [ bonds ]
1633 N CA gb_20
1634 CA C gb_26
1635 C O gb_4
1636 C +N gb_9
1637 CA CB gb_26
1638 CB CG gb_26
1639 CG CD gb_26
1640 CD N gb_20
1641 [ angles ]
1642 ; ai aj ak gromos type
1643 -C N CA ga_30
1644 N CA C ga_12
1645 CA C +N ga_18
1646 CA C O ga_29
1647 O C +N ga_32
1648 N CA CB ga_12
1649 C CA CB ga_12
1650 CA CB CG ga_12
1651 CB CG CD ga_12
1652 CG CD N ga_12
1653 CD N CA ga_20
1654 -C N CD ga_30
1655 [ impropers ]
1656 ; ai aj ak al gromos type
1657 N -C CA CD gi_1
1658 C CA +N O gi_1
1659 CA N C CB gi_2
1660 [ dihedrals ]
1661 ; ai aj ak al gromos type
1662 -CA -C N CA gd_4
1663 -C N CA C gd_19
1664 N CA C +N gd_20
1665 N CA CB CG gd_17
1666 CA CB CG CD gd_17
1667 CB CG CD N gd_17
1668 CG CD N CA gd_19
1670 [ SER ]
1671 [ atoms ]
1672 N N -0.28000 0
1673 H H 0.28000 0
1674 CA CH1 0.00000 1
1675 CB CH2 0.15000 2
1676 OG OA -0.54800 2
1677 HG H 0.39800 2
1678 C C 0.380 3
1679 O O -0.380 3
1680 [ bonds ]
1681 N H gb_2
1682 N CA gb_20
1683 CA C gb_26
1684 C O gb_4
1685 C +N gb_9
1686 CA CB gb_26
1687 CB OG gb_17
1688 OG HG gb_1
1689 [ angles ]
1690 ; ai aj ak gromos type
1691 -C N H ga_31
1692 H N CA ga_17
1693 -C N CA ga_30
1694 N CA C ga_12
1695 CA C +N ga_18
1696 CA C O ga_29
1697 O C +N ga_32
1698 N CA CB ga_12
1699 C CA CB ga_12
1700 CA CB OG ga_12
1701 CB OG HG ga_11
1702 [ impropers ]
1703 ; ai aj ak al gromos type
1704 N -C CA H gi_1
1705 C CA +N O gi_1
1706 CA N C CB gi_2
1707 [ dihedrals ]
1708 ; ai aj ak al gromos type
1709 -CA -C N CA gd_4
1710 -C N CA C gd_19
1711 N CA C +N gd_20
1712 N CA CB OG gd_17
1713 CA CB OG HG gd_12
1715 [ THR ]
1716 [ atoms ]
1717 N N -0.28000 0
1718 H H 0.28000 0
1719 CA CH1 0.00000 1
1720 CB CH1 0.15000 2
1721 OG1 OA -0.54800 2
1722 HG1 H 0.39800 2
1723 CG2 CH3 0.00000 3
1724 C C 0.380 4
1725 O O -0.380 4
1726 [ bonds ]
1727 N H gb_2
1728 N CA gb_20
1729 CA C gb_26
1730 C O gb_4
1731 C +N gb_9
1732 CA CB gb_26
1733 CB OG1 gb_17
1734 CB CG2 gb_26
1735 OG1 HG1 gb_1
1736 [ angles ]
1737 ; ai aj ak gromos type
1738 -C N H ga_31
1739 H N CA ga_17
1740 -C N CA ga_30
1741 N CA C ga_12
1742 CA C +N ga_18
1743 CA C O ga_29
1744 O C +N ga_32
1745 N CA CB ga_12
1746 C CA CB ga_12
1747 CA CB OG1 ga_12
1748 CA CB CG2 ga_14
1749 OG1 CB CG2 ga_14
1750 CB OG1 HG1 ga_11
1751 [ impropers ]
1752 ; ai aj ak al gromos type
1753 N -C CA H gi_1
1754 C CA +N O gi_1
1755 CA N C CB gi_2
1756 CB OG1 CG2 CA gi_2
1757 [ dihedrals ]
1758 ; ai aj ak al gromos type
1759 -CA -C N CA gd_4
1760 -C N CA C gd_19
1761 N CA C +N gd_20
1762 N CA CB OG1 gd_17
1763 CA CB OG1 HG1 gd_12
1765 [ TRP ]
1766 [ atoms ]
1767 N N -0.28000 0
1768 H H 0.28000 0
1769 CA CH1 0.00000 1
1770 CB CH2 0.00000 1
1771 CG C -0.14000 2
1772 CD1 C -0.10000 2
1773 HD1 HC 0.10000 2
1774 CD2 C 0.00000 2
1775 NE1 NR -0.05000 2
1776 HE1 H 0.19000 2
1777 CE2 C 0.00000 2
1778 CE3 C -0.10000 3
1779 HE3 HC 0.10000 3
1780 CZ2 C -0.10000 4
1781 HZ2 HC 0.10000 4
1782 CZ3 C -0.10000 5
1783 HZ3 HC 0.10000 5
1784 CH2 C -0.10000 6
1785 HH2 HC 0.10000 6
1786 C C 0.380 7
1787 O O -0.380 7
1788 [ bonds ]
1789 N H gb_2
1790 N CA gb_20
1791 CA C gb_26
1792 C O gb_4
1793 C +N gb_9
1794 CA CB gb_26
1795 CB CG gb_26
1796 CG CD1 gb_9
1797 CG CD2 gb_15
1798 CD1 HD1 gb_3
1799 CD1 NE1 gb_9
1800 CD2 CE2 gb_15
1801 CD2 CE3 gb_15
1802 NE1 HE1 gb_2
1803 NE1 CE2 gb_9
1804 CE2 CZ2 gb_15
1805 CE3 HE3 gb_3
1806 CE3 CZ3 gb_15
1807 CZ2 HZ2 gb_3
1808 CZ2 CH2 gb_15
1809 CZ3 HZ3 gb_3
1810 CZ3 CH2 gb_15
1811 CH2 HH2 gb_3
1812 [ exclusions ]
1813 ; ai aj
1814 CB HD1
1815 CB NE1
1816 CB CE2
1817 CB CE3
1818 CG HE1
1819 CG HE3
1820 CG CZ2
1821 CG CZ3
1822 CD1 CE3
1823 CD1 CZ2
1824 HD1 CD2
1825 HD1 HE1
1826 HD1 CE2
1827 CD2 HE1
1828 CD2 HZ2
1829 CD2 HZ3
1830 CD2 CH2
1831 NE1 CE3
1832 NE1 HZ2
1833 NE1 CH2
1834 HE1 CZ2
1835 CE2 HE3
1836 CE2 CZ3
1837 CE2 HH2
1838 CE3 CZ2
1839 CE3 HH2
1840 HE3 HZ3
1841 HE3 CH2
1842 CZ2 HZ3
1843 HZ2 CZ3
1844 HZ2 HH2
1845 HZ3 HH2
1846 [ angles ]
1847 ; ai aj ak gromos type
1848 -C N H ga_31
1849 H N CA ga_17
1850 -C N CA ga_30
1851 N CA C ga_12
1852 CA C +N ga_18
1853 CA C O ga_29
1854 O C +N ga_32
1855 N CA CB ga_12
1856 C CA CB ga_12
1857 CA CB CG ga_14
1858 CB CG CD1 ga_36
1859 CB CG CD2 ga_36
1860 CD1 CG CD2 ga_6
1861 CG CD1 HD1 ga_35
1862 HD1 CD1 NE1 ga_35
1863 CG CD1 NE1 ga_6
1864 CG CD2 CE2 ga_6
1865 CD1 NE1 CE2 ga_6
1866 CD1 NE1 HE1 ga_35
1867 HE1 NE1 CE2 ga_35
1868 NE1 CE2 CD2 ga_6
1869 CG CD2 CE3 ga_38
1870 NE1 CE2 CZ2 ga_38
1871 CD2 CE2 CZ2 ga_26
1872 CE2 CD2 CE3 ga_26
1873 CD2 CE3 HE3 ga_24
1874 HE3 CE3 CZ3 ga_24
1875 CD2 CE3 CZ3 ga_26
1876 CE2 CZ2 HZ2 ga_24
1877 HZ2 CZ2 CH2 ga_24
1878 CE2 CZ2 CH2 ga_26
1879 CE3 CZ3 HZ3 ga_24
1880 HZ3 CZ3 CH2 ga_24
1881 CE3 CZ3 CH2 ga_26
1882 CZ2 CH2 HH2 ga_24
1883 HH2 CH2 CZ3 ga_24
1884 CZ2 CH2 CZ3 ga_26
1885 [ impropers ]
1886 ; ai aj ak al gromos type
1887 N -C CA H gi_1
1888 C CA +N O gi_1
1889 CA N C CB gi_2
1890 CG CD1 CD2 CB gi_1
1891 CD2 CG CD1 NE1 gi_1
1892 CD1 CG CD2 CE2 gi_1
1893 CG CD1 NE1 CE2 gi_1
1894 CG CD2 CE2 NE1 gi_1
1895 CD1 NE1 CE2 CD2 gi_1
1896 CD1 CG NE1 HD1 gi_1
1897 NE1 CD1 CE2 HE1 gi_1
1898 CD2 CE2 CE3 CG gi_1
1899 CE2 CD2 CZ2 NE1 gi_1
1900 CE3 CD2 CE2 CZ2 gi_1
1901 CD2 CE2 CZ2 CH2 gi_1
1902 CE2 CD2 CE3 CZ3 gi_1
1903 CE2 CZ2 CH2 CZ3 gi_1
1904 CD2 CE3 CZ3 CH2 gi_1
1905 CE3 CZ3 CH2 CZ2 gi_1
1906 CE3 CD2 CZ3 HE3 gi_1
1907 CZ2 CE2 CH2 HZ2 gi_1
1908 CZ3 CE3 CH2 HZ3 gi_1
1909 CH2 CZ2 CZ3 HH2 gi_1
1910 [ dihedrals ]
1911 ; ai aj ak al gromos type
1912 -CA -C N CA gd_4
1913 -C N CA C gd_19
1914 N CA C +N gd_20
1915 N CA CB CG gd_17
1916 CA CB CG CD2 gd_20
1918 [ TYR ]
1919 [ atoms ]
1920 N N -0.28000 0
1921 H H 0.28000 0
1922 CA CH1 0.00000 1
1923 CB CH2 0.00000 1
1924 CG C 0.00000 1
1925 CD1 C -0.10000 2
1926 HD1 HC 0.10000 2
1927 CD2 C -0.10000 3
1928 HD2 HC 0.10000 3
1929 CE1 C -0.10000 4
1930 HE1 HC 0.10000 4
1931 CE2 C -0.10000 5
1932 HE2 HC 0.10000 5
1933 CZ C 0.15000 6
1934 OH OA -0.54800 6
1935 HH H 0.39800 6
1936 C C 0.380 7
1937 O O -0.380 7
1938 [ bonds ]
1939 N H gb_2
1940 N CA gb_20
1941 CA C gb_26
1942 C O gb_4
1943 C +N gb_9
1944 CA CB gb_26
1945 CB CG gb_26
1946 CG CD1 gb_15
1947 CG CD2 gb_15
1948 CD1 HD1 gb_3
1949 CD1 CE1 gb_15
1950 CD2 HD2 gb_3
1951 CD2 CE2 gb_15
1952 CE1 HE1 gb_3
1953 CE1 CZ gb_15
1954 CE2 HE2 gb_3
1955 CE2 CZ gb_15
1956 CZ OH gb_12
1957 OH HH gb_1
1958 [ exclusions ]
1959 ; ai aj
1960 CB HD1
1961 CB HD2
1962 CB CE1
1963 CB CE2
1964 CG HE1
1965 CG HE2
1966 CG CZ
1967 CD1 HD2
1968 CD1 CE2
1969 CD1 OH
1970 HD1 CD2
1971 HD1 HE1
1972 HD1 CZ
1973 CD2 CE1
1974 CD2 OH
1975 HD2 HE2
1976 HD2 CZ
1977 CE1 HE2
1978 HE1 CE2
1979 HE1 OH
1980 HE2 OH
1981 [ angles ]
1982 ; ai aj ak gromos type
1983 -C N H ga_31
1984 H N CA ga_17
1985 -C N CA ga_30
1986 N CA C ga_12
1987 CA C +N ga_18
1988 CA C O ga_29
1989 O C +N ga_32
1990 N CA CB ga_12
1991 C CA CB ga_12
1992 CA CB CG ga_14
1993 CB CG CD1 ga_26
1994 CB CG CD2 ga_26
1995 CD1 CG CD2 ga_26
1996 CG CD1 HD1 ga_24
1997 HD1 CD1 CE1 ga_24
1998 CG CD1 CE1 ga_26
1999 CG CD2 HD2 ga_24
2000 HD2 CD2 CE2 ga_24
2001 CG CD2 CE2 ga_26
2002 CD1 CE1 HE1 ga_24
2003 HE1 CE1 CZ ga_24
2004 CD1 CE1 CZ ga_26
2005 CD2 CE2 HE2 ga_24
2006 HE2 CE2 CZ ga_24
2007 CD2 CE2 CZ ga_26
2008 CE1 CZ CE2 ga_26
2009 CE1 CZ OH ga_26
2010 CE2 CZ OH ga_26
2011 CZ OH HH ga_11
2012 [ impropers ]
2013 ; ai aj ak al gromos type
2014 N -C CA H gi_1
2015 C CA +N O gi_1
2016 CA N C CB gi_2
2017 CG CD1 CD2 CB gi_1
2018 CD2 CG CD1 CE1 gi_1
2019 CD1 CG CD2 CE2 gi_1
2020 CG CD1 CE1 CZ gi_1
2021 CG CD2 CE2 CZ gi_1
2022 CD1 CE1 CZ CE2 gi_1
2023 CD2 CE2 CZ CE1 gi_1
2024 CD1 CG CE1 HD1 gi_1
2025 CD2 CG CE2 HD2 gi_1
2026 CE1 CZ CD1 HE1 gi_1
2027 CE2 CZ CD2 HE2 gi_1
2028 CZ CE1 CE2 OH gi_1
2029 [ dihedrals ]
2030 ; ai aj ak al gromos type
2031 -CA -C N CA gd_4
2032 -C N CA C gd_19
2033 N CA C +N gd_20
2034 N CA CB CG gd_17
2035 CA CB CG CD1 gd_20
2036 CE1 CZ OH HH gd_2
2038 [ VAL ]
2039 [ atoms ]
2040 N N -0.28000 0
2041 H H 0.28000 0
2042 CA CH1 0.00000 1
2043 CB CH1 0.00000 1
2044 CG1 CH3 0.00000 1
2045 CG2 CH3 0.00000 1
2046 C C 0.380 2
2047 O O -0.380 2
2048 [ bonds ]
2049 N H gb_2
2050 N CA gb_20
2051 CA C gb_26
2052 C O gb_4
2053 C +N gb_9
2054 CA CB gb_26
2055 CB CG1 gb_26
2056 CB CG2 gb_26
2057 [ angles ]
2058 ; ai aj ak gromos type
2059 -C N H ga_31
2060 H N CA ga_17
2061 -C N CA ga_30
2062 N CA C ga_12
2063 CA C +N ga_18
2064 CA C O ga_29
2065 O C +N ga_32
2066 N CA CB ga_12
2067 C CA CB ga_12
2068 CA CB CG1 ga_14
2069 CA CB CG2 ga_14
2070 CG1 CB CG2 ga_14
2071 [ impropers ]
2072 ; ai aj ak al gromos type
2073 N -C CA H gi_1
2074 C CA +N O gi_1
2075 CA N C CB gi_2
2076 CB CG2 CG1 CA gi_2
2077 [ dihedrals ]
2078 ; ai aj ak al gromos type
2079 -CA -C N CA gd_4
2080 -C N CA C gd_19
2081 N CA C +N gd_20
2082 N CA CB CG1 gd_17
2084 [ DALA ]
2085 [ atoms ]
2086 N N -0.28000 0
2087 H H 0.28000 0
2088 CA CH1 0.00000 1
2089 CB CH3 0.00000 1
2090 C C 0.380 2
2091 O O -0.380 2
2092 [ bonds ]
2093 N H gb_2
2094 N CA gb_20
2095 CA C gb_26
2096 C O gb_4
2097 C +N gb_9
2098 CA CB gb_26
2099 [ angles ]
2100 ; ai aj ak gromos type
2101 -C N H ga_31
2102 H N CA ga_17
2103 -C N CA ga_30
2104 N CA C ga_12
2105 CA C +N ga_18
2106 CA C O ga_29
2107 O C +N ga_32
2108 N CA CB ga_12
2109 C CA CB ga_12
2110 [ impropers ]
2111 ; ai aj ak al gromos type
2112 N -C CA H gi_1
2113 C CA +N O gi_1
2114 CA C N CB gi_2
2115 [ dihedrals ]
2116 ; ai aj ak al gromos type
2117 -CA -C N CA gd_4
2118 -C N CA C gd_19
2119 N CA C +N gd_20
2121 [ ABU ]
2122 [ atoms ]
2123 N N -0.28000 0
2124 H H 0.28000 0
2125 CA CH1 0.00000 1
2126 CB CH2 0.00000 1
2127 CG CH3 0.00000 1
2128 C C 0.380 2
2129 O O -0.380 2
2130 [ bonds ]
2131 N H gb_2
2132 N CA gb_20
2133 CA C gb_26
2134 C O gb_4
2135 C +N gb_9
2136 CA CB gb_26
2137 CB CG gb_26
2138 [ angles ]
2139 ; ai aj ak gromos type
2140 -C N H ga_31
2141 H N CA ga_17
2142 -C N CA ga_30
2143 N CA C ga_12
2144 CA C +N ga_18
2145 CA C O ga_29
2146 O C +N ga_32
2147 N CA CB ga_12
2148 C CA CB ga_12
2149 CA CB CG ga_14
2150 [ impropers ]
2151 ; ai aj ak al gromos type
2152 N -C CA H gi_1
2153 C CA +N O gi_1
2154 CA N C CB gi_2
2155 [ dihedrals ]
2156 ; ai aj ak al gromos type
2157 -CA -C N CA gd_4
2158 -C N CA C gd_19
2159 N CA C +N gd_20
2160 N CA CB CG gd_17
2162 [ MEBMT ]
2163 [ atoms ]
2164 N N 0.00000 0
2165 CN CH3 0.00000 0
2166 CA CH1 0.00000 1
2167 CB CH1 0.15000 2
2168 OG1 OA -0.54800 2
2169 HG1 H 0.39800 2
2170 CG2 CH1 0.00000 3
2171 CD1 CH3 0.00000 3
2172 CD2 CH2 0.00000 3
2173 CE CR1 0.00000 4
2174 CZ CR1 0.00000 4
2175 CH CH3 0.00000 4
2176 C C 0.380 5
2177 O O -0.380 5
2178 [ bonds ]
2179 N CN gb_20
2180 N CA gb_20
2181 CA C gb_26
2182 C O gb_4
2183 C +N gb_9
2184 CA CB gb_26
2185 CB OG1 gb_17
2186 OG1 HG1 gb_1
2187 CB CG2 gb_26
2188 CG2 CD1 gb_26
2189 CG2 CD2 gb_26
2190 CD2 CE gb_26
2191 CE CZ gb_9
2192 CZ CH gb_26
2193 [ angles ]
2194 ; ai aj ak gromos type
2195 -C N CN ga_21
2196 CN N CA ga_29
2197 -C N CA ga_30
2198 N CA C ga_12
2199 CA C +N ga_18
2200 CA C O ga_29
2201 O C +N ga_32
2202 N CA CB ga_12
2203 C CA CB ga_12
2204 CA CB OG1 ga_12
2205 CA CB CG2 ga_14
2206 OG1 CB CG2 ga_14
2207 CB OG1 HG1 ga_11
2208 CB CG2 CD1 ga_14
2209 CB CG2 CD2 ga_14
2210 CD2 CG2 CD1 ga_14
2211 CG2 CD2 CE ga_14
2212 CD2 CE CZ ga_26
2213 CE CZ CH ga_26
2214 [ impropers ]
2215 ; ai aj ak al gromos type
2216 N -C CA CN gi_1
2217 C CA +N O gi_1
2218 CA N C CB gi_2
2219 CB OG1 CG2 CA gi_2
2220 CG2 CD1 CD2 CB gi_2
2221 [ dihedrals ]
2222 ; ai aj ak al gromos type
2223 -CA -C N CA gd_4
2224 -C N CA C gd_19
2225 N CA C +N gd_20
2226 N CA CB CG2 gd_17
2227 CA CB OG1 HG1 gd_12
2228 CA CB CG2 CD2 gd_17
2229 CB CG2 CD2 CE gd_17
2230 CG2 CD2 CE CZ gd_20
2231 CD2 CE CZ CH gd_4
2233 [ MELEU ]
2234 [ atoms ]
2235 N N 0.00000 0
2236 CN CH3 0.00000 0
2237 CA CH1 0.00000 1
2238 CB CH2 0.00000 1
2239 CG CH1 0.00000 2
2240 CD1 CH3 0.00000 2
2241 CD2 CH3 0.00000 2
2242 C C 0.380 3
2243 O O -0.380 3
2244 [ bonds ]
2245 N CN gb_20
2246 N CA gb_20
2247 CA C gb_26
2248 C O gb_4
2249 C +N gb_9
2250 CA CB gb_26
2251 CB CG gb_26
2252 CG CD1 gb_26
2253 CG CD2 gb_26
2254 [ angles ]
2255 ; ai aj ak gromos type
2256 -C N CN ga_21
2257 CN N CA ga_29
2258 -C N CA ga_30
2259 N CA C ga_12
2260 CA C +N ga_18
2261 CA C O ga_29
2262 O C +N ga_32
2263 N CA CB ga_12
2264 C CA CB ga_12
2265 CA CB CG ga_14
2266 CB CG CD1 ga_14
2267 CB CG CD2 ga_14
2268 CD1 CG CD2 ga_14
2269 [ impropers ]
2270 ; ai aj ak al gromos type
2271 N -C CA CN gi_1
2272 C CA +N O gi_1
2273 CA N C CB gi_2
2274 CG CD2 CD1 CB gi_2
2275 [ dihedrals ]
2276 ; ai aj ak al gromos type
2277 -CA -C N CA gd_4
2278 -C N CA C gd_19
2279 N CA C +N gd_20
2280 N CA CB CG gd_17
2281 CA CB CG CD1 gd_17
2283 [ MEVAL ]
2284 [ atoms ]
2285 N N 0.00000 0
2286 CN CH3 0.00000 0
2287 CA CH1 0.00000 1
2288 CB CH1 0.00000 1
2289 CG1 CH3 0.00000 1
2290 CG2 CH3 0.00000 1
2291 C C 0.380 2
2292 O O -0.380 2
2293 [ bonds ]
2294 N CN gb_20
2295 N CA gb_20
2296 CA C gb_26
2297 C O gb_4
2298 C +N gb_9
2299 CA CB gb_26
2300 CB CG1 gb_26
2301 CB CG2 gb_26
2302 [ angles ]
2303 ; ai aj ak gromos type
2304 -C N CN ga_21
2305 CN N CA ga_29
2306 -C N CA ga_30
2307 N CA C ga_12
2308 CA C +N ga_18
2309 CA C O ga_29
2310 O C +N ga_32
2311 N CA CB ga_12
2312 C CA CB ga_12
2313 CA CB CG1 ga_14
2314 CA CB CG2 ga_14
2315 CG1 CB CG2 ga_14
2316 [ impropers ]
2317 ; ai aj ak al gromos type
2318 N -C CA CN gi_1
2319 C CA +N O gi_1
2320 CA N C CB gi_2
2321 CB CG2 CG1 CA gi_2
2322 [ dihedrals ]
2323 ; ai aj ak al gromos type
2324 -CA -C N CA gd_4
2325 -C N CA C gd_19
2326 N CA C +N gd_20
2327 N CA CB CG1 gd_17
2329 [ SAR ]
2330 [ atoms ]
2331 N N 0.00000 0
2332 CN CH3 0.00000 0
2333 CA CH2 0.00000 1
2334 C C 0.380 2
2335 O O -0.380 2
2336 [ bonds ]
2337 N CN gb_20
2338 N CA gb_20
2339 CA C gb_26
2340 C O gb_4
2341 C +N gb_9
2342 [ angles ]
2343 ; ai aj ak gromos type
2344 -C N CN ga_21
2345 CN N CA ga_29
2346 -C N CA ga_30
2347 N CA C ga_12
2348 CA C +N ga_18
2349 CA C O ga_29
2350 O C +N ga_32
2351 [ impropers ]
2352 ; ai aj ak al gromos type
2353 N -C CA CN gi_1
2354 C CA +N O gi_1
2355 [ dihedrals ]
2356 ; ai aj ak al gromos type
2357 -CA -C N CA gd_4
2358 -C N CA C gd_19
2359 N CA C +N gd_20
2361 [ DADE ]
2362 [ atoms ]
2363 P P 0.99000 0
2364 O1P OM -0.63500 0
2365 O2P OM -0.63500 0
2366 O5* OA -0.36000 0
2367 C5* CH2 0.00000 1
2368 C4* CH1 0.16000 2
2369 O4* OA -0.36000 2
2370 C1* CH1 0.20000 2
2371 N9 NR -0.20000 3
2372 C4 C 0.20000 3
2373 N3 NR -0.36000 4
2374 C2 CR1 0.36000 4
2375 N1 NR -0.36000 5
2376 C6 C 0.36000 5
2377 N6 NT -0.83000 6
2378 H61 H 0.41500 6
2379 H62 H 0.41500 6
2380 C5 C 0.00000 7
2381 N7 NR -0.36000 7
2382 C8 CR1 0.36000 7
2383 C2* CH2 0.00000 8
2384 C3* CH1 0.000 8
2385 O3* OA -0.360 9
2386 [ bonds ]
2387 P O1P gb_23
2388 P O2P gb_23
2389 P O5* gb_27
2390 O5* C5* gb_19
2391 C5* C4* gb_25
2392 C4* O4* gb_19
2393 C4* C3* gb_25
2394 O4* C1* gb_19
2395 C1* N9 gb_21
2396 C1* C2* gb_25
2397 N9 C4 gb_9
2398 N9 C8 gb_9
2399 C4 N3 gb_11
2400 C4 C5 gb_15
2401 N3 C2 gb_6
2402 C2 N1 gb_6
2403 N1 C6 gb_11
2404 C6 N6 gb_8
2405 C6 C5 gb_15
2406 N6 H61 gb_2
2407 N6 H62 gb_2
2408 C5 N7 gb_9
2409 N7 C8 gb_9
2410 C2* C3* gb_25
2411 C3* O3* gb_19
2412 O3* +P gb_27
2413 [ exclusions ]
2414 ; ai aj
2415 C1* N3
2416 C1* C5
2417 C1* N7
2418 N9 C2
2419 N9 C6
2420 C4 N1
2421 C4 N6
2422 N3 C6
2423 N3 N7
2424 N3 C8
2425 C2 N6
2426 C2 C5
2427 N1 N7
2428 C6 C8
2429 N6 N7
2430 [ angles ]
2431 ; ai aj ak gromos type
2432 -O P O1P ga_13
2433 -O P O2P ga_13
2434 -O P O5* ga_4
2435 O1P P O2P ga_28
2436 O1P P O5* ga_13
2437 O2P P O5* ga_13
2438 P O5* C5* ga_25
2439 O5* C5* C4* ga_8
2440 C5* C4* O4* ga_8
2441 C5* C4* C3* ga_7
2442 O4* C4* C3* ga_8
2443 C4* O4* C1* ga_9
2444 O4* C1* N9 ga_8
2445 O4* C1* C2* ga_8
2446 N9 C1* C2* ga_8
2447 C1* N9 C4 ga_36
2448 C1* N9 C8 ga_36
2449 C4 N9 C8 ga_6
2450 N9 C4 N3 ga_38
2451 N9 C4 C5 ga_6
2452 N3 C4 C5 ga_26
2453 C4 N3 C2 ga_26
2454 N3 C2 N1 ga_26
2455 C2 N1 C6 ga_26
2456 N1 C6 N6 ga_26
2457 N1 C6 C5 ga_26
2458 N6 C6 C5 ga_26
2459 C6 N6 H61 ga_22
2460 C6 N6 H62 ga_22
2461 H61 N6 H62 ga_23
2462 C4 C5 C6 ga_26
2463 C4 C5 N7 ga_6
2464 C6 C5 N7 ga_38
2465 C5 N7 C8 ga_6
2466 N9 C8 N7 ga_6
2467 C1* C2* C3* ga_7
2468 C4* C3* C2* ga_7
2469 C4* C3* O3* ga_8
2470 C2* C3* O3* ga_8
2471 C3* O3* +P ga_25
2472 [ impropers ]
2473 ; ai aj ak al gromos type
2474 C4* O4* C5* C3* gi_2
2475 C3* C2* O3* C4* gi_2
2476 C1* N9 O4* C2* gi_2
2477 N9 C8 C4 C1* gi_1
2478 C4 N9 C8 N7 gi_1
2479 C8 N9 C4 C5 gi_1
2480 N9 C8 N7 C5 gi_1
2481 N9 C4 C5 N7 gi_1
2482 C8 N7 C5 C4 gi_1
2483 C4 N9 N3 C5 gi_1
2484 C5 C6 N7 C4 gi_1
2485 N3 C4 C5 C6 gi_1
2486 C4 C5 C6 N1 gi_1
2487 C5 C4 N3 C2 gi_1
2488 C5 C6 N1 C2 gi_1
2489 C4 N3 C2 N1 gi_1
2490 N3 C2 N1 C6 gi_1
2491 C6 C5 N1 N6 gi_1
2492 N6 H61 H62 C6 gi_1
2493 [ dihedrals ]
2494 ; ai aj ak al gromos type
2495 -C -O P O5* gd_11
2496 -C -O P O5* gd_9
2497 -O P O5* C5* gd_11
2498 -O P O5* C5* gd_9
2499 P O5* C5* C4* gd_14
2500 O5* C5* C4* C3* gd_17
2501 O5* C5* C4* C3* gd_7
2502 O5* C5* C4* O4* gd_8
2503 C5* C4* C3* C2* gd_17
2504 C5* C4* C3* O3* gd_7
2505 O4* C4* C3* C2* gd_7
2506 O4* C4* C3* O3* gd_8
2507 C4* C3* C2* C1* gd_17
2508 O3* C3* C2* C1* gd_7
2509 C3* C2* C1* O4* gd_17
2510 C3* C2* C1* O4* gd_7
2511 C3* C4* O4* C1* gd_14
2512 C4* O4* C1* C2* gd_14
2513 O4* C1* N9 C4 gd_6
2514 C5 C6 N6 H61 gd_4
2515 C4* C3* O3* +P gd_14
2517 [ DGUA ]
2518 [ atoms ]
2519 P P 0.99000 0
2520 O1P OM -0.63500 0
2521 O2P OM -0.63500 0
2522 O5* OA -0.36000 0
2523 C5* CH2 0.00000 1
2524 C4* CH1 0.16000 2
2525 O4* OA -0.36000 2
2526 C1* CH1 0.20000 2
2527 N9 NR -0.20000 3
2528 C4 C 0.20000 3
2529 N3 NR -0.36000 4
2530 C2 C 0.36000 4
2531 N2 NT -0.83000 5
2532 H21 H 0.41500 5
2533 H22 H 0.41500 5
2534 N1 NR -0.28000 6
2535 H1 H 0.28000 6
2536 C6 C 0.38000 7
2537 O6 O -0.38000 7
2538 C5 C 0.00000 8
2539 N7 NR -0.36000 8
2540 C8 CR1 0.36000 8
2541 C2* CH2 0.00000 9
2542 C3* CH1 0.000 9
2543 O3* OA -0.360 10
2544 [ bonds ]
2545 P O1P gb_23
2546 P O2P gb_23
2547 P O5* gb_27
2548 O5* C5* gb_19
2549 C5* C4* gb_25
2550 C4* O4* gb_19
2551 C4* C3* gb_25
2552 O4* C1* gb_19
2553 C1* N9 gb_21
2554 C1* C2* gb_25
2555 N9 C4 gb_9
2556 N9 C8 gb_9
2557 C4 N3 gb_11
2558 C4 C5 gb_15
2559 N3 C2 gb_11
2560 C2 N2 gb_8
2561 C2 N1 gb_16
2562 N2 H21 gb_2
2563 N2 H22 gb_2
2564 N1 H1 gb_2
2565 N1 C6 gb_16
2566 C6 O6 gb_4
2567 C6 C5 gb_15
2568 C5 N7 gb_9
2569 N7 C8 gb_9
2570 C2* C3* gb_25
2571 C3* O3* gb_19
2572 O3* +P gb_27
2573 [ exclusions ]
2574 ; ai aj
2575 C1* N3
2576 C1* C5
2577 C1* N7
2578 N9 C2
2579 N9 C6
2580 C4 N2
2581 C4 N1
2582 C4 O6
2583 N3 H1
2584 N3 C6
2585 N3 N7
2586 N3 C8
2587 C2 O6
2588 C2 C5
2589 N2 H1
2590 N2 C6
2591 N1 N7
2592 H1 O6
2593 H1 C5
2594 C6 C8
2595 O6 N7
2596 [ angles ]
2597 ; ai aj ak gromos type
2598 -O P O1P ga_13
2599 -O P O2P ga_13
2600 -O P O5* ga_4
2601 O1P P O2P ga_28
2602 O1P P O5* ga_13
2603 O2P P O5* ga_13
2604 P O5* C5* ga_25
2605 O5* C5* C4* ga_8
2606 C5* C4* O4* ga_8
2607 C5* C4* C3* ga_7
2608 O4* C4* C3* ga_8
2609 C4* O4* C1* ga_9
2610 O4* C1* N9 ga_8
2611 O4* C1* C2* ga_8
2612 N9 C1* C2* ga_8
2613 C1* N9 C4 ga_36
2614 C1* N9 C8 ga_36
2615 C4 N9 C8 ga_6
2616 N9 C4 N3 ga_38
2617 N9 C4 C5 ga_6
2618 N3 C4 C5 ga_26
2619 C4 N3 C2 ga_26
2620 N3 C2 N2 ga_26
2621 N3 C2 N1 ga_26
2622 N2 C2 N1 ga_26
2623 C2 N2 H21 ga_22
2624 C2 N2 H22 ga_22
2625 H21 N2 H22 ga_23
2626 C2 N1 H1 ga_24
2627 C2 N1 C6 ga_26
2628 H1 N1 C6 ga_24
2629 N1 C6 O6 ga_26
2630 N1 C6 C5 ga_26
2631 O6 C6 C5 ga_26
2632 C4 C5 C6 ga_26
2633 C4 C5 N7 ga_6
2634 C6 C5 N7 ga_38
2635 C5 N7 C8 ga_6
2636 N9 C8 N7 ga_6
2637 C1* C2* C3* ga_7
2638 C4* C3* C2* ga_7
2639 C4* C3* O3* ga_8
2640 C2* C3* O3* ga_8
2641 C3* O3* +P ga_25
2642 [ impropers ]
2643 ; ai aj ak al gromos type
2644 C4* O4* C5* C3* gi_2
2645 C3* C2* O3* C4* gi_2
2646 C1* N9 O4* C2* gi_2
2647 N9 C8 C4 C1* gi_1
2648 C4 N9 C8 N7 gi_1
2649 C8 N9 C4 C5 gi_1
2650 N9 C8 N7 C5 gi_1
2651 N9 C4 C5 N7 gi_1
2652 C8 N7 C5 C4 gi_1
2653 C4 N9 N3 C5 gi_1
2654 C5 C6 N7 C4 gi_1
2655 N3 C4 C5 C6 gi_1
2656 C4 C5 C6 N1 gi_1
2657 C5 C4 N3 C2 gi_1
2658 C5 C6 N1 C2 gi_1
2659 C4 N3 C2 N1 gi_1
2660 N3 C2 N1 C6 gi_1
2661 C2 N1 N3 N2 gi_1
2662 N2 H21 H22 C2 gi_1
2663 N1 C6 C2 H1 gi_1
2664 C6 C5 N1 O6 gi_1
2665 [ dihedrals ]
2666 ; ai aj ak al gromos type
2667 -C -O P O5* gd_11
2668 -C -O P O5* gd_9
2669 -O P O5* C5* gd_11
2670 -O P O5* C5* gd_9
2671 P O5* C5* C4* gd_14
2672 O5* C5* C4* C3* gd_17
2673 O5* C5* C4* C3* gd_7
2674 O5* C5* C4* O4* gd_8
2675 C5* C4* C3* C2* gd_17
2676 C5* C4* C3* O3* gd_7
2677 O4* C4* C3* C2* gd_7
2678 O4* C4* C3* O3* gd_8
2679 C4* C3* C2* C1* gd_17
2680 O3* C3* C2* C1* gd_7
2681 C3* C2* C1* O4* gd_17
2682 C3* C2* C1* O4* gd_7
2683 C3* C4* O4* C1* gd_14
2684 C4* O4* C1* C2* gd_14
2685 O4* C1* N9 C4 gd_6
2686 N3 C2 N2 H21 gd_4
2687 C4* C3* O3* +P gd_14
2689 [ DCYT ]
2690 [ atoms ]
2691 P P 0.99000 0
2692 O1P OM -0.63500 0
2693 O2P OM -0.63500 0
2694 O5* OA -0.36000 0
2695 C5* CH2 0.00000 1
2696 C4* CH1 0.16000 2
2697 O4* OA -0.36000 2
2698 C1* CH1 0.20000 2
2699 N1 NR -0.20000 3
2700 C6 CR1 0.20000 3
2701 C2 C 0.38000 4
2702 O2 O -0.38000 4
2703 N3 NR -0.36000 5
2704 C4 C 0.36000 5
2705 N4 NT -0.83000 6
2706 H41 H 0.41500 6
2707 H42 H 0.41500 6
2708 C5 CR1 0.00000 7
2709 C2* CH2 0.00000 8
2710 C3* CH1 0.000 8
2711 O3* OA -0.360 9
2712 [ bonds ]
2713 P O1P gb_23
2714 P O2P gb_23
2715 P O5* gb_27
2716 O5* C5* gb_19
2717 C5* C4* gb_25
2718 C4* O4* gb_19
2719 C4* C3* gb_25
2720 O4* C1* gb_19
2721 C1* N1 gb_22
2722 C1* C2* gb_25
2723 N1 C6 gb_16
2724 N1 C2 gb_16
2725 C6 C5 gb_15
2726 C2 O2 gb_4
2727 C2 N3 gb_11
2728 N3 C4 gb_11
2729 C4 N4 gb_8
2730 C4 C5 gb_15
2731 N4 H41 gb_2
2732 N4 H42 gb_2
2733 C2* C3* gb_25
2734 C3* O3* gb_19
2735 O3* +P gb_27
2736 [ exclusions ]
2737 ; ai aj
2738 C1* O2
2739 C1* N3
2740 C1* C5
2741 N1 C4
2742 C6 O2
2743 C6 N3
2744 C6 N4
2745 C2 N4
2746 C2 C5
2747 O2 C4
2748 [ angles ]
2749 ; ai aj ak gromos type
2750 -O P O1P ga_13
2751 -O P O2P ga_13
2752 -O P O5* ga_4
2753 O1P P O2P ga_28
2754 O1P P O5* ga_13
2755 O2P P O5* ga_13
2756 P O5* C5* ga_25
2757 O5* C5* C4* ga_8
2758 C5* C4* O4* ga_8
2759 C5* C4* C3* ga_7
2760 O4* C4* C3* ga_8
2761 C4* O4* C1* ga_9
2762 O4* C1* N1 ga_8
2763 O4* C1* C2* ga_8
2764 N1 C1* C2* ga_7
2765 C1* N1 C6 ga_26
2766 C1* N1 C2 ga_26
2767 C6 N1 C2 ga_26
2768 N1 C6 C5 ga_26
2769 N1 C2 O2 ga_26
2770 N1 C2 N3 ga_26
2771 O2 C2 N3 ga_26
2772 C2 N3 C4 ga_26
2773 N3 C4 N4 ga_26
2774 N3 C4 C5 ga_26
2775 N4 C4 C5 ga_26
2776 C4 N4 H41 ga_22
2777 C4 N4 H42 ga_22
2778 H41 N4 H42 ga_23
2779 C6 C5 C4 ga_26
2780 C1* C2* C3* ga_7
2781 C4* C3* C2* ga_7
2782 C4* C3* O3* ga_8
2783 C2* C3* O3* ga_8
2784 C3* O3* +P ga_25
2785 [ impropers ]
2786 ; ai aj ak al gromos type
2787 C4* O4* C5* C3* gi_2
2788 C3* C2* O3* C4* gi_2
2789 C1* N1 O4* C2* gi_2
2790 N1 C6 C2 C1* gi_1
2791 C2 N1 C6 C5 gi_1
2792 C6 N1 C2 N3 gi_1
2793 N1 C6 C5 C4 gi_1
2794 N1 C2 N3 C4 gi_1
2795 C6 C5 C4 N3 gi_1
2796 C2 N3 C4 C5 gi_1
2797 C2 N3 N1 O2 gi_1
2798 C4 C5 N3 N4 gi_1
2799 N4 H41 H42 C4 gi_1
2800 [ dihedrals ]
2801 ; ai aj ak al gromos type
2802 -C -O P O5* gd_11
2803 -C -O P O5* gd_9
2804 -O P O5* C5* gd_11
2805 -O P O5* C5* gd_9
2806 P O5* C5* C4* gd_14
2807 O5* C5* C4* C3* gd_17
2808 O5* C5* C4* C3* gd_7
2809 O5* C5* C4* O4* gd_8
2810 C5* C4* C3* C2* gd_17
2811 C5* C4* C3* O3* gd_7
2812 O4* C4* C3* C2* gd_7
2813 O4* C4* C3* O3* gd_8
2814 C4* C3* C2* C1* gd_17
2815 O3* C3* C2* C1* gd_7
2816 C3* C2* C1* O4* gd_17
2817 C3* C2* C1* O4* gd_7
2818 C3* C4* O4* C1* gd_14
2819 C4* O4* C1* C2* gd_14
2820 O4* C1* N1 C2 gd_6
2821 N3 C4 N4 H41 gd_4
2822 C4* C3* O3* +P gd_14
2824 [ DTHY ]
2825 [ atoms ]
2826 P P 0.99000 0
2827 O1P OM -0.63500 0
2828 O2P OM -0.63500 0
2829 O5* OA -0.36000 0
2830 C5* CH2 0.00000 1
2831 C4* CH1 0.16000 2
2832 O4* OA -0.36000 2
2833 C1* CH1 0.20000 2
2834 N1 NR -0.20000 3
2835 C6 CR1 0.20000 3
2836 C2 C 0.38000 4
2837 O2 O -0.38000 4
2838 N3 NR -0.28000 5
2839 H3 H 0.28000 5
2840 C4 C 0.38000 6
2841 O4 O -0.38000 6
2842 C5 C 0.00000 7
2843 C5M CH3 0.00000 7
2844 C2* CH2 0.00000 8
2845 C3* CH1 0.000 8
2846 O3* OA -0.360 9
2847 [ bonds ]
2848 P O1P gb_23
2849 P O2P gb_23
2850 P O5* gb_27
2851 O5* C5* gb_19
2852 C5* C4* gb_25
2853 C4* O4* gb_19
2854 C4* C3* gb_25
2855 O4* C1* gb_19
2856 C1* N1 gb_22
2857 C1* C2* gb_25
2858 N1 C6 gb_16
2859 N1 C2 gb_16
2860 C6 C5 gb_15
2861 C2 O2 gb_4
2862 C2 N3 gb_16
2863 N3 H3 gb_2
2864 N3 C4 gb_16
2865 C4 O4 gb_4
2866 C4 C5 gb_15
2867 C5 C5M gb_26
2868 C2* C3* gb_25
2869 C3* O3* gb_19
2870 O3* +P gb_27
2871 [ exclusions ]
2872 ; ai aj
2873 C1* O2
2874 C1* N3
2875 C1* C5
2876 N1 H3
2877 N1 C4
2878 N1 C5M
2879 C6 O2
2880 C6 N3
2881 C6 O4
2882 C2 O4
2883 C2 C5
2884 O2 H3
2885 O2 C4
2886 N3 C5M
2887 H3 O4
2888 H3 C5
2889 O4 C5M
2890 [ angles ]
2891 ; ai aj ak gromos type
2892 -O P O1P ga_13
2893 -O P O2P ga_13
2894 -O P O5* ga_4
2895 O1P P O2P ga_28
2896 O1P P O5* ga_13
2897 O2P P O5* ga_13
2898 P O5* C5* ga_25
2899 O5* C5* C4* ga_8
2900 C5* C4* O4* ga_8
2901 C5* C4* C3* ga_7
2902 O4* C4* C3* ga_8
2903 C4* O4* C1* ga_9
2904 O4* C1* N1 ga_8
2905 O4* C1* C2* ga_8
2906 N1 C1* C2* ga_7
2907 C1* N1 C6 ga_26
2908 C1* N1 C2 ga_26
2909 C6 N1 C2 ga_26
2910 N1 C6 C5 ga_26
2911 N1 C2 O2 ga_26
2912 N1 C2 N3 ga_26
2913 O2 C2 N3 ga_26
2914 C2 N3 H3 ga_24
2915 C2 N3 C4 ga_26
2916 H3 N3 C4 ga_24
2917 N3 C4 O4 ga_26
2918 N3 C4 C5 ga_26
2919 O4 C4 C5 ga_26
2920 C6 C5 C4 ga_26
2921 C6 C5 C5M ga_26
2922 C4 C5 C5M ga_26
2923 C1* C2* C3* ga_7
2924 C4* C3* C2* ga_7
2925 C4* C3* O3* ga_8
2926 C2* C3* O3* ga_8
2927 C3* O3* +P ga_25
2928 [ impropers ]
2929 ; ai aj ak al gromos type
2930 C4* O4* C5* C3* gi_2
2931 C3* C2* O3* C4* gi_2
2932 C1* N1 O4* C2* gi_2
2933 N1 C6 C2 C1* gi_1
2934 C2 N1 C6 C5 gi_1
2935 C6 N1 C2 N3 gi_1
2936 N1 C6 C5 C4 gi_1
2937 N1 C2 N3 C4 gi_1
2938 C6 C5 C4 N3 gi_1
2939 C2 N3 C4 C5 gi_1
2940 C2 N3 N1 O2 gi_1
2941 N3 C4 C2 H3 gi_1
2942 C4 C5 N3 O4 gi_1
2943 C5 C6 C4 C5M gi_1
2944 [ dihedrals ]
2945 ; ai aj ak al gromos type
2946 -C -O P O5* gd_11
2947 -C -O P O5* gd_9
2948 -O P O5* C5* gd_11
2949 -O P O5* C5* gd_9
2950 P O5* C5* C4* gd_14
2951 O5* C5* C4* C3* gd_17
2952 O5* C5* C4* C3* gd_7
2953 O5* C5* C4* O4* gd_8
2954 C5* C4* C3* C2* gd_17
2955 C5* C4* C3* O3* gd_7
2956 O4* C4* C3* C2* gd_7
2957 O4* C4* C3* O3* gd_8
2958 C4* C3* C2* C1* gd_17
2959 O3* C3* C2* C1* gd_7
2960 C3* C2* C1* O4* gd_17
2961 C3* C2* C1* O4* gd_7
2962 C3* C4* O4* C1* gd_14
2963 C4* O4* C1* C2* gd_14
2964 O4* C1* N1 C2 gd_6
2965 C4* C3* O3* +P gd_14
2967 [ ADE ]
2968 [ atoms ]
2969 P P 0.99000 0
2970 O1P OM -0.63500 0
2971 O2P OM -0.63500 0
2972 O5* OA -0.36000 0
2973 C5* CH2 0.00000 1
2974 C4* CH1 0.16000 2
2975 O4* OA -0.36000 2
2976 C1* CH1 0.20000 2
2977 N9 NR -0.20000 3
2978 C4 C 0.20000 3
2979 N3 NR -0.36000 4
2980 C2 CR1 0.36000 4
2981 N1 NR -0.36000 5
2982 C6 C 0.36000 5
2983 N6 NT -0.83000 6
2984 H61 H 0.41500 6
2985 H62 H 0.41500 6
2986 C5 C 0.00000 7
2987 N7 NR -0.36000 7
2988 C8 CR1 0.36000 7
2989 C2* CH1 0.15000 8
2990 O2* OA -0.54800 8
2991 H2* H 0.39800 8
2992 C3* CH1 0.000 9
2993 O3* OA -0.360 10
2994 [ bonds ]
2995 P O1P gb_23
2996 P O2P gb_23
2997 P O5* gb_27
2998 O5* C5* gb_19
2999 C5* C4* gb_25
3000 C4* O4* gb_19
3001 C4* C3* gb_25
3002 O4* C1* gb_19
3003 C1* N9 gb_21
3004 C1* C2* gb_25
3005 N9 C4 gb_9
3006 N9 C8 gb_9
3007 C4 N3 gb_11
3008 C4 C5 gb_15
3009 N3 C2 gb_6
3010 C2 N1 gb_6
3011 N1 C6 gb_11
3012 C6 N6 gb_8
3013 C6 C5 gb_15
3014 N6 H61 gb_2
3015 N6 H62 gb_2
3016 C5 N7 gb_9
3017 N7 C8 gb_9
3018 C2* O2* gb_19
3019 O2* H2* gb_1
3020 C2* C3* gb_25
3021 C3* O3* gb_19
3022 O3* +P gb_27
3023 [ exclusions ]
3024 ; ai aj
3025 C1* N3
3026 C1* C5
3027 C1* N7
3028 N9 C2
3029 N9 C6
3030 C4 N1
3031 C4 N6
3032 N3 C6
3033 N3 N7
3034 N3 C8
3035 C2 N6
3036 C2 C5
3037 N1 N7
3038 C6 C8
3039 N6 N7
3040 [ angles ]
3041 ; ai aj ak gromos type
3042 -O P O1P ga_13
3043 -O P O2P ga_13
3044 -O P O5* ga_4
3045 O1P P O2P ga_28
3046 O1P P O5* ga_13
3047 O2P P O5* ga_13
3048 P O5* C5* ga_25
3049 O5* C5* C4* ga_8
3050 C5* C4* O4* ga_8
3051 C5* C4* C3* ga_7
3052 O4* C4* C3* ga_8
3053 C4* O4* C1* ga_9
3054 O4* C1* N9 ga_8
3055 O4* C1* C2* ga_8
3056 N9 C1* C2* ga_8
3057 C1* N9 C4 ga_36
3058 C1* N9 C8 ga_36
3059 C4 N9 C8 ga_6
3060 N9 C4 N3 ga_38
3061 N9 C4 C5 ga_6
3062 N3 C4 C5 ga_26
3063 C4 N3 C2 ga_26
3064 N3 C2 N1 ga_26
3065 C2 N1 C6 ga_26
3066 N1 C6 N6 ga_26
3067 N1 C6 C5 ga_26
3068 N6 C6 C5 ga_26
3069 C6 N6 H61 ga_22
3070 C6 N6 H62 ga_22
3071 H61 N6 H62 ga_23
3072 C4 C5 C6 ga_26
3073 C4 C5 N7 ga_6
3074 C6 C5 N7 ga_38
3075 C5 N7 C8 ga_6
3076 N9 C8 N7 ga_6
3077 C1* C2* C3* ga_7
3078 C1* C2* O2* ga_8
3079 O2* C2* C3* ga_8
3080 C2* O2* H2* ga_11
3081 C4* C3* C2* ga_7
3082 C4* C3* O3* ga_8
3083 C2* C3* O3* ga_8
3084 C3* O3* +P ga_25
3085 [ impropers ]
3086 ; ai aj ak al gromos type
3087 C4* O4* C5* C3* gi_2
3088 C3* C2* O3* C4* gi_2
3089 C1* N9 O4* C2* gi_2
3090 N9 C8 C4 C1* gi_1
3091 C4 N9 C8 N7 gi_1
3092 C8 N9 C4 C5 gi_1
3093 N9 C8 N7 C5 gi_1
3094 N9 C4 C5 N7 gi_1
3095 C8 N7 C5 C4 gi_1
3096 C4 N9 N3 C5 gi_1
3097 C5 C6 N7 C4 gi_1
3098 N3 C4 C5 C6 gi_1
3099 C4 C5 C6 N1 gi_1
3100 C5 C4 N3 C2 gi_1
3101 C5 C6 N1 C2 gi_1
3102 C4 N3 C2 N1 gi_1
3103 N3 C2 N1 C6 gi_1
3104 C6 C5 N1 N6 gi_1
3105 N6 H61 H62 C6 gi_1
3106 C2* O2* C3* C1* gi_2
3107 [ dihedrals ]
3108 ; ai aj ak al gromos type
3109 -C -O P O5* gd_11
3110 -C -O P O5* gd_9
3111 -O P O5* C5* gd_11
3112 -O P O5* C5* gd_9
3113 P O5* C5* C4* gd_14
3114 O5* C5* C4* C3* gd_17
3115 O5* C5* C4* C3* gd_7
3116 O5* C5* C4* O4* gd_8
3117 C5* C4* C3* C2* gd_17
3118 C5* C4* C3* O3* gd_7
3119 O4* C4* C3* C2* gd_7
3120 O4* C4* C3* O3* gd_8
3121 C4* C3* C2* C1* gd_17
3122 O3* C3* C2* C1* gd_7
3123 C4* C3* C2* O2* gd_7
3124 O3* C3* C2* O2* gd_8
3125 C3* C2* C1* O4* gd_17
3126 C3* C2* C1* O4* gd_7
3127 O2* C2* C1* N9 gd_7
3128 O2* C2* C1* O4* gd_8
3129 C1* C2* O2* H2* gd_12
3130 C3* C4* O4* C1* gd_14
3131 C4* O4* C1* C2* gd_14
3132 O4* C1* N9 C4 gd_6
3133 C5 C6 N6 H61 gd_4
3134 C4* C3* O3* +P gd_14
3136 [ GUA ]
3137 [ atoms ]
3138 P P 0.99000 0
3139 O1P OM -0.63500 0
3140 O2P OM -0.63500 0
3141 O5* OA -0.36000 0
3142 C5* CH2 0.00000 1
3143 C4* CH1 0.16000 2
3144 O4* OA -0.36000 2
3145 C1* CH1 0.20000 2
3146 N9 NR -0.20000 3
3147 C4 C 0.20000 3
3148 N3 NR -0.36000 4
3149 C2 C 0.36000 4
3150 N2 NT -0.83000 5
3151 H21 H 0.41500 5
3152 H22 H 0.41500 5
3153 N1 NR -0.28000 6
3154 H1 H 0.28000 6
3155 C6 C 0.38000 7
3156 O6 O -0.38000 7
3157 C5 C 0.00000 8
3158 N7 NR -0.36000 8
3159 C8 CR1 0.36000 8
3160 C2* CH1 0.15000 9
3161 O2* OA -0.54800 9
3162 H2* H 0.39800 9
3163 C3* CH1 0.000 10
3164 O3* OA -0.360 11
3165 [ bonds ]
3166 P O1P gb_23
3167 P O2P gb_23
3168 P O5* gb_27
3169 O5* C5* gb_19
3170 C5* C4* gb_25
3171 C4* O4* gb_19
3172 C4* C3* gb_25
3173 O4* C1* gb_19
3174 C1* N9 gb_21
3175 C1* C2* gb_25
3176 N9 C4 gb_9
3177 N9 C8 gb_9
3178 C4 N3 gb_11
3179 C4 C5 gb_15
3180 N3 C2 gb_11
3181 C2 N2 gb_8
3182 C2 N1 gb_16
3183 N2 H21 gb_2
3184 N2 H22 gb_2
3185 N1 H1 gb_2
3186 N1 C6 gb_16
3187 C6 O6 gb_4
3188 C6 C5 gb_15
3189 C5 N7 gb_9
3190 N7 C8 gb_9
3191 C2* O2* gb_19
3192 O2* H2* gb_1
3193 C2* C3* gb_25
3194 C3* O3* gb_19
3195 O3* +P gb_27
3196 [ exclusions ]
3197 ; ai aj
3198 C1* N3
3199 C1* C5
3200 C1* N7
3201 N9 C2
3202 N9 C6
3203 C4 N2
3204 C4 N1
3205 C4 O6
3206 N3 H1
3207 N3 C6
3208 N3 N7
3209 N3 C8
3210 C2 O6
3211 C2 C5
3212 N2 H1
3213 N2 C6
3214 N1 N7
3215 H1 O6
3216 H1 C5
3217 C6 C8
3218 O6 N7
3219 [ angles ]
3220 ; ai aj ak gromos type
3221 -O P O1P ga_13
3222 -O P O2P ga_13
3223 -O P O5* ga_4
3224 O1P P O2P ga_28
3225 O1P P O5* ga_13
3226 O2P P O5* ga_13
3227 P O5* C5* ga_25
3228 O5* C5* C4* ga_8
3229 C5* C4* O4* ga_8
3230 C5* C4* C3* ga_7
3231 O4* C4* C3* ga_8
3232 C4* O4* C1* ga_9
3233 O4* C1* N9 ga_8
3234 O4* C1* C2* ga_8
3235 N9 C1* C2* ga_8
3236 C1* N9 C4 ga_36
3237 C1* N9 C8 ga_36
3238 C4 N9 C8 ga_6
3239 N9 C4 N3 ga_38
3240 N9 C4 C5 ga_6
3241 N3 C4 C5 ga_26
3242 C4 N3 C2 ga_26
3243 N3 C2 N2 ga_26
3244 N3 C2 N1 ga_26
3245 N2 C2 N1 ga_26
3246 C2 N2 H21 ga_22
3247 C2 N2 H22 ga_22
3248 H21 N2 H22 ga_23
3249 C2 N1 H1 ga_24
3250 C2 N1 C6 ga_26
3251 H1 N1 C6 ga_24
3252 N1 C6 O6 ga_26
3253 N1 C6 C5 ga_26
3254 O6 C6 C5 ga_26
3255 C4 C5 C6 ga_26
3256 C4 C5 N7 ga_6
3257 C6 C5 N7 ga_38
3258 C5 N7 C8 ga_6
3259 N9 C8 N7 ga_6
3260 C1* C2* C3* ga_7
3261 C1* C2* O2* ga_8
3262 O2* C2* C3* ga_8
3263 C2* O2* H2* ga_11
3264 C4* C3* C2* ga_7
3265 C4* C3* O3* ga_8
3266 C2* C3* O3* ga_8
3267 C3* O3* +P ga_25
3268 [ impropers ]
3269 ; ai aj ak al gromos type
3270 C4* O4* C5* C3* gi_2
3271 C3* C2* O3* C4* gi_2
3272 C1* N9 O4* C2* gi_2
3273 N9 C8 C4 C1* gi_1
3274 C4 N9 C8 N7 gi_1
3275 C8 N9 C4 C5 gi_1
3276 N9 C8 N7 C5 gi_1
3277 N9 C4 C5 N7 gi_1
3278 C8 N7 C5 C4 gi_1
3279 C4 N9 N3 C5 gi_1
3280 C5 C6 N7 C4 gi_1
3281 N3 C4 C5 C6 gi_1
3282 C4 C5 C6 N1 gi_1
3283 C5 C4 N3 C2 gi_1
3284 C5 C6 N1 C2 gi_1
3285 C4 N3 C2 N1 gi_1
3286 N3 C2 N1 C6 gi_1
3287 C2 N1 N3 N2 gi_1
3288 N2 H21 H22 C2 gi_1
3289 N1 C6 C2 H1 gi_1
3290 C6 C5 N1 O6 gi_1
3291 C2* O2* C3* C1* gi_2
3292 [ dihedrals ]
3293 ; ai aj ak al gromos type
3294 -C -O P O5* gd_11
3295 -C -O P O5* gd_9
3296 -O P O5* C5* gd_11
3297 -O P O5* C5* gd_9
3298 P O5* C5* C4* gd_14
3299 O5* C5* C4* C3* gd_17
3300 O5* C5* C4* C3* gd_7
3301 O5* C5* C4* O4* gd_8
3302 C5* C4* C3* C2* gd_17
3303 C5* C4* C3* O3* gd_7
3304 O4* C4* C3* C2* gd_7
3305 O4* C4* C3* O3* gd_8
3306 C4* C3* C2* C1* gd_17
3307 O3* C3* C2* C1* gd_7
3308 C4* C3* C2* O2* gd_7
3309 O3* C3* C2* O2* gd_8
3310 C3* C2* C1* O4* gd_17
3311 C3* C2* C1* O4* gd_7
3312 O2* C2* C1* N9 gd_7
3313 O2* C2* C1* O4* gd_8
3314 C1* C2* O2* H2* gd_12
3315 C3* C4* O4* C1* gd_14
3316 C4* O4* C1* C2* gd_14
3317 O4* C1* N9 C4 gd_6
3318 N3 C2 N2 H21 gd_4
3319 C4* C3* O3* +P gd_14
3321 [ CYT ]
3322 [ atoms ]
3323 P P 0.99000 0
3324 O1P OM -0.63500 0
3325 O2P OM -0.63500 0
3326 O5* OA -0.36000 0
3327 C5* CH2 0.00000 1
3328 C4* CH1 0.16000 2
3329 O4* OA -0.36000 2
3330 C1* CH1 0.20000 2
3331 N1 NR -0.20000 3
3332 C6 CR1 0.20000 3
3333 C2 C 0.38000 4
3334 O2 O -0.38000 4
3335 N3 NR -0.36000 5
3336 C4 C 0.36000 5
3337 N4 NT -0.83000 6
3338 H41 H 0.41500 6
3339 H42 H 0.41500 6
3340 C5 CR1 0.00000 7
3341 C2* CH1 0.15000 8
3342 O2* OA -0.54800 8
3343 H2* H 0.39800 8
3344 C3* CH1 0.000 9
3345 O3* OA -0.360 10
3346 [ bonds ]
3347 P O1P gb_23
3348 P O2P gb_23
3349 P O5* gb_27
3350 O5* C5* gb_19
3351 C5* C4* gb_25
3352 C4* O4* gb_19
3353 C4* C3* gb_25
3354 O4* C1* gb_19
3355 C1* N1 gb_22
3356 C1* C2* gb_25
3357 N1 C6 gb_16
3358 N1 C2 gb_16
3359 C6 C5 gb_15
3360 C2 O2 gb_4
3361 C2 N3 gb_11
3362 N3 C4 gb_11
3363 C4 N4 gb_8
3364 C4 C5 gb_15
3365 N4 H41 gb_2
3366 N4 H42 gb_2
3367 C2* O2* gb_19
3368 O2* H2* gb_1
3369 C2* C3* gb_25
3370 C3* O3* gb_19
3371 O3* +P gb_27
3372 [ exclusions ]
3373 ; ai aj
3374 C1* O2
3375 C1* N3
3376 C1* C5
3377 N1 C4
3378 C6 O2
3379 C6 N3
3380 C6 N4
3381 C2 N4
3382 C2 C5
3383 O2 C4
3384 [ angles ]
3385 ; ai aj ak gromos type
3386 -O P O1P ga_13
3387 -O P O2P ga_13
3388 -O P O5* ga_4
3389 O1P P O2P ga_28
3390 O1P P O5* ga_13
3391 O2P P O5* ga_13
3392 P O5* C5* ga_25
3393 O5* C5* C4* ga_8
3394 C5* C4* O4* ga_8
3395 C5* C4* C3* ga_7
3396 O4* C4* C3* ga_8
3397 C4* O4* C1* ga_9
3398 O4* C1* N1 ga_8
3399 O4* C1* C2* ga_8
3400 N1 C1* C2* ga_7
3401 C1* N1 C6 ga_26
3402 C1* N1 C2 ga_26
3403 C6 N1 C2 ga_26
3404 N1 C6 C5 ga_26
3405 N1 C2 O2 ga_26
3406 N1 C2 N3 ga_26
3407 O2 C2 N3 ga_26
3408 C2 N3 C4 ga_26
3409 N3 C4 N4 ga_26
3410 N3 C4 C5 ga_26
3411 N4 C4 C5 ga_26
3412 C4 N4 H41 ga_22
3413 C4 N4 H42 ga_22
3414 H41 N4 H42 ga_23
3415 C6 C5 C4 ga_26
3416 C1* C2* C3* ga_7
3417 C1* C2* O2* ga_8
3418 O2* C2* C3* ga_8
3419 C2* O2* H2* ga_11
3420 C4* C3* C2* ga_7
3421 C4* C3* O3* ga_8
3422 C2* C3* O3* ga_8
3423 C3* O3* +P ga_25
3424 [ impropers ]
3425 ; ai aj ak al gromos type
3426 C4* O4* C5* C3* gi_2
3427 C3* C2* O3* C4* gi_2
3428 C1* N1 O4* C2* gi_2
3429 N1 C6 C2 C1* gi_1
3430 C2 N1 C6 C5 gi_1
3431 C6 N1 C2 N3 gi_1
3432 N1 C6 C5 C4 gi_1
3433 N1 C2 N3 C4 gi_1
3434 C6 C5 C4 N3 gi_1
3435 C2 N3 C4 C5 gi_1
3436 C2 N3 N1 O2 gi_1
3437 C4 C5 N3 N4 gi_1
3438 N4 H41 H42 C4 gi_1
3439 C2* O2* C3* C1* gi_2
3440 [ dihedrals ]
3441 ; ai aj ak al gromos type
3442 -C -O P O5* gd_11
3443 -C -O P O5* gd_9
3444 -O P O5* C5* gd_11
3445 -O P O5* C5* gd_9
3446 P O5* C5* C4* gd_14
3447 O5* C5* C4* C3* gd_17
3448 O5* C5* C4* C3* gd_7
3449 O5* C5* C4* O4* gd_8
3450 C5* C4* C3* C2* gd_17
3451 C5* C4* C3* O3* gd_7
3452 O4* C4* C3* C2* gd_7
3453 O4* C4* C3* O3* gd_8
3454 C4* C3* C2* C1* gd_17
3455 O3* C3* C2* C1* gd_7
3456 C4* C3* C2* O2* gd_7
3457 O3* C3* C2* O2* gd_8
3458 C3* C2* C1* O4* gd_17
3459 C3* C2* C1* O4* gd_7
3460 O2* C2* C1* N1 gd_7
3461 O2* C2* C1* O4* gd_8
3462 C1* C2* O2* H2* gd_12
3463 C3* C4* O4* C1* gd_14
3464 C4* O4* C1* C2* gd_14
3465 O4* C1* N1 C2 gd_6
3466 N3 C4 N4 H41 gd_4
3467 C4* C3* O3* +P gd_14
3469 [ URA ]
3470 [ atoms ]
3471 P P 0.99000 0
3472 O1P OM -0.63500 0
3473 O2P OM -0.63500 0
3474 O5* OA -0.36000 0
3475 C5* CH2 0.00000 1
3476 C4* CH1 0.16000 2
3477 O4* OA -0.36000 2
3478 C1* CH1 0.20000 2
3479 N1 NR -0.20000 3
3480 C6 CR1 0.20000 3
3481 C2 C 0.38000 4
3482 O2 O -0.38000 4
3483 N3 NR -0.28000 5
3484 H3 H 0.28000 5
3485 C4 C 0.38000 6
3486 O4 O -0.38000 6
3487 C5 CR1 0.00000 7
3488 C2* CH1 0.15000 8
3489 O2* OA -0.54800 8
3490 H2* H 0.39800 8
3491 C3* CH1 0.000 9
3492 O3* OA -0.360 10
3493 [ bonds ]
3494 P O1P gb_23
3495 P O2P gb_23
3496 P O5* gb_27
3497 O5* C5* gb_19
3498 C5* C4* gb_25
3499 C4* O4* gb_19
3500 C4* C3* gb_25
3501 O4* C1* gb_19
3502 C1* N1 gb_22
3503 C1* C2* gb_25
3504 N1 C6 gb_16
3505 N1 C2 gb_16
3506 C6 C5 gb_15
3507 C2 O2 gb_4
3508 C2 N3 gb_16
3509 N3 H3 gb_2
3510 N3 C4 gb_16
3511 C4 O4 gb_4
3512 C4 C5 gb_15
3513 C2* O2* gb_19
3514 O2* H2* gb_1
3515 C2* C3* gb_25
3516 C3* O3* gb_19
3517 O3* +P gb_27
3518 [ exclusions ]
3519 ; ai aj
3520 C1* O2
3521 C1* N3
3522 C1* C5
3523 N1 H3
3524 N1 C4
3525 C6 O2
3526 C6 N3
3527 C6 O4
3528 C2 O4
3529 C2 C5
3530 O2 H3
3531 O2 C4
3532 H3 O4
3533 H3 C5
3534 [ angles ]
3535 ; ai aj ak gromos type
3536 -O P O1P ga_13
3537 -O P O2P ga_13
3538 -O P O5* ga_4
3539 O1P P O2P ga_28
3540 O1P P O5* ga_13
3541 O2P P O5* ga_13
3542 P O5* C5* ga_25
3543 O5* C5* C4* ga_8
3544 C5* C4* O4* ga_8
3545 C5* C4* C3* ga_7
3546 O4* C4* C3* ga_8
3547 C4* O4* C1* ga_9
3548 O4* C1* N1 ga_8
3549 O4* C1* C2* ga_8
3550 N1 C1* C2* ga_7
3551 C1* N1 C6 ga_26
3552 C1* N1 C2 ga_26
3553 C6 N1 C2 ga_26
3554 N1 C6 C5 ga_26
3555 N1 C2 O2 ga_26
3556 N1 C2 N3 ga_26
3557 O2 C2 N3 ga_26
3558 C2 N3 H3 ga_24
3559 C2 N3 C4 ga_26
3560 H3 N3 C4 ga_24
3561 N3 C4 O4 ga_26
3562 N3 C4 C5 ga_26
3563 O4 C4 C5 ga_26
3564 C6 C5 C4 ga_26
3565 C1* C2* C3* ga_7
3566 C1* C2* O2* ga_8
3567 O2* C2* C3* ga_8
3568 C2* O2* H2* ga_11
3569 C4* C3* C2* ga_7
3570 C4* C3* O3* ga_8
3571 C2* C3* O3* ga_8
3572 C3* O3* +P ga_25
3573 [ impropers ]
3574 ; ai aj ak al gromos type
3575 C4* O4* C5* C3* gi_2
3576 C3* C2* O3* C4* gi_2
3577 C1* N1 O4* C2* gi_2
3578 N1 C6 C2 C1* gi_1
3579 C2 N1 C6 C5 gi_1
3580 C6 N1 C2 N3 gi_1
3581 N1 C6 C5 C4 gi_1
3582 N1 C2 N3 C4 gi_1
3583 C6 C5 C4 N3 gi_1
3584 C2 N3 C4 C5 gi_1
3585 C2 N3 N1 O2 gi_1
3586 N3 C4 C2 H3 gi_1
3587 C4 C5 N3 O4 gi_1
3588 C2* O2* C3* C1* gi_2
3589 [ dihedrals ]
3590 ; ai aj ak al gromos type
3591 -C -O P O5* gd_11
3592 -C -O P O5* gd_9
3593 -O P O5* C5* gd_11
3594 -O P O5* C5* gd_9
3595 P O5* C5* C4* gd_14
3596 O5* C5* C4* C3* gd_17
3597 O5* C5* C4* C3* gd_7
3598 O5* C5* C4* O4* gd_8
3599 C5* C4* C3* C2* gd_17
3600 C5* C4* C3* O3* gd_7
3601 O4* C4* C3* C2* gd_7
3602 O4* C4* C3* O3* gd_8
3603 C4* C3* C2* C1* gd_17
3604 O3* C3* C2* C1* gd_7
3605 C4* C3* C2* O2* gd_7
3606 O3* C3* C2* O2* gd_8
3607 C3* C2* C1* O4* gd_17
3608 C3* C2* C1* O4* gd_7
3609 O2* C2* C1* N1 gd_7
3610 O2* C2* C1* O4* gd_8
3611 C1* C2* O2* H2* gd_12
3612 C3* C4* O4* C1* gd_14
3613 C4* O4* C1* C2* gd_14
3614 O4* C1* N1 C2 gd_6
3615 C4* C3* O3* +P gd_14
3617 [ FMNO ]
3618 [ atoms ]
3619 FC9A C 0.20000 0
3620 FN10 NR -0.20000 0
3621 FC10A C 0.36000 1
3622 FN1 NR -0.36000 1
3623 FC2 C 0.38000 2
3624 FO2 O -0.38000 2
3625 FN3 NR -0.28000 3
3626 FH3 H 0.28000 3
3627 FC4 C 0.38000 4
3628 FO4 O -0.38000 4
3629 FC4A C 0.18000 5
3630 FN5 NR -0.28000 5
3631 FC5A C 0.10000 5
3632 FC6 CR1 0.00000 6
3633 FC7 C 0.00000 7
3634 FCM7 CH3 0.00000 7
3635 FC8 C 0.00000 8
3636 FCM8 CH3 0.00000 8
3637 FC9 CR1 0.00000 9
3638 FCA CH2 0.00000 10
3639 FCB CH1 0.15000 11
3640 FOB OA -0.54800 11
3641 FHB H 0.39800 11
3642 FCG CH1 0.15000 12
3643 FOG OA -0.54800 12
3644 FHG H 0.39800 12
3645 FCD CH1 0.15000 13
3646 FOD OA -0.54800 13
3647 FHD H 0.39800 13
3648 FCE CH2 0.15000 14
3649 FOZ OA -0.36000 14
3650 FPH P 0.63000 14
3651 FOH OA -0.54800 14
3652 FHH H 0.39800 14
3653 FOT1 OM -0.63500 14
3654 FOT2 OM -0.63500 14
3655 [ bonds ]
3656 FC9A FN10 gb_16
3657 FC9A FC5A gb_15
3658 FC9A FC9 gb_15
3659 FN10 FC10A gb_16
3660 FN10 FCA gb_22
3661 FC10A FN1 gb_11
3662 FC10A FC4A gb_15
3663 FN1 FC2 gb_11
3664 FC2 FO2 gb_4
3665 FC2 FN3 gb_16
3666 FN3 FH3 gb_2
3667 FN3 FC4 gb_16
3668 FC4 FO4 gb_4
3669 FC4 FC4A gb_15
3670 FC4A FN5 gb_11
3671 FN5 FC5A gb_11
3672 FC5A FC6 gb_15
3673 FC6 FC7 gb_15
3674 FC7 FCM7 gb_26
3675 FC7 FC8 gb_15
3676 FC8 FCM8 gb_26
3677 FC8 FC9 gb_15
3678 FCA FCB gb_26
3679 FCB FOB gb_17
3680 FCB FCG gb_26
3681 FOB FHB gb_1
3682 FCG FOG gb_17
3683 FCG FCD gb_26
3684 FOG FHG gb_1
3685 FCD FOD gb_17
3686 FCD FCE gb_26
3687 FOD FHD gb_1
3688 FCE FOZ gb_17
3689 FOZ FPH gb_27
3690 FPH FOH gb_27
3691 FPH FOT1 gb_23
3692 FPH FOT2 gb_23
3693 FOH FHH gb_1
3694 [ exclusions ]
3695 ; ai aj
3696 FC9A FN1
3697 FC9A FC4A
3698 FC9A FC7
3699 FC9A FCM8
3700 FN10 FC2
3701 FN10 FC4
3702 FN10 FN5
3703 FN10 FC6
3704 FN10 FC8
3705 FC10A FO2
3706 FC10A FN3
3707 FC10A FO4
3708 FC10A FC5A
3709 FC10A FC9
3710 FN1 FH3
3711 FN1 FC4
3712 FN1 FN5
3713 FN1 FCA
3714 FC2 FO4
3715 FC2 FC4A
3716 FO2 FH3
3717 FO2 FC4
3718 FN3 FN5
3719 FH3 FO4
3720 FH3 FC4A
3721 FC4 FC5A
3722 FO4 FN5
3723 FC4A FC6
3724 FC4A FCA
3725 FN5 FC7
3726 FN5 FC9
3727 FC5A FCM7
3728 FC5A FC8
3729 FC5A FCA
3730 FC6 FCM8
3731 FC6 FC9
3732 FCM7 FCM8
3733 FCM7 FC9
3734 FC9 FCA
3735 FOZ FHH
3736 FHH FOT1
3737 FHH FOT2
3738 [ angles ]
3739 ; ai aj ak gromos type
3740 FN10 FC9A FC5A ga_26
3741 FN10 FC9A FC9 ga_26
3742 FC5A FC9A FC9 ga_26
3743 FC9A FN10 FC10A ga_26
3744 FC9A FN10 FCA ga_26
3745 FC10A FN10 FCA ga_26
3746 FN10 FC10A FN1 ga_26
3747 FN10 FC10A FC4A ga_26
3748 FN1 FC10A FC4A ga_26
3749 FC10A FN1 FC2 ga_26
3750 FN1 FC2 FO2 ga_26
3751 FN1 FC2 FN3 ga_26
3752 FO2 FC2 FN3 ga_26
3753 FC2 FN3 FH3 ga_24
3754 FC2 FN3 FC4 ga_26
3755 FH3 FN3 FC4 ga_24
3756 FN3 FC4 FO4 ga_26
3757 FN3 FC4 FC4A ga_26
3758 FO4 FC4 FC4A ga_26
3759 FC10A FC4A FC4 ga_26
3760 FC10A FC4A FN5 ga_26
3761 FC4 FC4A FN5 ga_26
3762 FC4A FN5 FC5A ga_26
3763 FC9A FC5A FN5 ga_26
3764 FC9A FC5A FC6 ga_26
3765 FN5 FC5A FC6 ga_26
3766 FC5A FC6 FC7 ga_26
3767 FC6 FC7 FCM7 ga_26
3768 FC6 FC7 FC8 ga_26
3769 FCM7 FC7 FC8 ga_26
3770 FC7 FC8 FCM8 ga_26
3771 FC7 FC8 FC9 ga_26
3772 FCM8 FC8 FC9 ga_26
3773 FC9A FC9 FC8 ga_26
3774 FN10 FCA FCB ga_14
3775 FCA FCB FOB ga_14
3776 FCA FCB FCG ga_14
3777 FOB FCB FCG ga_12
3778 FCB FOB FHB ga_11
3779 FCB FCG FOG ga_12
3780 FCB FCG FCD ga_14
3781 FOG FCG FCD ga_12
3782 FCG FOG FHG ga_11
3783 FCG FCD FOD ga_12
3784 FCG FCD FCE ga_14
3785 FOD FCD FCE ga_14
3786 FCD FOD FHD ga_11
3787 FCD FCE FOZ ga_14
3788 FCE FOZ FPH ga_25
3789 FOZ FPH FOH ga_4
3790 FOZ FPH FOT1 ga_13
3791 FOZ FPH FOT2 ga_13
3792 FOH FPH FOT1 ga_13
3793 FOH FPH FOT2 ga_13
3794 FOT1 FPH FOT2 ga_28
3795 FPH FOH FHH ga_11
3796 [ impropers ]
3797 ; ai aj ak al gromos type
3798 FC2 FN1 FN3 FO2 gi_1
3799 FN3 FC2 FC4 FH3 gi_1
3800 FC4 FN3 FC4A FO4 gi_1
3801 FN1 FC2 FN3 FC4 gi_1
3802 FC2 FN3 FC4 FC4A gi_1
3803 FN3 FC4 FC4A FC10A gi_1
3804 FC4 FC4A FC10A FN1 gi_1
3805 FC4A FC10A FN1 FC2 gi_1
3806 FC10A FN1 FC2 FN3 gi_1
3807 FC4A FC4 FN5 FC10A gi_1
3808 FC10A FN1 FN10 FC4A gi_1
3809 FN10 FC10A FC4A FN5 gi_1
3810 FN10 FC9A FC5A FN5 gi_1
3811 FC5A FN5 FC6 FC9A gi_1
3812 FC9A FN10 FC9 FC5A gi_1
3813 FC5A FC6 FC7 FC8 gi_1
3814 FC6 FC7 FC8 FC9 gi_1
3815 FC7 FC8 FC9 FC9A gi_1
3816 FC8 FC9 FC9A FC5A gi_1
3817 FC9 FC9A FC5A FC6 gi_1
3818 FC9A FC5A FC6 FC7 gi_1
3819 FC7 FC6 FC8 FCM7 gi_1
3820 FC8 FC7 FC9 FCM8 gi_1
3821 FCB FOB FCG FCA gi_2
3822 FCG FOG FCD FCB gi_2
3823 FCD FOD FCE FCG gi_2
3824 [ dihedrals ]
3825 ; ai aj ak al gromos type
3826 FC10A FC4A FN5 FC5A gd_4
3827 FC4A FN5 FC5A FC9A gd_4
3828 FC5A FC9A FN10 FC10A gd_4
3829 FC9A FN10 FC10A FC4A gd_4
3830 FC9A FN10 FCA FCB gd_20
3831 FN10 FCA FCB FCG gd_17
3832 FCA FCB FOB FHB gd_12
3833 FCA FCB FCG FCD gd_17
3834 FCB FCG FOG FHG gd_12
3835 FCB FCG FCD FCE gd_17
3836 FCG FCD FOD FHD gd_12
3837 FCG FCD FCE FOZ gd_17
3838 FCD FCE FOZ FPH gd_14
3839 FCE FOZ FPH FOH gd_11
3840 FCE FOZ FPH FOH gd_9
3841 FOZ FPH FOH FHH gd_11
3842 FOZ FPH FOH FHH gd_9
3844 [ FMNS ]
3845 [ atoms ]
3846 FC9A C 0.20000 0
3847 FN10 NR -0.20000 0
3848 FC10A C 0.36000 1
3849 FN1 NR -0.36000 1
3850 FC2 C 0.38000 2
3851 FO2 O -0.38000 2
3852 FN3 NR -0.28000 3
3853 FH3 H 0.28000 3
3854 FC4 C 0.38000 4
3855 FO4 O -0.38000 4
3856 FC4A C 0.00000 5
3857 FN5 NR -0.28000 6
3858 FH5 H 0.28000 6
3859 FC5A C 0.00000 7
3860 FC6 CR1 0.00000 8
3861 FC7 C 0.00000 9
3862 FCM7 CH3 0.00000 9
3863 FC8 C 0.00000 10
3864 FCM8 CH3 0.00000 10
3865 FC9 CR1 0.00000 11
3866 FCA CH2 0.00000 12
3867 FCB CH1 0.15000 13
3868 FOB OA -0.54800 13
3869 FHB H 0.39800 13
3870 FCG CH1 0.15000 14
3871 FOG OA -0.54800 14
3872 FHG H 0.39800 14
3873 FCD CH1 0.15000 15
3874 FOD OA -0.54800 15
3875 FHD H 0.39800 15
3876 FCE CH2 0.15000 16
3877 FOZ OA -0.36000 16
3878 FPH P 0.63000 16
3879 FOH OA -0.54800 16
3880 FHH H 0.39800 16
3881 FOT1 OM -0.63500 16
3882 FOT2 OM -0.63500 16
3883 [ bonds ]
3884 FC9A FN10 gb_16
3885 FC9A FC5A gb_15
3886 FC9A FC9 gb_15
3887 FN10 FC10A gb_16
3888 FN10 FCA gb_22
3889 FC10A FN1 gb_11
3890 FC10A FC4A gb_15
3891 FN1 FC2 gb_11
3892 FC2 FO2 gb_4
3893 FC2 FN3 gb_16
3894 FN3 FH3 gb_2
3895 FN3 FC4 gb_16
3896 FC4 FO4 gb_4
3897 FC4 FC4A gb_15
3898 FC4A FN5 gb_16
3899 FN5 FH5 gb_2
3900 FN5 FC5A gb_16
3901 FC5A FC6 gb_15
3902 FC6 FC7 gb_15
3903 FC7 FCM7 gb_26
3904 FC7 FC8 gb_15
3905 FC8 FCM8 gb_26
3906 FC8 FC9 gb_15
3907 FCA FCB gb_26
3908 FCB FOB gb_17
3909 FCB FCG gb_26
3910 FOB FHB gb_1
3911 FCG FOG gb_17
3912 FCG FCD gb_26
3913 FOG FHG gb_1
3914 FCD FOD gb_17
3915 FCD FCE gb_26
3916 FOD FHD gb_1
3917 FCE FOZ gb_17
3918 FOZ FPH gb_27
3919 FPH FOH gb_27
3920 FPH FOT1 gb_23
3921 FPH FOT2 gb_23
3922 FOH FHH gb_1
3923 [ exclusions ]
3924 ; ai aj
3925 FC9A FN1
3926 FC9A FC4A
3927 FC9A FH5
3928 FC9A FC7
3929 FC9A FCM8
3930 FN10 FC2
3931 FN10 FC4
3932 FN10 FN5
3933 FN10 FC6
3934 FN10 FC8
3935 FC10A FO2
3936 FC10A FN3
3937 FC10A FO4
3938 FC10A FH5
3939 FC10A FC5A
3940 FC10A FC9
3941 FN1 FH3
3942 FN1 FC4
3943 FN1 FN5
3944 FN1 FCA
3945 FC2 FO4
3946 FC2 FC4A
3947 FO2 FH3
3948 FO2 FC4
3949 FN3 FN5
3950 FH3 FO4
3951 FH3 FC4A
3952 FC4 FH5
3953 FC4 FC5A
3954 FO4 FN5
3955 FC4A FC6
3956 FC4A FCA
3957 FN5 FC7
3958 FN5 FC9
3959 FH5 FC6
3960 FC5A FCM7
3961 FC5A FC8
3962 FC5A FCA
3963 FC6 FCM8
3964 FC6 FC9
3965 FCM7 FCM8
3966 FCM7 FC9
3967 FC9 FCA
3968 FOZ FHH
3969 FHH FOT1
3970 FHH FOT2
3971 [ angles ]
3972 ; ai aj ak gromos type
3973 FN10 FC9A FC5A ga_26
3974 FN10 FC9A FC9 ga_26
3975 FC5A FC9A FC9 ga_26
3976 FC9A FN10 FC10A ga_26
3977 FC9A FN10 FCA ga_26
3978 FC10A FN10 FCA ga_26
3979 FN10 FC10A FN1 ga_26
3980 FN10 FC10A FC4A ga_26
3981 FN1 FC10A FC4A ga_26
3982 FC10A FN1 FC2 ga_26
3983 FN1 FC2 FO2 ga_26
3984 FN1 FC2 FN3 ga_26
3985 FO2 FC2 FN3 ga_26
3986 FC2 FN3 FH3 ga_24
3987 FC2 FN3 FC4 ga_26
3988 FH3 FN3 FC4 ga_24
3989 FN3 FC4 FO4 ga_26
3990 FN3 FC4 FC4A ga_26
3991 FO4 FC4 FC4A ga_26
3992 FC10A FC4A FC4 ga_26
3993 FC10A FC4A FN5 ga_26
3994 FC4 FC4A FN5 ga_26
3995 FC4A FN5 FH5 ga_24
3996 FC4A FN5 FC5A ga_26
3997 FH5 FN5 FC5A ga_24
3998 FC9A FC5A FN5 ga_26
3999 FC9A FC5A FC6 ga_26
4000 FN5 FC5A FC6 ga_26
4001 FC5A FC6 FC7 ga_26
4002 FC6 FC7 FCM7 ga_26
4003 FC6 FC7 FC8 ga_26
4004 FCM7 FC7 FC8 ga_26
4005 FC7 FC8 FCM8 ga_26
4006 FC7 FC8 FC9 ga_26
4007 FCM8 FC8 FC9 ga_26
4008 FC9A FC9 FC8 ga_26
4009 FN10 FCA FCB ga_14
4010 FCA FCB FOB ga_14
4011 FCA FCB FCG ga_14
4012 FOB FCB FCG ga_12
4013 FCB FOB FHB ga_11
4014 FCB FCG FOG ga_12
4015 FCB FCG FCD ga_14
4016 FOG FCG FCD ga_12
4017 FCG FOG FHG ga_11
4018 FCG FCD FOD ga_12
4019 FCG FCD FCE ga_14
4020 FOD FCD FCE ga_14
4021 FCD FOD FHD ga_11
4022 FCD FCE FOZ ga_14
4023 FCE FOZ FPH ga_25
4024 FOZ FPH FOH ga_4
4025 FOZ FPH FOT1 ga_13
4026 FOZ FPH FOT2 ga_13
4027 FOH FPH FOT1 ga_13
4028 FOH FPH FOT2 ga_13
4029 FOT1 FPH FOT2 ga_28
4030 FPH FOH FHH ga_11
4031 [ impropers ]
4032 ; ai aj ak al gromos type
4033 FC2 FN1 FN3 FO2 gi_1
4034 FN3 FC2 FC4 FH3 gi_1
4035 FC4 FN3 FC4A FO4 gi_1
4036 FN1 FC2 FN3 FC4 gi_1
4037 FC2 FN3 FC4 FC4A gi_1
4038 FN3 FC4 FC4A FC10A gi_1
4039 FC4 FC4A FC10A FN1 gi_1
4040 FC4A FC10A FN1 FC2 gi_1
4041 FC10A FN1 FC2 FN3 gi_1
4042 FC4A FC4 FN5 FC10A gi_1
4043 FC10A FN1 FN10 FC4A gi_1
4044 FN10 FC10A FC4A FN5 gi_1
4045 FN10 FC9A FC5A FN5 gi_1
4046 FC5A FN5 FC6 FC9A gi_1
4047 FC9A FN10 FC9 FC5A gi_1
4048 FC5A FC6 FC7 FC8 gi_1
4049 FC6 FC7 FC8 FC9 gi_1
4050 FC7 FC8 FC9 FC9A gi_1
4051 FC8 FC9 FC9A FC5A gi_1
4052 FC9 FC9A FC5A FC6 gi_1
4053 FC9A FC5A FC6 FC7 gi_1
4054 FC7 FC6 FC8 FCM7 gi_1
4055 FC8 FC7 FC9 FCM8 gi_1
4056 FCB FOB FCG FCA gi_2
4057 FCG FOG FCD FCB gi_2
4058 FCD FOD FCE FCG gi_2
4059 [ dihedrals ]
4060 ; ai aj ak al gromos type
4061 FC10A FC4A FN5 FC5A gd_4
4062 FC4A FN5 FC5A FC9A gd_4
4063 FC5A FC9A FN10 FC10A gd_4
4064 FC9A FN10 FC10A FC4A gd_4
4065 FC9A FN10 FCA FCB gd_20
4066 FN10 FCA FCB FCG gd_17
4067 FCA FCB FOB FHB gd_12
4068 FCA FCB FCG FCD gd_17
4069 FCB FCG FOG FHG gd_12
4070 FCB FCG FCD FCE gd_17
4071 FCG FCD FOD FHD gd_12
4072 FCG FCD FCE FOZ gd_17
4073 FCD FCE FOZ FPH gd_14
4074 FCE FOZ FPH FOH gd_11
4075 FCE FOZ FPH FOH gd_9
4076 FOZ FPH FOH FHH gd_11
4077 FOZ FPH FOH FHH gd_9
4079 [ FMNR ]
4080 [ atoms ]
4081 FC9A C 0.10000 0
4082 FN10 NR -0.20000 0
4083 FC10A C 0.10000 0
4084 FN1 NR -0.28000 1
4085 FH1 H 0.28000 1
4086 FC2 C 0.38000 2
4087 FO2 O -0.38000 2
4088 FN3 NR -0.28000 3
4089 FH3 H 0.28000 3
4090 FC4 C 0.38000 4
4091 FO4 O -0.38000 4
4092 FC4A C 0.00000 5
4093 FN5 NR -0.28000 6
4094 FH5 H 0.28000 6
4095 FC5A C 0.00000 7
4096 FC6 CR1 0.00000 8
4097 FC7 C 0.00000 9
4098 FCM7 CH3 0.00000 9
4099 FC8 C 0.00000 10
4100 FCM8 CH3 0.00000 10
4101 FC9 CR1 0.00000 11
4102 FCA CH2 0.00000 12
4103 FCB CH1 0.15000 13
4104 FOB OA -0.54800 13
4105 FHB H 0.39800 13
4106 FCG CH1 0.15000 14
4107 FOG OA -0.54800 14
4108 FHG H 0.39800 14
4109 FCD CH1 0.15000 15
4110 FOD OA -0.54800 15
4111 FHD H 0.39800 15
4112 FCE CH2 0.15000 16
4113 FOZ OA -0.36000 16
4114 FPH P 0.63000 16
4115 FOH OA -0.54800 16
4116 FHH H 0.39800 16
4117 FOT1 OM -0.63500 16
4118 FOT2 OM -0.63500 16
4119 [ bonds ]
4120 FC9A FN10 gb_16
4121 FC9A FC5A gb_15
4122 FC9A FC9 gb_15
4123 FN10 FC10A gb_16
4124 FN10 FCA gb_22
4125 FC10A FN1 gb_16
4126 FC10A FC4A gb_15
4127 FN1 FH1 gb_2
4128 FN1 FC2 gb_16
4129 FC2 FO2 gb_14
4130 FC2 FN3 gb_16
4131 FN3 FH3 gb_2
4132 FN3 FC4 gb_16
4133 FC4 FO4 gb_4
4134 FC4 FC4A gb_15
4135 FC4A FN5 gb_16
4136 FN5 FH5 gb_2
4137 FN5 FC5A gb_16
4138 FC5A FC6 gb_15
4139 FC6 FC7 gb_15
4140 FC7 FCM7 gb_26
4141 FC7 FC8 gb_15
4142 FC8 FCM8 gb_26
4143 FC8 FC9 gb_15
4144 FCA FCB gb_26
4145 FCB FOB gb_17
4146 FCB FCG gb_26
4147 FOB FHB gb_1
4148 FCG FOG gb_17
4149 FCG FCD gb_26
4150 FOG FHG gb_1
4151 FCD FOD gb_17
4152 FCD FCE gb_26
4153 FOD FHD gb_1
4154 FCE FOZ gb_17
4155 FOZ FPH gb_27
4156 FPH FOH gb_27
4157 FPH FOT1 gb_23
4158 FPH FOT2 gb_23
4159 FOH FHH gb_1
4160 [ exclusions ]
4161 ; ai aj
4162 FC9A FN1
4163 FC9A FC4A
4164 FC9A FH5
4165 FC9A FC7
4166 FC9A FCM8
4167 FN10 FH1
4168 FN10 FC2
4169 FN10 FC4
4170 FN10 FN5
4171 FN10 FC6
4172 FN10 FC8
4173 FC10A FO2
4174 FC10A FN3
4175 FC10A FO4
4176 FC10A FH5
4177 FC10A FC5A
4178 FC10A FC9
4179 FN1 FH3
4180 FN1 FC4
4181 FN1 FN5
4182 FN1 FCA
4183 FH1 FO2
4184 FH1 FN3
4185 FH1 FC4A
4186 FC2 FO4
4187 FC2 FC4A
4188 FO2 FH3
4189 FO2 FC4
4190 FN3 FN5
4191 FH3 FO4
4192 FH3 FC4A
4193 FC4 FH5
4194 FC4 FC5A
4195 FO4 FN5
4196 FC4A FC6
4197 FC4A FCA
4198 FN5 FC7
4199 FN5 FC9
4200 FH5 FC6
4201 FC5A FCM7
4202 FC5A FC8
4203 FC5A FCA
4204 FC6 FCM8
4205 FC6 FC9
4206 FCM7 FCM8
4207 FCM7 FC9
4208 FC9 FCA
4209 FOZ FHH
4210 FHH FOT1
4211 FHH FOT2
4212 FOT1 +N
4213 [ angles ]
4214 ; ai aj ak gromos type
4215 FN10 FC9A FC5A ga_26
4216 FN10 FC9A FC9 ga_26
4217 FC5A FC9A FC9 ga_26
4218 FC9A FN10 FC10A ga_26
4219 FC9A FN10 FCA ga_26
4220 FC10A FN10 FCA ga_26
4221 FN10 FC10A FN1 ga_26
4222 FN10 FC10A FC4A ga_26
4223 FN1 FC10A FC4A ga_26
4224 FC10A FN1 FH1 ga_24
4225 FC10A FN1 FC2 ga_26
4226 FH1 FN1 FC2 ga_24
4227 FN1 FC2 FO2 ga_26
4228 FN1 FC2 FN3 ga_26
4229 FO2 FC2 FN3 ga_26
4230 FC2 FN3 FH3 ga_24
4231 FC2 FN3 FC4 ga_26
4232 FH3 FN3 FC4 ga_24
4233 FN3 FC4 FO4 ga_26
4234 FN3 FC4 FC4A ga_26
4235 FO4 FC4 FC4A ga_26
4236 FC10A FC4A FC4 ga_26
4237 FC10A FC4A FN5 ga_26
4238 FC4 FC4A FN5 ga_26
4239 FC4A FN5 FH5 ga_24
4240 FC4A FN5 FC5A ga_26
4241 FH5 FN5 FC5A ga_24
4242 FC9A FC5A FN5 ga_26
4243 FC9A FC5A FC6 ga_26
4244 FN5 FC5A FC6 ga_26
4245 FC5A FC6 FC7 ga_26
4246 FC6 FC7 FCM7 ga_26
4247 FC6 FC7 FC8 ga_26
4248 FCM7 FC7 FC8 ga_26
4249 FC7 FC8 FCM8 ga_26
4250 FC7 FC8 FC9 ga_26
4251 FCM8 FC8 FC9 ga_26
4252 FC9A FC9 FC8 ga_26
4253 FN10 FCA FCB ga_14
4254 FCA FCB FOB ga_14
4255 FCA FCB FCG ga_14
4256 FOB FCB FCG ga_12
4257 FCB FOB FHB ga_11
4258 FCB FCG FOG ga_12
4259 FCB FCG FCD ga_14
4260 FOG FCG FCD ga_12
4261 FCG FOG FHG ga_11
4262 FCG FCD FOD ga_12
4263 FCG FCD FCE ga_14
4264 FOD FCD FCE ga_14
4265 FCD FOD FHD ga_11
4266 FCD FCE FOZ ga_14
4267 FCE FOZ FPH ga_25
4268 FOZ FPH FOH ga_4
4269 FOZ FPH FOT1 ga_13
4270 FOZ FPH FOT2 ga_13
4271 FOH FPH FOT1 ga_13
4272 FOH FPH FOT2 ga_13
4273 FOT1 FPH FOT2 ga_28
4274 FPH FOH FHH ga_11
4275 [ impropers ]
4276 ; ai aj ak al gromos type
4277 FN1 FC10A FC2 FH1 gi_1
4278 FC2 FN1 FN3 FO2 gi_1
4279 FN3 FC2 FC4 FH3 gi_1
4280 FC4 FN3 FC4A FO4 gi_1
4281 FN1 FC2 FN3 FC4 gi_1
4282 FC2 FN3 FC4 FC4A gi_1
4283 FN3 FC4 FC4A FC10A gi_1
4284 FC4 FC4A FC10A FN1 gi_1
4285 FC4A FC10A FN1 FC2 gi_1
4286 FC10A FN1 FC2 FN3 gi_1
4287 FC4A FC4 FN5 FC10A gi_1
4288 FC10A FN1 FN10 FC4A gi_1
4289 FN10 FC10A FC4A FN5 gi_1
4290 FN10 FC9A FC5A FN5 gi_1
4291 FC5A FN5 FC6 FC9A gi_1
4292 FC9A FN10 FC9 FC5A gi_1
4293 FC5A FC6 FC7 FC8 gi_1
4294 FC6 FC7 FC8 FC9 gi_1
4295 FC7 FC8 FC9 FC9A gi_1
4296 FC8 FC9 FC9A FC5A gi_1
4297 FC9 FC9A FC5A FC6 gi_1
4298 FC9A FC5A FC6 FC7 gi_1
4299 FC7 FC6 FC8 FCM7 gi_1
4300 FC8 FC7 FC9 FCM8 gi_1
4301 FCB FOB FCG FCA gi_2
4302 FCG FOG FCD FCB gi_2
4303 FCD FOD FCE FCG gi_2
4304 [ dihedrals ]
4305 ; ai aj ak al gromos type
4306 FC10A FC4A FN5 FC5A gd_4
4307 FC4A FN5 FC5A FC9A gd_4
4308 FC5A FC9A FN10 FC10A gd_4
4309 FC9A FN10 FC10A FC4A gd_4
4310 FC9A FN10 FCA FCB gd_20
4311 FN10 FCA FCB FCG gd_17
4312 FCA FCB FOB FHB gd_12
4313 FCA FCB FCG FCD gd_17
4314 FCB FCG FOG FHG gd_12
4315 FCB FCG FCD FCE gd_17
4316 FCG FCD FOD FHD gd_12
4317 FCG FCD FCE FOZ gd_17
4318 FCD FCE FOZ FPH gd_14
4319 FCE FOZ FPH FOH gd_11
4320 FCE FOZ FPH FOH gd_9
4321 FOZ FPH FOH FHH gd_11
4322 FOZ FPH FOH FHH gd_9
4324 [ PFN ]
4325 [ atoms ]
4326 FC9A C 0.00000 0
4327 FC10 CR1 0.00000 0
4328 FC10A C 0.00000 0
4329 FC1 CR1 0.00000 1
4330 FC2 CR1 0.00000 1
4331 FC3 C 0.00000 2
4332 FN3 NT -0.83000 3
4333 FH31 H 0.41500 3
4334 FH32 H 0.41500 3
4335 FC4 CR1 0.00000 4
4336 FC4A C 0.15000 5
4337 FN5 NR 0.28500 5
4338 FH5 H 0.41500 5
4339 FC5A C 0.15000 5
4340 FC6 CR1 0.00000 6
4341 FC7 C 0.00000 7
4342 FN7 NT -0.83000 8
4343 FH71 H 0.41500 8
4344 FH72 H 0.41500 8
4345 FC8 CR1 0.00000 9
4346 FC9 CR1 0.00000 9
4347 [ bonds ]
4348 FC9A FC10 gb_15
4349 FC9A FC5A gb_15
4350 FC9A FC9 gb_15
4351 FC10 FC10A gb_15
4352 FC10A FC1 gb_15
4353 FC10A FC4A gb_15
4354 FC1 FC2 gb_15
4355 FC2 FC3 gb_15
4356 FC3 FN3 gb_8
4357 FC3 FC4 gb_15
4358 FN3 FH31 gb_2
4359 FN3 FH32 gb_2
4360 FC4 FC4A gb_15
4361 FC4A FN5 gb_16
4362 FN5 FH5 gb_2
4363 FN5 FC5A gb_16
4364 FC5A FC6 gb_15
4365 FC6 FC7 gb_15
4366 FC7 FN7 gb_8
4367 FC7 FC8 gb_15
4368 FN7 FH71 gb_2
4369 FN7 FH72 gb_2
4370 FC8 FC9 gb_15
4371 [ exclusions ]
4372 ; ai aj
4373 FC9A FC1
4374 FC9A FC4A
4375 FC9A FH5
4376 FC9A FC7
4377 FC10 FC2
4378 FC10 FC4
4379 FC10 FN5
4380 FC10 FC6
4381 FC10 FC8
4382 FC10A FC3
4383 FC10A FH5
4384 FC10A FC5A
4385 FC10A FC9
4386 FC1 FN3
4387 FC1 FC4
4388 FC1 FN5
4389 FC2 FC4A
4390 FC3 FN5
4391 FN3 FC4A
4392 FC4 FH5
4393 FC4 FC5A
4394 FC4A FC6
4395 FN5 FC7
4396 FN5 FC9
4397 FH5 FC6
4398 FC5A FN7
4399 FC5A FC8
4400 FC6 FC9
4401 FN7 FC9
4402 [ angles ]
4403 ; ai aj ak gromos type
4404 FC10 FC9A FC5A ga_26
4405 FC10 FC9A FC9 ga_26
4406 FC5A FC9A FC9 ga_26
4407 FC9A FC10 FC10A ga_26
4408 FC10 FC10A FC1 ga_26
4409 FC10 FC10A FC4A ga_26
4410 FC1 FC10A FC4A ga_26
4411 FC10A FC1 FC2 ga_26
4412 FC1 FC2 FC3 ga_26
4413 FC2 FC3 FN3 ga_26
4414 FC2 FC3 FC4 ga_26
4415 FN3 FC3 FC4 ga_26
4416 FC3 FN3 FH31 ga_22
4417 FC3 FN3 FH32 ga_22
4418 FH31 FN3 FH32 ga_23
4419 FC3 FC4 FC4A ga_26
4420 FC10A FC4A FC4 ga_26
4421 FC10A FC4A FN5 ga_26
4422 FC4 FC4A FN5 ga_26
4423 FC4A FN5 FH5 ga_24
4424 FC4A FN5 FC5A ga_26
4425 FH5 FN5 FC5A ga_24
4426 FC9A FC5A FN5 ga_26
4427 FC9A FC5A FC6 ga_26
4428 FN5 FC5A FC6 ga_26
4429 FC5A FC6 FC7 ga_26
4430 FC6 FC7 FN7 ga_26
4431 FC6 FC7 FC8 ga_26
4432 FN7 FC7 FC8 ga_26
4433 FC7 FN7 FH71 ga_22
4434 FC7 FN7 FH72 ga_22
4435 FH71 FN7 FH72 ga_23
4436 FC7 FC8 FC9 ga_26
4437 FC8 FC9 FC9A ga_26
4438 [ impropers ]
4439 ; ai aj ak al gromos type
4440 FC9A FC10 FC10A FC4A gi_1
4441 FC10 FC10A FC4A FN5 gi_1
4442 FC10A FC4A FN5 FC5A gi_1
4443 FC4A FN5 FC5A FC9A gi_1
4444 FN5 FC5A FC9A FC10 gi_1
4445 FC5A FC9A FC10 FC10A gi_1
4446 FN5 FC4A FC5A FH5 gi_1
4447 FC10A FC1 FC10 FC4A gi_1
4448 FC4A FC4 FN5 FC10A gi_1
4449 FC4A FC10A FC1 FC2 gi_1
4450 FC10A FC1 FC2 FC3 gi_1
4451 FC1 FC2 FC3 FC4 gi_1
4452 FC2 FC3 FC4 FC4A gi_1
4453 FC3 FC4 FC4A FC10A gi_1
4454 FC4 FC4A FC10A FC1 gi_1
4455 FC3 FC2 FC4 FN3 gi_1
4456 FN3 FH31 FH32 FC3 gi_1
4457 FC5A FN5 FC6 FC9A gi_1
4458 FC9A FC10 FC9 FC5A gi_1
4459 FC5A FC6 FC7 FC8 gi_1
4460 FC6 FC7 FC8 FC9 gi_1
4461 FC7 FC8 FC9 FC9A gi_1
4462 FC8 FC9 FC9A FC5A gi_1
4463 FC9 FC9A FC5A FC6 gi_1
4464 FC9A FC5A FC6 FC7 gi_1
4465 FC7 FC8 FC6 FN7 gi_1
4466 FN7 FH71 FH72 FC7 gi_1
4467 [ dihedrals ]
4468 ; ai aj ak al gromos type
4469 FC2 FC3 FN3 FH31 gd_4
4470 FC8 FC7 FN7 FH71 gd_4
4472 [ NADP ]
4473 [ atoms ]
4474 AP P 0.76000 0
4475 AO1P OM -0.63500 0
4476 AO2P OM -0.63500 0
4477 AO5* OA -0.36000 0
4478 O3P OA -0.26000 1
4479 NP P 0.76000 1
4480 NO1P OM -0.63500 1
4481 NO2P OM -0.63500 1
4482 NO5* OA -0.36000 1
4483 AC5* CH2 0.00000 2
4484 AC4* CH1 0.16000 3
4485 AO4* OA -0.36000 3
4486 AC1* CH1 0.20000 3
4487 AN9 NR -0.20000 4
4488 AC4 C 0.20000 4
4489 AN3 NR -0.36000 5
4490 AC2 CR1 0.36000 5
4491 AN1 NR -0.36000 6
4492 AC6 C 0.36000 6
4493 AN6 NT -0.83000 7
4494 AH61 H 0.41500 7
4495 AH62 H 0.41500 7
4496 AC5 C 0.00000 8
4497 AN7 NR -0.36000 8
4498 AC8 CR1 0.36000 8
4499 AC2* CH1 0.15000 9
4500 AO2* OA -0.54800 9
4501 AH2* H 0.39800 9
4502 AC3* CH1 0.15000 10
4503 AO3* OA -0.54800 10
4504 AH3* H 0.39800 10
4505 NC5* CH2 0.00000 11
4506 NC4* CH1 0.16000 12
4507 NO4* OA -0.36000 12
4508 NC1* CH1 0.20000 12
4509 NN1 NR 0.10000 13
4510 NC6 CR1 0.30000 13
4511 NC2 CR1 0.25000 13
4512 NC3 C 0.00000 13
4513 NC4 CR1 0.25000 13
4514 NC5 CR1 0.10000 13
4515 NC7 C 0.38000 14
4516 NO7 O -0.38000 14
4517 NN7 NT -0.83000 15
4518 NH71 H 0.41500 15
4519 NH72 H 0.41500 15
4520 NC2* CH1 0.15000 16
4521 NO2* OA -0.54800 16
4522 NH2* H 0.39800 16
4523 NC3* CH1 0.15000 17
4524 NO3* OA -0.54800 17
4525 NH3* H 0.39800 17
4526 [ bonds ]
4527 AP AO1P gb_23
4528 AP AO2P gb_23
4529 AP AO5* gb_27
4530 AP O3P gb_27
4531 AO5* AC5* gb_19
4532 O3P NP gb_27
4533 NP NO1P gb_23
4534 NP NO2P gb_23
4535 NP NO5* gb_27
4536 NO5* NC5* gb_19
4537 AC5* AC4* gb_25
4538 AC4* AO4* gb_19
4539 AC4* AC3* gb_25
4540 AO4* AC1* gb_19
4541 AC1* AN9 gb_21
4542 AC1* AC2* gb_25
4543 AN9 AC4 gb_9
4544 AN9 AC8 gb_9
4545 AC4 AN3 gb_11
4546 AC4 AC5 gb_15
4547 AN3 AC2 gb_6
4548 AC2 AN1 gb_6
4549 AN1 AC6 gb_11
4550 AC6 AN6 gb_8
4551 AC6 AC5 gb_15
4552 AN6 AH61 gb_2
4553 AN6 AH62 gb_2
4554 AC5 AN7 gb_9
4555 AN7 AC8 gb_9
4556 AC2* AO2* gb_19
4557 AC2* AC3* gb_25
4558 AO2* AH2* gb_1
4559 AC3* AO3* gb_19
4560 AO3* AH3* gb_1
4561 NC5* NC4* gb_25
4562 NC4* NO4* gb_19
4563 NC4* NC3* gb_25
4564 NO4* NC1* gb_19
4565 NC1* NN1 gb_22
4566 NC1* NC2* gb_25
4567 NN1 NC6 gb_16
4568 NN1 NC2 gb_16
4569 NC6 NC5 gb_15
4570 NC2 NC3 gb_15
4571 NC3 NC4 gb_15
4572 NC3 NC7 gb_26
4573 NC4 NC5 gb_15
4574 NC7 NO7 gb_4
4575 NC7 NN7 gb_8
4576 NN7 NH71 gb_2
4577 NN7 NH72 gb_2
4578 NC2* NO2* gb_19
4579 NC2* NC3* gb_25
4580 NO2* NH2* gb_1
4581 NC3* NO3* gb_19
4582 NO3* NH3* gb_1
4583 [ exclusions ]
4584 ; ai aj
4585 AC1* AN3
4586 AC1* AC5
4587 AC1* AN7
4588 AN9 AC2
4589 AN9 AC6
4590 AC4 AN1
4591 AC4 AN6
4592 AN3 AC6
4593 AN3 AN7
4594 AN3 AC8
4595 AC2 AN6
4596 AC2 AC5
4597 AN1 AN7
4598 AC6 AC8
4599 AN6 AN7
4600 NC1* NC3
4601 NC1* NC5
4602 NN1 NC4
4603 NN1 NC7
4604 NC6 NC3
4605 NC2 NC5
4606 NC5 NC7
4607 [ angles ]
4608 ; ai aj ak gromos type
4609 AO1P AP AO2P ga_28
4610 AO1P AP AO5* ga_13
4611 AO1P AP O3P ga_13
4612 AO2P AP AO5* ga_13
4613 AO2P AP O3P ga_13
4614 AO5* AP O3P ga_4
4615 AP AO5* AC5* ga_25
4616 AP O3P NP ga_25
4617 O3P NP NO1P ga_13
4618 O3P NP NO2P ga_13
4619 O3P NP NO5* ga_4
4620 NO1P NP NO2P ga_28
4621 NO1P NP NO5* ga_13
4622 NO2P NP NO5* ga_13
4623 NP NO5* NC5* ga_25
4624 AO5* AC5* AC4* ga_8
4625 AC5* AC4* AO4* ga_8
4626 AC5* AC4* AC3* ga_7
4627 AO4* AC4* AC3* ga_8
4628 AC4* AO4* AC1* ga_9
4629 AO4* AC1* AN9 ga_8
4630 AO4* AC1* AC2* ga_8
4631 AN9 AC1* AC2* ga_8
4632 AC1* AN9 AC4 ga_36
4633 AC1* AN9 AC8 ga_36
4634 AC4 AN9 AC8 ga_6
4635 AN9 AC4 AN3 ga_38
4636 AN9 AC4 AC5 ga_6
4637 AN3 AC4 AC5 ga_26
4638 AC4 AN3 AC2 ga_26
4639 AN3 AC2 AN1 ga_26
4640 AC2 AN1 AC6 ga_26
4641 AN1 AC6 AN6 ga_26
4642 AN1 AC6 AC5 ga_26
4643 AN6 AC6 AC5 ga_26
4644 AC6 AN6 AH61 ga_22
4645 AC6 AN6 AH62 ga_22
4646 AH61 AN6 AH62 ga_23
4647 AC4 AC5 AC6 ga_26
4648 AC4 AC5 AN7 ga_6
4649 AC6 AC5 AN7 ga_38
4650 AC5 AN7 AC8 ga_6
4651 AN9 AC8 AN7 ga_6
4652 AC1* AC2* AO2* ga_8
4653 AC1* AC2* AC3* ga_7
4654 AO2* AC2* AC3* ga_8
4655 AC2* AO2* AH2* ga_11
4656 AC4* AC3* AC2* ga_7
4657 AC4* AC3* AO3* ga_8
4658 AC2* AC3* AO3* ga_8
4659 AC3* AO3* AH3* ga_11
4660 NO5* NC5* NC4* ga_8
4661 NC5* NC4* NO4* ga_8
4662 NC5* NC4* NC3* ga_7
4663 NO4* NC4* NC3* ga_8
4664 NC4* NO4* NC1* ga_9
4665 NO4* NC1* NN1 ga_8
4666 NO4* NC1* NC2* ga_8
4667 NN1 NC1* NC2* ga_7
4668 NC1* NN1 NC6 ga_26
4669 NC1* NN1 NC2 ga_26
4670 NC6 NN1 NC2 ga_26
4671 NN1 NC6 NC5 ga_26
4672 NN1 NC2 NC3 ga_26
4673 NC2 NC3 NC4 ga_26
4674 NC2 NC3 NC7 ga_26
4675 NC4 NC3 NC7 ga_26
4676 NC3 NC4 NC5 ga_26
4677 NC6 NC5 NC4 ga_26
4678 NC3 NC7 NO7 ga_29
4679 NC3 NC7 NN7 ga_18
4680 NO7 NC7 NN7 ga_32
4681 NC7 NN7 NH71 ga_22
4682 NC7 NN7 NH72 ga_22
4683 NH71 NN7 NH72 ga_23
4684 NC1* NC2* NO2* ga_8
4685 NC1* NC2* NC3* ga_7
4686 NO2* NC2* NC3* ga_8
4687 NC2* NO2* NH2* ga_11
4688 NC4* NC3* NC2* ga_7
4689 NC4* NC3* NO3* ga_8
4690 NC2* NC3* NO3* ga_8
4691 NC3* NO3* NH3* ga_11
4692 [ impropers ]
4693 ; ai aj ak al gromos type
4694 AC4* AO4* AC5* AC3* gi_2
4695 AC3* AC2* AO3* AC4* gi_2
4696 AC2* AO2* AC3* AC1* gi_2
4697 AC1* AN9 AO4* AC2* gi_2
4698 AN9 AC8 AC4 AC1* gi_1
4699 AC4 AN9 AC8 AN7 gi_1
4700 AC8 AN9 AC4 AC5 gi_1
4701 AN9 AC8 AN7 AC5 gi_1
4702 AN9 AC4 AC5 AN7 gi_1
4703 AC8 AN7 AC5 AC4 gi_1
4704 AC4 AN9 AN3 AC5 gi_1
4705 AC5 AC6 AN7 AC4 gi_1
4706 AN3 AC4 AC5 AC6 gi_1
4707 AC4 AC5 AC6 AN1 gi_1
4708 AC5 AC4 AN3 AC2 gi_1
4709 AC5 AC6 AN1 AC2 gi_1
4710 AC4 AN3 AC2 AN1 gi_1
4711 AN3 AC2 AN1 AC6 gi_1
4712 AC6 AC5 AN1 AN6 gi_1
4713 AN6 AH61 AH62 AC6 gi_1
4714 NC4* NO4* NC5* NC3* gi_2
4715 NC3* NC2* NO3* NC4* gi_2
4716 NC2* NO2* NC3* NC1* gi_2
4717 NC1* NN1 NO4* NC2* gi_2
4718 NN1 NC6 NC2 NC1* gi_1
4719 NC2 NN1 NC6 NC5 gi_1
4720 NC6 NN1 NC2 NC3 gi_1
4721 NN1 NC6 NC5 NC4 gi_1
4722 NN1 NC2 NC3 NC4 gi_1
4723 NC6 NC5 NC4 NC3 gi_1
4724 NC2 NC3 NC4 NC5 gi_1
4725 NC3 NC4 NC2 NC7 gi_1
4726 NC7 NO7 NN7 NC3 gi_1
4727 NN7 NH71 NH72 NC7 gi_1
4728 [ dihedrals ]
4729 ; ai aj ak al gromos type
4730 AO5* AP O3P NP gd_11
4731 AO5* AP O3P NP gd_9
4732 O3P AP AO5* AC5* gd_11
4733 O3P AP AO5* AC5* gd_9
4734 AP AO5* AC5* AC4* gd_14
4735 AO5* AC5* AC4* AC3* gd_17
4736 AO5* AC5* AC4* AC3* gd_7
4737 AO5* AC5* AC4* AO4* gd_8
4738 AC5* AC4* AC3* AC2* gd_17
4739 AC5* AC4* AC3* AO3* gd_7
4740 AO4* AC4* AC3* AC2* gd_7
4741 AO4* AC4* AC3* AO3* gd_8
4742 AC4* AC3* AC2* AC1* gd_17
4743 AO3* AC3* AC2* AC1* gd_7
4744 AC4* AC3* AC2* AO2* gd_7
4745 AO3* AC3* AC2* AO2* gd_8
4746 AC3* AC2* AC1* AO4* gd_17
4747 AC3* AC2* AC1* AO4* gd_7
4748 AO2* AC2* AC1* AN9 gd_7
4749 AO2* AC2* AC1* AO4* gd_8
4750 AC3* AC4* AO4* AC1* gd_14
4751 AC4* AO4* AC1* AC2* gd_14
4752 AC1* AC2* AO2* AH2* gd_12
4753 AC4* AC3* AO3* AH3* gd_12
4754 AO4* AC1* AN9 AC4 gd_6
4755 AC5 AC6 AN6 AH61 gd_4
4756 AP O3P NP NO5* gd_11
4757 AP O3P NP NO5* gd_9
4758 O3P NP NO5* NC5* gd_11
4759 O3P NP NO5* NC5* gd_9
4760 NP NO5* NC5* NC4* gd_14
4761 NO5* NC5* NC4* NC3* gd_17
4762 NO5* NC5* NC4* NC3* gd_7
4763 NO5* NC5* NC4* NO4* gd_8
4764 NC5* NC4* NC3* NC2* gd_17
4765 NC5* NC4* NC3* NO3* gd_7
4766 NO4* NC4* NC3* NC2* gd_7
4767 NO4* NC4* NC3* NO3* gd_8
4768 NC4* NC3* NC2* NC1* gd_17
4769 NO3* NC3* NC2* NC1* gd_7
4770 NC4* NC3* NC2* NO2* gd_7
4771 NO3* NC3* NC2* NO2* gd_8
4772 NC3* NC2* NC1* NO4* gd_17
4773 NC3* NC2* NC1* NO4* gd_7
4774 NO2* NC2* NC1* NN1 gd_7
4775 NO2* NC2* NC1* NO4* gd_8
4776 NC3* NC4* NO4* NC1* gd_14
4777 NC4* NO4* NC1* NC2* gd_14
4778 NC1* NC2* NO2* NH2* gd_12
4779 NC4* NC3* NO3* NH3* gd_12
4780 NO4* NC1* NN1 NC2 gd_6
4781 NC2 NC3 NC7 NN7 gd_1
4782 NC3 NC7 NN7 NH71 gd_4
4784 [ NADH ]
4785 [ atoms ]
4786 AP P 0.76000 0
4787 AO1P OM -0.63500 0
4788 AO2P OM -0.63500 0
4789 AO5* OA -0.36000 0
4790 O3P OA -0.26000 1
4791 NP P 0.76000 1
4792 NO1P OM -0.63500 1
4793 NO2P OM -0.63500 1
4794 NO5* OA -0.36000 1
4795 AC5* CH2 0.00000 2
4796 AC4* CH1 0.16000 3
4797 AO4* OA -0.36000 3
4798 AC1* CH1 0.20000 3
4799 AN9 NR -0.20000 4
4800 AC4 C 0.20000 4
4801 AN3 NR -0.36000 5
4802 AC2 CR1 0.36000 5
4803 AN1 NR -0.36000 6
4804 AC6 C 0.36000 6
4805 AN6 NT -0.83000 7
4806 AH61 H 0.41500 7
4807 AH62 H 0.41500 7
4808 AC5 C 0.00000 8
4809 AN7 NR -0.36000 8
4810 AC8 CR1 0.36000 8
4811 AC2* CH1 0.15000 9
4812 AO2* OA -0.54800 9
4813 AH2* H 0.39800 9
4814 AC3* CH1 0.15000 10
4815 AO3* OA -0.54800 10
4816 AH3* H 0.39800 10
4817 NC5* CH2 0.00000 11
4818 NC4* CH1 0.16000 12
4819 NO4* OA -0.36000 12
4820 NC1* CH1 0.20000 12
4821 NN1 NR -0.20000 13
4822 NC6 CR1 0.20000 13
4823 NC2 CR1 0.00000 13
4824 NC3 C 0.00000 13
4825 NC4 CH2 0.00000 13
4826 NC5 CR1 0.00000 13
4827 NC7 C 0.38000 14
4828 NO7 O -0.38000 14
4829 NN7 NT -0.83000 15
4830 NH71 H 0.41500 15
4831 NH72 H 0.41500 15
4832 NC2* CH1 0.15000 16
4833 NO2* OA -0.54800 16
4834 NH2* H 0.39800 16
4835 NC3* CH1 0.15000 17
4836 NO3* OA -0.54800 17
4837 NH3* H 0.39800 17
4838 [ bonds ]
4839 AP AO1P gb_23
4840 AP AO2P gb_23
4841 AP AO5* gb_27
4842 AP O3P gb_27
4843 AO5* AC5* gb_19
4844 O3P NP gb_27
4845 NP NO1P gb_23
4846 NP NO2P gb_23
4847 NP NO5* gb_27
4848 NO5* NC5* gb_19
4849 AC5* AC4* gb_25
4850 AC4* AO4* gb_19
4851 AC4* AC3* gb_25
4852 AO4* AC1* gb_19
4853 AC1* AN9 gb_21
4854 AC1* AC2* gb_25
4855 AN9 AC4 gb_9
4856 AN9 AC8 gb_9
4857 AC4 AN3 gb_11
4858 AC4 AC5 gb_15
4859 AN3 AC2 gb_6
4860 AC2 AN1 gb_6
4861 AN1 AC6 gb_11
4862 AC6 AN6 gb_8
4863 AC6 AC5 gb_15
4864 AN6 AH61 gb_2
4865 AN6 AH62 gb_2
4866 AC5 AN7 gb_9
4867 AN7 AC8 gb_9
4868 AC2* AO2* gb_19
4869 AC2* AC3* gb_25
4870 AO2* AH2* gb_1
4871 AC3* AO3* gb_19
4872 AO3* AH3* gb_1
4873 NC5* NC4* gb_25
4874 NC4* NO4* gb_19
4875 NC4* NC3* gb_25
4876 NO4* NC1* gb_19
4877 NC1* NN1 gb_22
4878 NC1* NC2* gb_25
4879 NN1 NC6 gb_16
4880 NN1 NC2 gb_16
4881 NC6 NC5 gb_15
4882 NC2 NC3 gb_15
4883 NC3 NC4 gb_14
4884 NC3 NC7 gb_26
4885 NC4 NC5 gb_14
4886 NC7 NO7 gb_4
4887 NC7 NN7 gb_8
4888 NN7 NH71 gb_2
4889 NN7 NH72 gb_2
4890 NC2* NO2* gb_19
4891 NC2* NC3* gb_25
4892 NO2* NH2* gb_1
4893 NC3* NO3* gb_19
4894 NO3* NH3* gb_1
4895 [ exclusions ]
4896 ; ai aj
4897 AC1* AN3
4898 AC1* AC5
4899 AC1* AN7
4900 AN9 AC2
4901 AN9 AC6
4902 AC4 AN1
4903 AC4 AN6
4904 AN3 AC6
4905 AN3 AN7
4906 AN3 AC8
4907 AC2 AN6
4908 AC2 AC5
4909 AN1 AN7
4910 AC6 AC8
4911 AN6 AN7
4912 NC1* NC3
4913 NC1* NC5
4914 NN1 NC4
4915 NN1 NC7
4916 NC6 NC3
4917 NC2 NC5
4918 NC5 NC7
4919 [ angles ]
4920 ; ai aj ak gromos type
4921 AO1P AP AO2P ga_28
4922 AO1P AP AO5* ga_13
4923 AO1P AP O3P ga_13
4924 AO2P AP AO5* ga_13
4925 AO2P AP O3P ga_13
4926 AO5* AP O3P ga_4
4927 AP AO5* AC5* ga_25
4928 AP O3P NP ga_25
4929 O3P NP NO1P ga_13
4930 O3P NP NO2P ga_13
4931 O3P NP NO5* ga_4
4932 NO1P NP NO2P ga_28
4933 NO1P NP NO5* ga_13
4934 NO2P NP NO5* ga_13
4935 NP NO5* NC5* ga_25
4936 AO5* AC5* AC4* ga_8
4937 AC5* AC4* AO4* ga_8
4938 AC5* AC4* AC3* ga_7
4939 AO4* AC4* AC3* ga_8
4940 AC4* AO4* AC1* ga_9
4941 AO4* AC1* AN9 ga_8
4942 AO4* AC1* AC2* ga_8
4943 AN9 AC1* AC2* ga_8
4944 AC1* AN9 AC4 ga_36
4945 AC1* AN9 AC8 ga_36
4946 AC4 AN9 AC8 ga_6
4947 AN9 AC4 AN3 ga_38
4948 AN9 AC4 AC5 ga_6
4949 AN3 AC4 AC5 ga_26
4950 AC4 AN3 AC2 ga_26
4951 AN3 AC2 AN1 ga_26
4952 AC2 AN1 AC6 ga_26
4953 AN1 AC6 AN6 ga_26
4954 AN1 AC6 AC5 ga_26
4955 AN6 AC6 AC5 ga_26
4956 AC6 AN6 AH61 ga_22
4957 AC6 AN6 AH62 ga_22
4958 AH61 AN6 AH62 ga_23
4959 AC4 AC5 AC6 ga_26
4960 AC4 AC5 AN7 ga_6
4961 AC6 AC5 AN7 ga_38
4962 AC5 AN7 AC8 ga_6
4963 AN9 AC8 AN7 ga_6
4964 AC1* AC2* AO2* ga_8
4965 AC1* AC2* AC3* ga_7
4966 AO2* AC2* AC3* ga_8
4967 AC2* AO2* AH2* ga_11
4968 AC4* AC3* AC2* ga_7
4969 AC4* AC3* AO3* ga_8
4970 AC2* AC3* AO3* ga_8
4971 AC3* AO3* AH3* ga_11
4972 NO5* NC5* NC4* ga_8
4973 NC5* NC4* NO4* ga_8
4974 NC5* NC4* NC3* ga_7
4975 NO4* NC4* NC3* ga_8
4976 NC4* NO4* NC1* ga_9
4977 NO4* NC1* NN1 ga_8
4978 NO4* NC1* NC2* ga_8
4979 NN1 NC1* NC2* ga_7
4980 NC1* NN1 NC6 ga_26
4981 NC1* NN1 NC2 ga_26
4982 NC6 NN1 NC2 ga_26
4983 NN1 NC6 NC5 ga_26
4984 NN1 NC2 NC3 ga_26
4985 NC2 NC3 NC4 ga_26
4986 NC2 NC3 NC7 ga_26
4987 NC4 NC3 NC7 ga_26
4988 NC3 NC4 NC5 ga_26
4989 NC6 NC5 NC4 ga_26
4990 NC3 NC7 NO7 ga_29
4991 NC3 NC7 NN7 ga_18
4992 NO7 NC7 NN7 ga_32
4993 NC7 NN7 NH71 ga_22
4994 NC7 NN7 NH72 ga_22
4995 NH71 NN7 NH72 ga_23
4996 NC1* NC2* NO2* ga_8
4997 NC1* NC2* NC3* ga_7
4998 NO2* NC2* NC3* ga_8
4999 NC2* NO2* NH2* ga_11
5000 NC4* NC3* NC2* ga_7
5001 NC4* NC3* NO3* ga_8
5002 NC2* NC3* NO3* ga_8
5003 NC3* NO3* NH3* ga_11
5004 [ impropers ]
5005 ; ai aj ak al gromos type
5006 AC4* AO4* AC5* AC3* gi_2
5007 AC3* AC2* AO3* AC4* gi_2
5008 AC2* AO2* AC3* AC1* gi_2
5009 AC1* AN9 AO4* AC2* gi_2
5010 AN9 AC8 AC4 AC1* gi_1
5011 AC4 AN9 AC8 AN7 gi_1
5012 AC8 AN9 AC4 AC5 gi_1
5013 AN9 AC8 AN7 AC5 gi_1
5014 AN9 AC4 AC5 AN7 gi_1
5015 AC8 AN7 AC5 AC4 gi_1
5016 AC4 AN9 AN3 AC5 gi_1
5017 AC5 AC6 AN7 AC4 gi_1
5018 AN3 AC4 AC5 AC6 gi_1
5019 AC4 AC5 AC6 AN1 gi_1
5020 AC5 AC4 AN3 AC2 gi_1
5021 AC5 AC6 AN1 AC2 gi_1
5022 AC4 AN3 AC2 AN1 gi_1
5023 AN3 AC2 AN1 AC6 gi_1
5024 AC6 AC5 AN1 AN6 gi_1
5025 AN6 AH61 AH62 AC6 gi_1
5026 NC4* NO4* NC5* NC3* gi_1
5027 NC3* NC2* NO3* NC4* gi_1
5028 NC2* NO2* NC3* NC1* gi_1
5029 NC1* NN1 NO4* NC2* gi_1
5030 NN1 NC6 NC2 NC1* gi_1
5031 NC2 NN1 NC6 NC5 gi_1
5032 NC6 NN1 NC2 NC3 gi_1
5033 NN1 NC6 NC5 NC4 gi_1
5034 NN1 NC2 NC3 NC4 gi_1
5035 NC6 NC5 NC4 NC3 gi_1
5036 NC2 NC3 NC4 NC5 gi_1
5037 NC3 NC4 NC2 NC7 gi_1
5038 NC7 NO7 NN7 NC3 gi_1
5039 NN7 NH71 NH72 NC7 gi_1
5040 [ dihedrals ]
5041 ; ai aj ak al gromos type
5042 AO5* AP O3P NP gd_11
5043 AO5* AP O3P NP gd_9
5044 O3P AP AO5* AC5* gd_11
5045 O3P AP AO5* AC5* gd_9
5046 AP AO5* AC5* AC4* gd_14
5047 AO5* AC5* AC4* AC3* gd_17
5048 AO5* AC5* AC4* AC3* gd_7
5049 AO5* AC5* AC4* AO4* gd_8
5050 AC5* AC4* AC3* AC2* gd_17
5051 AC5* AC4* AC3* AO3* gd_7
5052 AO4* AC4* AC3* AC2* gd_7
5053 AO4* AC4* AC3* AO3* gd_8
5054 AC4* AC3* AC2* AC1* gd_17
5055 AO3* AC3* AC2* AC1* gd_7
5056 AC4* AC3* AC2* AO2* gd_7
5057 AO3* AC3* AC2* AO2* gd_8
5058 AC3* AC2* AC1* AO4* gd_17
5059 AC3* AC2* AC1* AO4* gd_7
5060 AO2* AC2* AC1* AN9 gd_7
5061 AO2* AC2* AC1* AO4* gd_8
5062 AC3* AC4* AO4* AC1* gd_14
5063 AC4* AO4* AC1* AC2* gd_14
5064 AC1* AC2* AO2* AH2* gd_12
5065 AC4* AC3* AO3* AH3* gd_12
5066 AO4* AC1* AN9 AC4 gd_6
5067 AC5 AC6 AN6 AH61 gd_4
5068 AP O3P NP NO5* gd_11
5069 AP O3P NP NO5* gd_9
5070 O3P NP NO5* NC5* gd_11
5071 O3P NP NO5* NC5* gd_9
5072 NP NO5* NC5* NC4* gd_14
5073 NO5* NC5* NC4* NC3* gd_17
5074 NO5* NC5* NC4* NC3* gd_7
5075 NO5* NC5* NC4* NO4* gd_8
5076 NC5* NC4* NC3* NC2* gd_17
5077 NC5* NC4* NC3* NO3* gd_7
5078 NO4* NC4* NC3* NC2* gd_7
5079 NO4* NC4* NC3* NO3* gd_8
5080 NC4* NC3* NC2* NC1* gd_17
5081 NO3* NC3* NC2* NC1* gd_7
5082 NC4* NC3* NC2* NO2* gd_7
5083 NO3* NC3* NC2* NO2* gd_8
5084 NC3* NC2* NC1* NO4* gd_17
5085 NC3* NC2* NC1* NO4* gd_7
5086 NO2* NC2* NC1* NN1 gd_7
5087 NO2* NC2* NC1* NO4* gd_8
5088 NC3* NC4* NO4* NC1* gd_14
5089 NC4* NO4* NC1* NC2* gd_14
5090 NC1* NC2* NO2* NH2* gd_12
5091 NC4* NC3* NO3* NH3* gd_12
5092 NO4* NC1* NN1 NC2 gd_6
5093 NC2 NC3 NC7 NN7 gd_1
5094 NC3 NC7 NN7 NH71 gd_4
5096 [ NDPH ]
5097 [ atoms ]
5098 AP P 0.76000 0
5099 AO1P OM -0.63500 0
5100 AO2P OM -0.63500 0
5101 AO5* OA -0.36000 0
5102 O3P OA -0.26000 1
5103 NP P 0.76000 1
5104 NO1P OM -0.63500 1
5105 NO2P OM -0.63500 1
5106 NO5* OA -0.36000 1
5107 AC5* CH2 0.00000 2
5108 AC4* CH1 0.16000 3
5109 AO4* OA -0.36000 3
5110 AC1* CH1 0.20000 3
5111 AN9 NR -0.20000 4
5112 AC4 C 0.20000 4
5113 AN3 NR -0.36000 5
5114 AC2 CR1 0.36000 5
5115 AN1 NR -0.36000 6
5116 AC6 C 0.36000 6
5117 AN6 NT -0.83000 7
5118 AH61 H 0.41500 7
5119 AH62 H 0.41500 7
5120 AC5 C 0.00000 8
5121 AN7 NR -0.36000 8
5122 AC8 CR1 0.36000 8
5123 AC2* CH1 0.15000 9
5124 AO2* OA -0.36000 9
5125 AP2* P 0.63000 9
5126 AO6* OM -0.63500 9
5127 AO7* OM -0.63500 9
5128 AO8* OA -0.54800 9
5129 AH8* H 0.39800 9
5130 AC3* CH1 0.15000 10
5131 AO3* OA -0.54800 10
5132 AH3* H 0.39800 10
5133 NC5* CH2 0.00000 11
5134 NC4* CH1 0.16000 12
5135 NO4* OA -0.36000 12
5136 NC1* CH1 0.20000 12
5137 NN1 NR -0.20000 13
5138 NC6 CR1 0.20000 13
5139 NC2 CR1 0.00000 13
5140 NC3 C 0.00000 13
5141 NC4 CH2 0.00000 13
5142 NC5 CR1 0.00000 13
5143 NC7 C 0.38000 14
5144 NO7 O -0.38000 14
5145 NN7 NT -0.83000 15
5146 NH71 H 0.41500 15
5147 NH72 H 0.41500 15
5148 NC2* CH1 0.15000 16
5149 NO2* OA -0.54800 16
5150 NH2* H 0.39800 16
5151 NC3* CH1 0.15000 17
5152 NO3* OA -0.54800 17
5153 NH3* H 0.39800 17
5154 [ bonds ]
5155 AP AO1P gb_23
5156 AP AO2P gb_23
5157 AP AO5* gb_27
5158 AP O3P gb_27
5159 AO5* AC5* gb_19
5160 O3P NP gb_27
5161 NP NO1P gb_23
5162 NP NO2P gb_23
5163 NP NO5* gb_27
5164 NO5* NC5* gb_19
5165 AC5* AC4* gb_25
5166 AC4* AO4* gb_19
5167 AC4* AC3* gb_25
5168 AO4* AC1* gb_19
5169 AC1* AN9 gb_21
5170 AC1* AC2* gb_25
5171 AN9 AC4 gb_9
5172 AN9 AC8 gb_9
5173 AC4 AN3 gb_11
5174 AC4 AC5 gb_15
5175 AN3 AC2 gb_6
5176 AC2 AN1 gb_6
5177 AN1 AC6 gb_11
5178 AC6 AN6 gb_8
5179 AC6 AC5 gb_15
5180 AN6 AH61 gb_2
5181 AN6 AH62 gb_2
5182 AC5 AN7 gb_9
5183 AN7 AC8 gb_9
5184 AC2* AO2* gb_19
5185 AC2* AC3* gb_25
5186 AO2* AP2* gb_27
5187 AP2* AO6* gb_23
5188 AP2* AO7* gb_23
5189 AP2* AO8* gb_27
5190 AO8* AH8* gb_1
5191 AC3* AO3* gb_19
5192 AO3* AH3* gb_1
5193 NC5* NC4* gb_25
5194 NC4* NO4* gb_19
5195 NC4* NC3* gb_25
5196 NO4* NC1* gb_19
5197 NC1* NN1 gb_22
5198 NC1* NC2* gb_25
5199 NN1 NC6 gb_16
5200 NN1 NC2 gb_16
5201 NC6 NC5 gb_15
5202 NC2 NC3 gb_15
5203 NC3 NC4 gb_14
5204 NC3 NC7 gb_26
5205 NC4 NC5 gb_14
5206 NC7 NO7 gb_4
5207 NC7 NN7 gb_8
5208 NN7 NH71 gb_2
5209 NN7 NH72 gb_2
5210 NC2* NO2* gb_19
5211 NC2* NC3* gb_25
5212 NO2* NH2* gb_1
5213 NC3* NO3* gb_19
5214 NO3* NH3* gb_1
5215 [ exclusions ]
5216 ; ai aj
5217 AC1* AN3
5218 AC1* AC5
5219 AC1* AN7
5220 AN9 AC2
5221 AN9 AC6
5222 AC4 AN1
5223 AC4 AN6
5224 AN3 AC6
5225 AN3 AN7
5226 AN3 AC8
5227 AC2 AN6
5228 AC2 AC5
5229 AN1 AN7
5230 AC6 AC8
5231 AN6 AN7
5232 AO2* AH8*
5233 AO6* AH8*
5234 AO7* AH8*
5235 NC1* NC3
5236 NC1* NC5
5237 NN1 NC4
5238 NN1 NC7
5239 NC6 NC3
5240 NC2 NC5
5241 NC5 NC7
5242 [ angles ]
5243 ; ai aj ak gromos type
5244 AO1P AP AO2P ga_28
5245 AO1P AP AO5* ga_13
5246 AO1P AP O3P ga_13
5247 AO2P AP AO5* ga_13
5248 AO2P AP O3P ga_13
5249 AO5* AP O3P ga_4
5250 AP AO5* AC5* ga_25
5251 AP O3P NP ga_25
5252 O3P NP NO1P ga_13
5253 O3P NP NO2P ga_13
5254 O3P NP NO5* ga_4
5255 NO1P NP NO2P ga_28
5256 NO1P NP NO5* ga_13
5257 NO2P NP NO5* ga_13
5258 NP NO5* NC5* ga_25
5259 AO5* AC5* AC4* ga_8
5260 AC5* AC4* AO4* ga_8
5261 AC5* AC4* AC3* ga_7
5262 AO4* AC4* AC3* ga_8
5263 AC4* AO4* AC1* ga_9
5264 AO4* AC1* AN9 ga_8
5265 AO4* AC1* AC2* ga_8
5266 AN9 AC1* AC2* ga_8
5267 AC1* AN9 AC4 ga_36
5268 AC1* AN9 AC8 ga_36
5269 AC4 AN9 AC8 ga_6
5270 AN9 AC4 AN3 ga_38
5271 AN9 AC4 AC5 ga_6
5272 AN3 AC4 AC5 ga_26
5273 AC4 AN3 AC2 ga_26
5274 AN3 AC2 AN1 ga_26
5275 AC2 AN1 AC6 ga_26
5276 AN1 AC6 AN6 ga_26
5277 AN1 AC6 AC5 ga_26
5278 AN6 AC6 AC5 ga_26
5279 AC6 AN6 AH61 ga_22
5280 AC6 AN6 AH62 ga_22
5281 AH61 AN6 AH62 ga_23
5282 AC4 AC5 AC6 ga_26
5283 AC4 AC5 AN7 ga_6
5284 AC6 AC5 AN7 ga_38
5285 AC5 AN7 AC8 ga_6
5286 AN9 AC8 AN7 ga_6
5287 AC1* AC2* AO2* ga_8
5288 AC1* AC2* AC3* ga_7
5289 AO2* AC2* AC3* ga_8
5290 AC2* AO2* AP2* ga_25
5291 AO2* AP2* AO6* ga_13
5292 AO2* AP2* AO7* ga_13
5293 AO2* AP2* AO8* ga_4
5294 AO6* AP2* AO7* ga_28
5295 AO6* AP2* AO8* ga_13
5296 AO7* AP2* AO8* ga_13
5297 AP2* AO8* AH8* ga_11
5298 AC4* AC3* AC2* ga_7
5299 AC4* AC3* AO3* ga_8
5300 AC2* AC3* AO3* ga_8
5301 AC3* AO3* AH3* ga_11
5302 NO5* NC5* NC4* ga_8
5303 NC5* NC4* NO4* ga_8
5304 NC5* NC4* NC3* ga_7
5305 NO4* NC4* NC3* ga_8
5306 NC4* NO4* NC1* ga_9
5307 NO4* NC1* NN1 ga_8
5308 NO4* NC1* NC2* ga_8
5309 NN1 NC1* NC2* ga_7
5310 NC1* NN1 NC6 ga_26
5311 NC1* NN1 NC2 ga_26
5312 NC6 NN1 NC2 ga_26
5313 NN1 NC6 NC5 ga_26
5314 NN1 NC2 NC3 ga_26
5315 NC2 NC3 NC4 ga_26
5316 NC2 NC3 NC7 ga_26
5317 NC4 NC3 NC7 ga_26
5318 NC3 NC4 NC5 ga_26
5319 NC6 NC5 NC4 ga_26
5320 NC3 NC7 NO7 ga_29
5321 NC3 NC7 NN7 ga_18
5322 NO7 NC7 NN7 ga_32
5323 NC7 NN7 NH71 ga_22
5324 NC7 NN7 NH72 ga_22
5325 NH71 NN7 NH72 ga_23
5326 NC1* NC2* NO2* ga_8
5327 NC1* NC2* NC3* ga_7
5328 NO2* NC2* NC3* ga_8
5329 NC2* NO2* NH2* ga_11
5330 NC4* NC3* NC2* ga_7
5331 NC4* NC3* NO3* ga_8
5332 NC2* NC3* NO3* ga_8
5333 NC3* NO3* NH3* ga_11
5334 [ impropers ]
5335 ; ai aj ak al gromos type
5336 AC4* AO4* AC5* AC3* gi_2
5337 AC3* AC2* AO3* AC4* gi_2
5338 AC2* AO2* AC3* AC1* gi_2
5339 AC1* AN9 AO4* AC2* gi_2
5340 AN9 AC8 AC4 AC1* gi_1
5341 AC4 AN9 AC8 AN7 gi_1
5342 AC8 AN9 AC4 AC5 gi_1
5343 AN9 AC8 AN7 AC5 gi_1
5344 AN9 AC4 AC5 AN7 gi_1
5345 AC8 AN7 AC5 AC4 gi_1
5346 AC4 AN9 AN3 AC5 gi_1
5347 AC5 AC6 AN7 AC4 gi_1
5348 AN3 AC4 AC5 AC6 gi_1
5349 AC4 AC5 AC6 AN1 gi_1
5350 AC5 AC4 AN3 AC2 gi_1
5351 AC5 AC6 AN1 AC2 gi_1
5352 AC4 AN3 AC2 AN1 gi_1
5353 AN3 AC2 AN1 AC6 gi_1
5354 AC6 AC5 AN1 AN6 gi_1
5355 AN6 AH61 AH62 AC6 gi_1
5356 NC4* NO4* NC5* NC3* gi_2
5357 NC3* NC2* NO3* NC4* gi_2
5358 NC2* NO2* NC3* NC1* gi_2
5359 NC1* NN1 NO4* NC2* gi_2
5360 NN1 NC6 NC2 NC1* gi_1
5361 NC2 NN1 NC6 NC5 gi_1
5362 NC6 NN1 NC2 NC3 gi_1
5363 NN1 NC6 NC5 NC4 gi_1
5364 NN1 NC2 NC3 NC4 gi_1
5365 NC6 NC5 NC4 NC3 gi_1
5366 NC2 NC3 NC4 NC5 gi_1
5367 NC3 NC4 NC2 NC7 gi_1
5368 NC7 NO7 NN7 NC3 gi_1
5369 NN7 NH71 NH72 NC7 gi_1
5370 [ dihedrals ]
5371 ; ai aj ak al gromos type
5372 AO5* AP O3P NP gd_11
5373 AO5* AP O3P NP gd_9
5374 O3P AP AO5* AC5* gd_11
5375 O3P AP AO5* AC5* gd_9
5376 AP AO5* AC5* AC4* gd_14
5377 AO5* AC5* AC4* AC3* gd_17
5378 AO5* AC5* AC4* AC3* gd_7
5379 AO5* AC5* AC4* AO4* gd_8
5380 AC5* AC4* AC3* AC2* gd_17
5381 AC5* AC4* AC3* AO3* gd_7
5382 AO4* AC4* AC3* AC2* gd_7
5383 AO4* AC4* AC3* AO3* gd_8
5384 AC4* AC3* AC2* AC1* gd_17
5385 AO3* AC3* AC2* AC1* gd_7
5386 AC4* AC3* AC2* AO2* gd_7
5387 AO3* AC3* AC2* AO2* gd_8
5388 AC3* AC2* AC1* AO4* gd_17
5389 AC3* AC2* AC1* AO4* gd_7
5390 AO2* AC2* AC1* AN9 gd_7
5391 AO2* AC2* AC1* AO4* gd_8
5392 AC3* AC4* AO4* AC1* gd_14
5393 AC4* AO4* AC1* AC2* gd_14
5394 AC1* AC2* AO2* AP2* gd_12
5395 AC2* AO2* AP2* AO8* gd_11
5396 AC2* AO2* AP2* AO8* gd_9
5397 AO2* AP2* AO8* AH8* gd_11
5398 AO2* AP2* AO8* AH8* gd_9
5399 AC4* AC3* AO3* AH3* gd_12
5400 AO4* AC1* AN9 AC4 gd_6
5401 AC5 AC6 AN6 AH61 gd_4
5402 AP O3P NP NO5* gd_11
5403 AP O3P NP NO5* gd_9
5404 O3P NP NO5* NC5* gd_11
5405 O3P NP NO5* NC5* gd_9
5406 NP NO5* NC5* NC4* gd_14
5407 NO5* NC5* NC4* NC3* gd_17
5408 NO5* NC5* NC4* NC3* gd_7
5409 NO5* NC5* NC4* NO4* gd_8
5410 NC5* NC4* NC3* NC2* gd_17
5411 NC5* NC4* NC3* NO3* gd_7
5412 NO4* NC4* NC3* NC2* gd_7
5413 NO4* NC4* NC3* NO3* gd_8
5414 NC4* NC3* NC2* NC1* gd_17
5415 NO3* NC3* NC2* NC1* gd_7
5416 NC4* NC3* NC2* NO2* gd_7
5417 NO3* NC3* NC2* NO2* gd_8
5418 NC3* NC2* NC1* NO4* gd_17
5419 NC3* NC2* NC1* NO4* gd_7
5420 NO2* NC2* NC1* NN1 gd_7
5421 NO2* NC2* NC1* NO4* gd_8
5422 NC3* NC4* NO4* NC1* gd_14
5423 NC4* NO4* NC1* NC2* gd_14
5424 NC1* NC2* NO2* NH2* gd_12
5425 NC4* NC3* NO3* NH3* gd_12
5426 NO4* NC1* NN1 NC2 gd_6
5427 NC2 NC3 NC7 NN7 gd_1
5428 NC3 NC7 NN7 NH71 gd_4
5430 [ NDPP ]
5431 [ atoms ]
5432 AP P 0.76000 0
5433 AO1P OM -0.63500 0
5434 AO2P OM -0.63500 0
5435 AO5* OA -0.36000 0
5436 O3P OA -0.26000 1
5437 NP P 0.76000 1
5438 NO1P OM -0.63500 1
5439 NO2P OM -0.63500 1
5440 NO5* OA -0.36000 1
5441 AC5* CH2 0.00000 2
5442 AC4* CH1 0.16000 3
5443 AO4* OA -0.36000 3
5444 AC1* CH1 0.20000 3
5445 AN9 NR -0.20000 4
5446 AC4 C 0.20000 4
5447 AN3 NR -0.36000 5
5448 AC2 CR1 0.36000 5
5449 AN1 NR -0.36000 6
5450 AC6 C 0.36000 6
5451 AN6 NT -0.83000 7
5452 AH61 H 0.41500 7
5453 AH62 H 0.41500 7
5454 AC5 C 0.00000 8
5455 AN7 NR -0.36000 8
5456 AC8 CR1 0.36000 8
5457 AC2* CH1 0.15000 9
5458 AO2* OA -0.36000 9
5459 AP2* P 0.63000 9
5460 AO6* OM -0.63500 9
5461 AO7* OM -0.63500 9
5462 AO8* OA -0.54800 9
5463 AH8* H 0.39800 9
5464 AC3* CH1 0.15000 10
5465 AO3* OA -0.54800 10
5466 AH3* H 0.39800 10
5467 NC5* CH2 0.00000 11
5468 NC4* CH1 0.16000 12
5469 NO4* OA -0.36000 12
5470 NC1* CH1 0.20000 12
5471 NN1 NR 0.10000 13
5472 NC6 CR1 0.30000 13
5473 NC2 CR1 0.25000 13
5474 NC3 C 0.00000 13
5475 NC4 CR1 0.25000 13
5476 NC5 CR1 0.10000 13
5477 NC7 C 0.38000 14
5478 NO7 O -0.38000 14
5479 NN7 NT -0.83000 15
5480 NH71 H 0.41500 15
5481 NH72 H 0.41500 15
5482 NC2* CH1 0.15000 16
5483 NO2* OA -0.54800 16
5484 NH2* H 0.39800 16
5485 NC3* CH1 0.15000 17
5486 NO3* OA -0.54800 17
5487 NH3* H 0.39800 17
5488 [ bonds ]
5489 AP AO1P gb_23
5490 AP AO2P gb_23
5491 AP AO5* gb_27
5492 AP O3P gb_27
5493 AO5* AC5* gb_19
5494 O3P NP gb_27
5495 NP NO1P gb_23
5496 NP NO2P gb_23
5497 NP NO5* gb_27
5498 NO5* NC5* gb_19
5499 AC5* AC4* gb_25
5500 AC4* AO4* gb_19
5501 AC4* AC3* gb_25
5502 AO4* AC1* gb_19
5503 AC1* AN9 gb_21
5504 AC1* AC2* gb_25
5505 AN9 AC4 gb_9
5506 AN9 AC8 gb_9
5507 AC4 AN3 gb_11
5508 AC4 AC5 gb_15
5509 AN3 AC2 gb_6
5510 AC2 AN1 gb_6
5511 AN1 AC6 gb_11
5512 AC6 AN6 gb_8
5513 AC6 AC5 gb_15
5514 AN6 AH61 gb_2
5515 AN6 AH62 gb_2
5516 AC5 AN7 gb_9
5517 AN7 AC8 gb_9
5518 AC2* AO2* gb_19
5519 AC2* AC3* gb_25
5520 AO2* AP2* gb_27
5521 AP2* AO6* gb_23
5522 AP2* AO7* gb_23
5523 AP2* AO8* gb_27
5524 AO8* AH8* gb_1
5525 AC3* AO3* gb_19
5526 AO3* AH3* gb_1
5527 NC5* NC4* gb_25
5528 NC4* NO4* gb_19
5529 NC4* NC3* gb_25
5530 NO4* NC1* gb_19
5531 NC1* NN1 gb_22
5532 NC1* NC2* gb_25
5533 NN1 NC6 gb_16
5534 NN1 NC2 gb_16
5535 NC6 NC5 gb_15
5536 NC2 NC3 gb_15
5537 NC3 NC4 gb_15
5538 NC3 NC7 gb_26
5539 NC4 NC5 gb_15
5540 NC7 NO7 gb_4
5541 NC7 NN7 gb_8
5542 NN7 NH71 gb_2
5543 NN7 NH72 gb_2
5544 NC2* NO2* gb_19
5545 NC2* NC3* gb_25
5546 NO2* NH2* gb_1
5547 NC3* NO3* gb_19
5548 NO3* NH3* gb_1
5549 [ exclusions ]
5550 ; ai aj
5551 AC1* AN3
5552 AC1* AC5
5553 AC1* AN7
5554 AN9 AC2
5555 AN9 AC6
5556 AC4 AN1
5557 AC4 AN6
5558 AN3 AC6
5559 AN3 AN7
5560 AN3 AC8
5561 AC2 AN6
5562 AC2 AC5
5563 AN1 AN7
5564 AC6 AC8
5565 AN6 AN7
5566 AO2* AH8*
5567 AO6* AH8*
5568 AO7* AH8*
5569 NC1* NC3
5570 NC1* NC5
5571 NN1 NC4
5572 NN1 NC7
5573 NC6 NC3
5574 NC2 NC5
5575 NC5 NC7
5576 [ angles ]
5577 ; ai aj ak gromos type
5578 AO1P AP AO2P ga_28
5579 AO1P AP AO5* ga_13
5580 AO1P AP O3P ga_13
5581 AO2P AP AO5* ga_13
5582 AO2P AP O3P ga_13
5583 AO5* AP O3P ga_4
5584 AP AO5* AC5* ga_25
5585 AP O3P NP ga_25
5586 O3P NP NO1P ga_13
5587 O3P NP NO2P ga_13
5588 O3P NP NO5* ga_4
5589 NO1P NP NO2P ga_28
5590 NO1P NP NO5* ga_13
5591 NO2P NP NO5* ga_13
5592 NP NO5* NC5* ga_25
5593 AO5* AC5* AC4* ga_8
5594 AC5* AC4* AO4* ga_8
5595 AC5* AC4* AC3* ga_7
5596 AO4* AC4* AC3* ga_8
5597 AC4* AO4* AC1* ga_9
5598 AO4* AC1* AN9 ga_8
5599 AO4* AC1* AC2* ga_8
5600 AN9 AC1* AC2* ga_8
5601 AC1* AN9 AC4 ga_36
5602 AC1* AN9 AC8 ga_36
5603 AC4 AN9 AC8 ga_6
5604 AN9 AC4 AN3 ga_38
5605 AN9 AC4 AC5 ga_6
5606 AN3 AC4 AC5 ga_26
5607 AC4 AN3 AC2 ga_26
5608 AN3 AC2 AN1 ga_26
5609 AC2 AN1 AC6 ga_26
5610 AN1 AC6 AN6 ga_26
5611 AN1 AC6 AC5 ga_26
5612 AN6 AC6 AC5 ga_26
5613 AC6 AN6 AH61 ga_22
5614 AC6 AN6 AH62 ga_22
5615 AH61 AN6 AH62 ga_23
5616 AC4 AC5 AC6 ga_26
5617 AC4 AC5 AN7 ga_6
5618 AC6 AC5 AN7 ga_38
5619 AC5 AN7 AC8 ga_6
5620 AN9 AC8 AN7 ga_6
5621 AC1* AC2* AO2* ga_8
5622 AC1* AC2* AC3* ga_7
5623 AO2* AC2* AC3* ga_8
5624 AC2* AO2* AP2* ga_25
5625 AO2* AP2* AO6* ga_13
5626 AO2* AP2* AO7* ga_13
5627 AO2* AP2* AO8* ga_4
5628 AO6* AP2* AO7* ga_28
5629 AO6* AP2* AO8* ga_13
5630 AO7* AP2* AO8* ga_13
5631 AP2* AO8* AH8* ga_11
5632 AC4* AC3* AC2* ga_7
5633 AC4* AC3* AO3* ga_8
5634 AC2* AC3* AO3* ga_8
5635 AC3* AO3* AH3* ga_11
5636 NO5* NC5* NC4* ga_8
5637 NC5* NC4* NO4* ga_8
5638 NC5* NC4* NC3* ga_7
5639 NO4* NC4* NC3* ga_8
5640 NC4* NO4* NC1* ga_9
5641 NO4* NC1* NN1 ga_8
5642 NO4* NC1* NC2* ga_8
5643 NN1 NC1* NC2* ga_7
5644 NC1* NN1 NC6 ga_26
5645 NC1* NN1 NC2 ga_26
5646 NC6 NN1 NC2 ga_26
5647 NN1 NC6 NC5 ga_26
5648 NN1 NC2 NC3 ga_26
5649 NC2 NC3 NC4 ga_26
5650 NC2 NC3 NC7 ga_26
5651 NC4 NC3 NC7 ga_26
5652 NC3 NC4 NC5 ga_26
5653 NC6 NC5 NC4 ga_26
5654 NC3 NC7 NO7 ga_29
5655 NC3 NC7 NN7 ga_18
5656 NO7 NC7 NN7 ga_32
5657 NC7 NN7 NH71 ga_22
5658 NC7 NN7 NH72 ga_22
5659 NH71 NN7 NH72 ga_23
5660 NC1* NC2* NO2* ga_8
5661 NC1* NC2* NC3* ga_7
5662 NO2* NC2* NC3* ga_8
5663 NC2* NO2* NH2* ga_11
5664 NC4* NC3* NC2* ga_7
5665 NC4* NC3* NO3* ga_8
5666 NC2* NC3* NO3* ga_8
5667 NC3* NO3* NH3* ga_11
5668 [ impropers ]
5669 ; ai aj ak al gromos type
5670 AC4* AO4* AC5* AC3* gi_2
5671 AC3* AC2* AO3* AC4* gi_2
5672 AC2* AO2* AC3* AC1* gi_2
5673 AC1* AN9 AO4* AC2* gi_2
5674 AN9 AC8 AC4 AC1* gi_1
5675 AC4 AN9 AC8 AN7 gi_1
5676 AC8 AN9 AC4 AC5 gi_1
5677 AN9 AC8 AN7 AC5 gi_1
5678 AN9 AC4 AC5 AN7 gi_1
5679 AC8 AN7 AC5 AC4 gi_1
5680 AC4 AN9 AN3 AC5 gi_1
5681 AC5 AC6 AN7 AC4 gi_1
5682 AN3 AC4 AC5 AC6 gi_1
5683 AC4 AC5 AC6 AN1 gi_1
5684 AC5 AC4 AN3 AC2 gi_1
5685 AC5 AC6 AN1 AC2 gi_1
5686 AC4 AN3 AC2 AN1 gi_1
5687 AN3 AC2 AN1 AC6 gi_1
5688 AC6 AC5 AN1 AN6 gi_1
5689 AN6 AH61 AH62 AC6 gi_1
5690 NC4* NO4* NC5* NC3* gi_2
5691 NC3* NC2* NO3* NC4* gi_2
5692 NC2* NO2* NC3* NC1* gi_2
5693 NC1* NN1 NO4* NC2* gi_2
5694 NN1 NC6 NC2 NC1* gi_1
5695 NC2 NN1 NC6 NC5 gi_1
5696 NC6 NN1 NC2 NC3 gi_1
5697 NN1 NC6 NC5 NC4 gi_1
5698 NN1 NC2 NC3 NC4 gi_1
5699 NC6 NC5 NC4 NC3 gi_1
5700 NC2 NC3 NC4 NC5 gi_1
5701 NC3 NC4 NC2 NC7 gi_1
5702 NC7 NO7 NN7 NC3 gi_1
5703 NN7 NH71 NH72 NC7 gi_1
5704 [ dihedrals ]
5705 ; ai aj ak al gromos type
5706 AO5* AP O3P NP gd_11
5707 AO5* AP O3P NP gd_9
5708 O3P AP AO5* AC5* gd_11
5709 O3P AP AO5* AC5* gd_9
5710 AP AO5* AC5* AC4* gd_14
5711 AO5* AC5* AC4* AC3* gd_17
5712 AO5* AC5* AC4* AC3* gd_7
5713 AO5* AC5* AC4* AO4* gd_8
5714 AC5* AC4* AC3* AC2* gd_17
5715 AC5* AC4* AC3* AO3* gd_7
5716 AO4* AC4* AC3* AC2* gd_7
5717 AO4* AC4* AC3* AO3* gd_8
5718 AC4* AC3* AC2* AC1* gd_17
5719 AO3* AC3* AC2* AC1* gd_7
5720 AC4* AC3* AC2* AO2* gd_7
5721 AO3* AC3* AC2* AO2* gd_8
5722 AC3* AC2* AC1* AO4* gd_17
5723 AC3* AC2* AC1* AO4* gd_7
5724 AO2* AC2* AC1* AN9 gd_7
5725 AO2* AC2* AC1* AO4* gd_8
5726 AC3* AC4* AO4* AC1* gd_14
5727 AC4* AO4* AC1* AC2* gd_14
5728 AC1* AC2* AO2* AP2* gd_12
5729 AC2* AO2* AP2* AO8* gd_11
5730 AC2* AO2* AP2* AO8* gd_9
5731 AO2* AP2* AO8* AH8* gd_11
5732 AO2* AP2* AO8* AH8* gd_9
5733 AC4* AC3* AO3* AH3* gd_12
5734 AO4* AC1* AN9 AC4 gd_6
5735 AC5 AC6 AN6 AH61 gd_4
5736 AP O3P NP NO5* gd_11
5737 AP O3P NP NO5* gd_9
5738 O3P NP NO5* NC5* gd_11
5739 O3P NP NO5* NC5* gd_9
5740 NP NO5* NC5* NC4* gd_14
5741 NO5* NC5* NC4* NC3* gd_17
5742 NO5* NC5* NC4* NC3* gd_7
5743 NO5* NC5* NC4* NO4* gd_8
5744 NC5* NC4* NC3* NC2* gd_17
5745 NC5* NC4* NC3* NO3* gd_7
5746 NO4* NC4* NC3* NC2* gd_7
5747 NO4* NC4* NC3* NO3* gd_8
5748 NC4* NC3* NC2* NC1* gd_17
5749 NO3* NC3* NC2* NC1* gd_7
5750 NC4* NC3* NC2* NO2* gd_7
5751 NO3* NC3* NC2* NO2* gd_8
5752 NC3* NC2* NC1* NO4* gd_17
5753 NC3* NC2* NC1* NO4* gd_7
5754 NO2* NC2* NC1* NN1 gd_7
5755 NO2* NC2* NC1* NO4* gd_8
5756 NC3* NC4* NO4* NC1* gd_14
5757 NC4* NO4* NC1* NC2* gd_14
5758 NC1* NC2* NO2* NH2* gd_12
5759 NC4* NC3* NO3* NH3* gd_12
5760 NO4* NC1* NN1 NC2 gd_6
5761 NC2 NC3 NC7 NN7 gd_1
5762 NC3 NC7 NN7 NH71 gd_4
5764 [ NDPHN ]
5765 [ atoms ]
5766 AP P 1.02000 0
5767 AO1P OA -0.54800 0
5768 AH1P H 0.39800 0
5769 AO2P O -0.38000 0
5770 AO5* OA -0.36000 0
5771 O3P OA -0.26000 1
5772 NP P 1.02000 1
5773 NO1P OA -0.54800 1
5774 NH1P H 0.39800 1
5775 NO2P O -0.38000 1
5776 NO5* OA -0.36000 1
5777 AC5* CH2 0.00000 2
5778 AC4* CH1 0.16000 3
5779 AO4* OA -0.36000 3
5780 AC1* CH1 0.20000 3
5781 AN9 NR -0.20000 4
5782 AC4 C 0.20000 4
5783 AN3 NR -0.36000 5
5784 AC2 CR1 0.36000 5
5785 AN1 NR -0.36000 6
5786 AC6 C 0.36000 6
5787 AN6 NT -0.83000 7
5788 AH61 H 0.41500 7
5789 AH62 H 0.41500 7
5790 AC5 C 0.00000 8
5791 AN7 NR -0.36000 8
5792 AC8 CR1 0.36000 8
5793 AC2* CH1 0.15000 9
5794 AO2* OA -0.36000 9
5795 AP2* P 0.89000 9
5796 AO6* O -0.38000 9
5797 AO7* OA -0.54800 9
5798 AH7* H 0.39800 9
5799 AO8* OA -0.54800 9
5800 AH8* H 0.39800 9
5801 AC3* CH1 0.15000 10
5802 AO3* OA -0.54800 10
5803 AH3* H 0.39800 10
5804 NC5* CH2 0.00000 11
5805 NC4* CH1 0.16000 12
5806 NO4* OA -0.36000 12
5807 NC1* CH1 0.20000 12
5808 NN1 NR -0.20000 13
5809 NC6 CR1 0.20000 13
5810 NC2 CR1 0.00000 13
5811 NC3 C 0.00000 13
5812 NC4 CH2 0.00000 13
5813 NC5 CR1 0.00000 13
5814 NC7 C 0.38000 14
5815 NO7 O -0.38000 14
5816 NN7 NT -0.83000 15
5817 NH71 H 0.41500 15
5818 NH72 H 0.41500 15
5819 NC2* CH1 0.15000 16
5820 NO2* OA -0.54800 16
5821 NH2* H 0.39800 16
5822 NC3* CH1 0.15000 17
5823 NO3* OA -0.54800 17
5824 NH3* H 0.39800 17
5825 [ bonds ]
5826 AP AO1P gb_27
5827 AO1P AH1P gb_1
5828 AP AO2P gb_23
5829 AP AO5* gb_27
5830 AP O3P gb_27
5831 AO5* AC5* gb_19
5832 O3P NP gb_27
5833 NP NO1P gb_27
5834 NO1P NH1P gb_1
5835 NP NO2P gb_23
5836 NP NO5* gb_27
5837 NO5* NC5* gb_19
5838 AC5* AC4* gb_25
5839 AC4* AO4* gb_19
5840 AC4* AC3* gb_25
5841 AO4* AC1* gb_19
5842 AC1* AN9 gb_21
5843 AC1* AC2* gb_25
5844 AN9 AC4 gb_9
5845 AN9 AC8 gb_9
5846 AC4 AN3 gb_11
5847 AC4 AC5 gb_15
5848 AN3 AC2 gb_6
5849 AC2 AN1 gb_6
5850 AN1 AC6 gb_11
5851 AC6 AN6 gb_8
5852 AC6 AC5 gb_15
5853 AN6 AH61 gb_2
5854 AN6 AH62 gb_2
5855 AC5 AN7 gb_9
5856 AN7 AC8 gb_9
5857 AC2* AO2* gb_19
5858 AC2* AC3* gb_25
5859 AO2* AP2* gb_27
5860 AP2* AO6* gb_23
5861 AP2* AO7* gb_27
5862 AP2* AO8* gb_27
5863 AO7* AH7* gb_1
5864 AO8* AH8* gb_1
5865 AC3* AO3* gb_19
5866 AO3* AH3* gb_1
5867 NC5* NC4* gb_25
5868 NC4* NO4* gb_19
5869 NC4* NC3* gb_25
5870 NO4* NC1* gb_19
5871 NC1* NN1 gb_22
5872 NC1* NC2* gb_25
5873 NN1 NC6 gb_16
5874 NN1 NC2 gb_16
5875 NC6 NC5 gb_15
5876 NC2 NC3 gb_15
5877 NC3 NC4 gb_14
5878 NC3 NC7 gb_26
5879 NC4 NC5 gb_14
5880 NC7 NO7 gb_4
5881 NC7 NN7 gb_8
5882 NN7 NH71 gb_2
5883 NN7 NH72 gb_2
5884 NC2* NO2* gb_19
5885 NC2* NC3* gb_25
5886 NO2* NH2* gb_1
5887 NC3* NO3* gb_19
5888 NO3* NH3* gb_1
5889 [ exclusions ]
5890 ; ai aj
5891 AH1P AO2P
5892 AH1P AO5*
5893 AH1P O3P
5894 O3P NH1P
5895 NH1P NO2P
5896 NH1P NO5*
5897 AC1* AN3
5898 AC1* AC5
5899 AC1* AN7
5900 AN9 AC2
5901 AN9 AC6
5902 AC4 AN1
5903 AC4 AN6
5904 AN3 AC6
5905 AN3 AN7
5906 AN3 AC8
5907 AC2 AN6
5908 AC2 AC5
5909 AN1 AN7
5910 AC6 AC8
5911 AN6 AN7
5912 AO2* AH7*
5913 AO2* AH8*
5914 AO6* AH7*
5915 AO6* AH8*
5916 AO7* AH8*
5917 AH7* AO8*
5918 AH7* AH8*
5919 NC1* NC3
5920 NC1* NC5
5921 NN1 NC4
5922 NN1 NC7
5923 NC6 NC3
5924 NC2 NC5
5925 NC5 NC7
5926 [ angles ]
5927 ; ai aj ak gromos type
5928 AP AO1P AH1P ga_11
5929 AO1P AP AO2P ga_13
5930 AO1P AP AO5* ga_13
5931 AO1P AP O3P ga_13
5932 AO2P AP AO5* ga_13
5933 AO2P AP O3P ga_13
5934 AO5* AP O3P ga_13
5935 AP AO5* AC5* ga_25
5936 AP O3P NP ga_25
5937 O3P NP NO1P ga_13
5938 O3P NP NO2P ga_13
5939 O3P NP NO5* ga_13
5940 NO1P NP NO2P ga_13
5941 NO1P NP NO5* ga_13
5942 NO2P NP NO5* ga_13
5943 NP NO1P NH1P ga_11
5944 NP NO5* NC5* ga_25
5945 AO5* AC5* AC4* ga_8
5946 AC5* AC4* AO4* ga_8
5947 AC5* AC4* AC3* ga_7
5948 AO4* AC4* AC3* ga_8
5949 AC4* AO4* AC1* ga_9
5950 AO4* AC1* AN9 ga_8
5951 AO4* AC1* AC2* ga_8
5952 AN9 AC1* AC2* ga_8
5953 AC1* AN9 AC4 ga_36
5954 AC1* AN9 AC8 ga_36
5955 AC4 AN9 AC8 ga_6
5956 AN9 AC4 AN3 ga_38
5957 AN9 AC4 AC5 ga_6
5958 AC5 AC4 AN3 ga_26
5959 AC4 AN3 AC2 ga_26
5960 AN3 AC2 AN1 ga_26
5961 AC2 AN1 AC6 ga_26
5962 AN1 AC6 AN6 ga_26
5963 AN1 AC6 AC5 ga_26
5964 AN6 AC6 AC5 ga_26
5965 AC6 AN6 AH61 ga_22
5966 AC6 AN6 AH62 ga_22
5967 AH61 AN6 AH62 ga_23
5968 AC4 AC5 AC6 ga_26
5969 AC4 AC5 AN7 ga_6
5970 AC6 AC5 AN7 ga_38
5971 AC5 AN7 AC8 ga_6
5972 AN9 AC8 AN7 ga_6
5973 AC1* AC2* AO2* ga_8
5974 AC1* AC2* AC3* ga_7
5975 AO2* AC2* AC3* ga_8
5976 AC2* AO2* AP2* ga_25
5977 AO2* AP2* AO6* ga_13
5978 AO2* AP2* AO7* ga_13
5979 AO2* AP2* AO8* ga_13
5980 AO6* AP2* AO7* ga_13
5981 AO6* AP2* AO8* ga_13
5982 AO7* AP2* AO8* ga_13
5983 AP2* AO7* AH7* ga_11
5984 AP2* AO8* AH8* ga_11
5985 AC4* AC3* AC2* ga_7
5986 AC4* AC3* AO3* ga_8
5987 AC2* AC3* AO3* ga_8
5988 AC3* AO3* AH3* ga_11
5989 NO5* NC5* NC4* ga_8
5990 NC5* NC4* NO4* ga_8
5991 NC5* NC4* NC3* ga_7
5992 NO4* NC4* NC3* ga_8
5993 NC4* NO4* NC1* ga_9
5994 NO4* NC1* NN1 ga_8
5995 NO4* NC1* NC2* ga_8
5996 NN1 NC1* NC2* ga_7
5997 NC1* NN1 NC6 ga_26
5998 NC1* NN1 NC2 ga_26
5999 NC6 NN1 NC2 ga_26
6000 NN1 NC6 NC5 ga_26
6001 NN1 NC2 NC3 ga_26
6002 NC2 NC3 NC4 ga_26
6003 NC2 NC3 NC7 ga_26
6004 NC4 NC3 NC7 ga_26
6005 NC3 NC4 NC5 ga_26
6006 NC6 NC5 NC4 ga_26
6007 NC3 NC7 NO7 ga_29
6008 NC3 NC7 NN7 ga_18
6009 NO7 NC7 NN7 ga_32
6010 NC7 NN7 NH71 ga_22
6011 NC7 NN7 NH72 ga_22
6012 NH71 NN7 NH72 ga_23
6013 NC1* NC2* NO2* ga_8
6014 NC1* NC2* NC3* ga_7
6015 NO2* NC2* NC3* ga_8
6016 NC2* NO2* NH2* ga_11
6017 NC4* NC3* NC2* ga_7
6018 NC4* NC3* NO3* ga_8
6019 NC2* NC3* NO3* ga_8
6020 NC3* NO3* NH3* ga_11
6021 [ impropers ]
6022 ; ai aj ak al gromos type
6023 AC4* AO4* AC5* AC3* gi_2
6024 AC3* AC2* AO3* AC4* gi_2
6025 AC2* AO2* AC3* AC1* gi_2
6026 AC1* AN9 AO4* AC2* gi_2
6027 AN9 AC8 AC4 AC1* gi_1
6028 AC4 AN9 AC8 AN7 gi_1
6029 AC8 AN9 AC4 AC5 gi_1
6030 AN9 AC8 AN7 AC5 gi_1
6031 AN9 AC4 AC5 AN7 gi_1
6032 AC8 AN7 AC5 AC4 gi_1
6033 AC4 AN9 AN3 AC5 gi_1
6034 AC5 AC6 AN7 AC4 gi_1
6035 AN3 AC4 AC5 AC6 gi_1
6036 AC4 AC5 AC6 AN1 gi_1
6037 AC5 AC4 AN3 AC2 gi_1
6038 AC5 AC6 AN1 AC2 gi_1
6039 AC4 AN3 AC2 AN1 gi_1
6040 AN3 AC2 AN1 AC6 gi_1
6041 AC6 AC5 AN1 AN6 gi_1
6042 AN6 AH61 AH62 AC6 gi_1
6043 NC4* NO4* NC5* NC3* gi_2
6044 NC3* NC2* NO3* NC4* gi_2
6045 NC2* NO2* NC3* NC1* gi_2
6046 NC1* NN1 NO4* NC2* gi_2
6047 NN1 NC6 NC2 NC1* gi_1
6048 NC2 NN1 NC6 NC5 gi_1
6049 NC6 NN1 NC2 NC3 gi_1
6050 NN1 NC6 NC5 NC4 gi_1
6051 NN1 NC2 NC3 NC4 gi_1
6052 NC6 NC5 NC4 NC3 gi_1
6053 NC2 NC3 NC4 NC5 gi_1
6054 NC3 NC4 NC2 NC7 gi_1
6055 NC7 NO7 NN7 NC3 gi_1
6056 NN7 NH71 NH72 NC7 gi_1
6057 [ dihedrals ]
6058 ; ai aj ak al gromos type
6059 AO5* AP AO1P AH1P gd_11
6060 AO5* AP AO1P AH1P gd_9
6061 AO5* AP O3P NP gd_11
6062 AO5* AP O3P NP gd_9
6063 O3P AP AO5* AC5* gd_11
6064 O3P AP AO5* AC5* gd_9
6065 AP AO5* AC5* AC4* gd_14
6066 AO5* AC5* AC4* AC3* gd_17
6067 AO5* AC5* AC4* AC3* gd_7
6068 AO5* AC5* AC4* AO4* gd_8
6069 AC5* AC4* AC3* AC2* gd_17
6070 AC5* AC4* AC3* AO3* gd_7
6071 AO4* AC4* AC3* AC2* gd_7
6072 AO4* AC4* AC3* AO3* gd_8
6073 AC4* AC3* AC2* AC1* gd_17
6074 AO3* AC3* AC2* AC1* gd_7
6075 AC4* AC3* AC2* AO2* gd_7
6076 AO3* AC3* AC2* AO2* gd_8
6077 AC3* AC2* AC1* AO4* gd_17
6078 AC3* AC2* AC1* AO4* gd_7
6079 AO2* AC2* AC1* AN9 gd_7
6080 AO2* AC2* AC1* AO4* gd_8
6081 AC3* AC4* AO4* AC1* gd_14
6082 AC4* AO4* AC1* AC2* gd_14
6083 AC1* AC2* AO2* AP2* gd_12
6084 AC2* AO2* AP2* AO8* gd_11
6085 AC2* AO2* AP2* AO8* gd_9
6086 AO2* AP2* AO8* AH8* gd_11
6087 AO2* AP2* AO8* AH8* gd_9
6088 AO2* AP2* AO7* AH7* gd_11
6089 AO2* AP2* AO7* AH7* gd_9
6090 AC4* AC3* AO3* AH3* gd_12
6091 AO4* AC1* AN9 AC4 gd_6
6092 AC5 AC6 AN6 AH61 gd_4
6093 AP O3P NP NO5* gd_11
6094 AP O3P NP NO5* gd_9
6095 O3P NP NO5* NC5* gd_11
6096 O3P NP NO5* NC5* gd_9
6097 NO5* NP NO1P NH1P gd_11
6098 NO5* NP NO1P NH1P gd_9
6099 NP NO5* NC5* NC4* gd_14
6100 NO5* NC5* NC4* NC3* gd_17
6101 NO5* NC5* NC4* NC3* gd_7
6102 NO5* NC5* NC4* NO4* gd_8
6103 NC5* NC4* NC3* NC2* gd_17
6104 NC5* NC4* NC3* NO3* gd_7
6105 NO4* NC4* NC3* NC2* gd_7
6106 NO4* NC4* NC3* NO3* gd_8
6107 NC4* NC3* NC2* NC1* gd_17
6108 NO3* NC3* NC2* NC1* gd_7
6109 NC4* NC3* NC2* NO2* gd_7
6110 NO3* NC3* NC2* NO2* gd_8
6111 NC3* NC2* NC1* NO4* gd_17
6112 NC3* NC2* NC1* NO4* gd_7
6113 NO2* NC2* NC1* NN1 gd_7
6114 NO2* NC2* NC1* NO4* gd_8
6115 NC3* NC4* NO4* NC1* gd_14
6116 NC4* NO4* NC1* NC2* gd_14
6117 NC1* NC2* NO2* NH2* gd_12
6118 NC4* NC3* NO3* NH3* gd_12
6119 NO4* NC1* NN1 NC2 gd_6
6120 NC2 NC3 NC7 NN7 gd_1
6121 NC3 NC7 NN7 NH71 gd_4
6123 [ GLCA ]
6124 [ atoms ]
6125 C1 CH1 0.40000 0
6126 O5 OA -0.36000 0
6127 C5 CH1 0.16000 0
6128 C6 CH2 0.15000 1
6129 O6 OA -0.54800 1
6130 H6 H 0.39800 1
6131 C2 CH1 0.15000 2
6132 O2 OA -0.54800 2
6133 H2 H 0.39800 2
6134 C3 CH1 0.15000 3
6135 O3 OA -0.54800 3
6136 H3 H 0.39800 3
6137 C4 CH1 0.160 4
6138 O4 OA -0.360 4
6139 [ bonds ]
6140 C1 O5 gb_19
6141 C1 C2 gb_25
6142 O5 C5 gb_19
6143 C5 C6 gb_25
6144 C5 C4 gb_25
6145 C6 O6 gb_19
6146 O6 H6 gb_1
6147 C2 O2 gb_19
6148 C2 C3 gb_25
6149 O2 H2 gb_1
6150 C3 O3 gb_19
6151 C3 C4 gb_25
6152 O3 H3 gb_1
6153 C4 O4 gb_19
6154 O4 +N gb_19
6155 [ angles ]
6156 ; ai aj ak gromos type
6157 -O C1 O5 ga_8
6158 -O C1 C2 ga_8
6159 O5 C1 C2 ga_8
6160 C1 O5 C5 ga_9
6161 O5 C5 C6 ga_8
6162 O5 C5 C4 ga_8
6163 C6 C5 C4 ga_7
6164 C5 C6 O6 ga_8
6165 C6 O6 H6 ga_11
6166 C1 C2 O2 ga_8
6167 C1 C2 C3 ga_7
6168 O2 C2 C3 ga_8
6169 C2 O2 H2 ga_11
6170 C2 C3 O3 ga_8
6171 C2 C3 C4 ga_7
6172 O3 C3 C4 ga_8
6173 C3 O3 H3 ga_11
6174 C5 C4 C3 ga_7
6175 C5 C4 O4 ga_8
6176 C3 C4 O4 ga_8
6177 C4 O4 +N ga_9
6178 [ impropers ]
6179 ; ai aj ak al gromos type
6180 C1 O5 -O C2 gi_2
6181 C5 O5 C6 C4 gi_2
6182 C2 O2 C3 C1 gi_2
6183 C3 O3 C2 C4 gi_2
6184 C4 C3 O4 C5 gi_2
6185 [ dihedrals ]
6186 ; ai aj ak al gromos type
6187 -C -O C1 C2 gd_14
6188 -O C1 C2 C3 gd_17
6189 -O C1 C2 C3 gd_7
6190 O5 C1 C2 C3 gd_7
6191 O5 C1 C2 O2 gd_8
6192 -O C1 C2 O2 gd_8
6193 C1 C2 O2 H2 gd_12
6194 C1 C2 C3 C4 gd_17
6195 C1 C2 C3 O3 gd_7
6196 O2 C2 C3 C4 gd_7
6197 O2 C2 C3 O3 gd_8
6198 C2 C3 O3 H3 gd_12
6199 C2 C3 C4 C5 gd_17
6200 C2 C3 C4 O4 gd_7
6201 O3 C3 C4 C5 gd_7
6202 O3 C3 C4 O4 gd_8
6203 C2 C1 O5 C5 gd_14
6204 C1 O5 C5 C4 gd_14
6205 C4 C5 C6 O6 gd_17
6206 C4 C5 C6 O6 gd_7
6207 O5 C5 C6 O6 gd_8
6208 C5 C6 O6 H6 gd_12
6209 C6 C5 C4 C3 gd_17
6210 O5 C5 C4 C3 gd_7
6211 C6 C5 C4 O4 gd_7
6212 O5 C5 C4 O4 gd_8
6213 C3 C4 O4 +N gd_14
6215 [ GLCB ]
6216 [ atoms ]
6217 C1 CH1 0.40000 0
6218 O5 OA -0.36000 0
6219 C5 CH1 0.16000 0
6220 C6 CH2 0.15000 1
6221 O6 OA -0.54800 1
6222 H6 H 0.39800 1
6223 C3 CH1 0.15000 2
6224 O3 OA -0.54800 2
6225 H3 H 0.39800 2
6226 C4 CH1 0.15000 3
6227 O4 OA -0.54800 3
6228 H4 H 0.39800 3
6229 C2 CH1 0.160 4
6230 O2 OA -0.360 4
6231 [ bonds ]
6232 C1 O5 gb_19
6233 C1 C2 gb_25
6234 O5 C5 gb_19
6235 C5 C6 gb_25
6236 C5 C4 gb_25
6237 C6 O6 gb_19
6238 O6 H6 gb_1
6239 C3 O3 gb_19
6240 C3 C4 gb_25
6241 C3 C2 gb_25
6242 O3 H3 gb_1
6243 C4 O4 gb_19
6244 O4 H4 gb_1
6245 C2 O2 gb_19
6246 O2 +N gb_19
6247 [ angles ]
6248 ; ai aj ak gromos type
6249 -O C1 O5 ga_8
6250 -O C1 C2 ga_8
6251 O5 C1 C2 ga_8
6252 C1 O5 C5 ga_9
6253 O5 C5 C6 ga_8
6254 O5 C5 C4 ga_8
6255 C6 C5 C4 ga_7
6256 C5 C6 O6 ga_8
6257 C6 O6 H6 ga_11
6258 C4 C3 O3 ga_8
6259 C4 C3 C2 ga_7
6260 O3 C3 C2 ga_8
6261 C3 O3 H3 ga_11
6262 C5 C4 O4 ga_8
6263 C5 C4 C3 ga_7
6264 C3 C4 O4 ga_8
6265 C4 O4 H4 ga_11
6266 C1 C2 C3 ga_7
6267 C1 C2 O2 ga_8
6268 C3 C2 O2 ga_8
6269 C2 O2 +N ga_9
6270 [ impropers ]
6271 ; ai aj ak al gromos type
6272 C1 -O O5 C2 gi_2
6273 C5 O5 C6 C4 gi_2
6274 C3 O3 C2 C4 gi_2
6275 C4 C3 O4 C5 gi_2
6276 C2 O2 C3 C1 gi_2
6277 [ dihedrals ]
6278 ; ai aj ak al gromos type
6279 -C -O C1 C2 gd_14
6280 -O C1 C2 C3 gd_17
6281 -O C1 C2 C3 gd_7
6282 O5 C1 C2 C3 gd_7
6283 O5 C1 C2 O2 gd_8
6284 -O C1 C2 O2 gd_8
6285 C1 C2 C3 C4 gd_17
6286 C1 C2 C3 O3 gd_7
6287 O2 C2 C3 C4 gd_7
6288 O2 C2 C3 O3 gd_8
6289 C2 C3 O3 H3 gd_12
6290 C2 C3 C4 C5 gd_17
6291 C2 C3 C4 O4 gd_7
6292 O3 C3 C4 C5 gd_7
6293 O3 C3 C4 O4 gd_8
6294 C3 C4 O4 H4 gd_12
6295 C2 C1 O5 C5 gd_14
6296 C1 O5 C5 C4 gd_14
6297 C4 C5 C6 O6 gd_17
6298 C4 C5 C6 O6 gd_7
6299 O5 C5 C6 O6 gd_8
6300 C5 C6 O6 H6 gd_12
6301 C6 C5 C4 C3 gd_17
6302 O5 C5 C4 C3 gd_7
6303 C6 C5 C4 O4 gd_7
6304 O5 C5 C4 O4 gd_8
6305 C1 C2 O2 +N gd_14
6307 [ GALB ]
6308 [ atoms ]
6309 C1 CH1 0.40000 0
6310 O5 OA -0.36000 0
6311 C5 CH1 0.16000 0
6312 C6 CH2 0.15000 1
6313 O6 OA -0.54800 1
6314 H6 H 0.39800 1
6315 C2 CH1 0.15000 2
6316 O2 OA -0.54800 2
6317 H2 H 0.39800 2
6318 C4 CH1 0.15000 3
6319 O4 OA -0.54800 3
6320 H4 H 0.39800 3
6321 C3 CH1 0.160 4
6322 O3 OA -0.360 4
6323 [ bonds ]
6324 C1 O5 gb_19
6325 C1 C2 gb_25
6326 O5 C5 gb_19
6327 C5 C6 gb_25
6328 C5 C4 gb_25
6329 C6 O6 gb_19
6330 O6 H6 gb_1
6331 C2 O2 gb_19
6332 C2 C3 gb_25
6333 O2 H2 gb_1
6334 C4 O4 gb_19
6335 C4 C3 gb_25
6336 O4 H4 gb_1
6337 C3 O3 gb_19
6338 O3 +N gb_19
6339 [ angles ]
6340 ; ai aj ak gromos type
6341 -O C1 O5 ga_8
6342 -O C1 C2 ga_8
6343 O5 C1 C2 ga_8
6344 C1 O5 C5 ga_9
6345 O5 C5 C6 ga_8
6346 O5 C5 C4 ga_8
6347 C6 C5 C4 ga_7
6348 C5 C6 O6 ga_8
6349 C6 O6 H6 ga_11
6350 C1 C2 O2 ga_8
6351 C1 C2 C3 ga_7
6352 O2 C2 C3 ga_8
6353 C2 O2 H2 ga_11
6354 C5 C4 O4 ga_8
6355 C5 C4 C3 ga_7
6356 O4 C4 C3 ga_8
6357 C4 O4 H4 ga_11
6358 C2 C3 C4 ga_7
6359 C2 C3 O3 ga_8
6360 C4 C3 O3 ga_8
6361 C3 O3 +N ga_9
6362 [ impropers ]
6363 ; ai aj ak al gromos type
6364 C1 -O O5 C2 gi_2
6365 C5 O5 C6 C4 gi_2
6366 C2 O2 C3 C1 gi_2
6367 C4 O4 C3 C5 gi_2
6368 C3 O3 C2 C4 gi_2
6369 [ dihedrals ]
6370 ; ai aj ak al gromos type
6371 -C -O C1 C2 gd_14
6372 -O C1 C2 C3 gd_17
6373 -O C1 C2 C3 gd_7
6374 O5 C1 C2 C3 gd_7
6375 O5 C1 C2 O2 gd_8
6376 -O C1 C2 O2 gd_8
6377 C1 C2 O2 H2 gd_12
6378 C1 C2 C3 C4 gd_17
6379 C1 C2 C3 O3 gd_7
6380 O2 C2 C3 C4 gd_7
6381 O2 C2 C3 O3 gd_8
6382 C2 C3 C4 C5 gd_17
6383 C2 C3 C4 O4 gd_7
6384 O3 C3 C4 C5 gd_7
6385 O3 C3 C4 O4 gd_8
6386 C3 C4 O4 H4 gd_12
6387 C2 C1 O5 C5 gd_14
6388 C1 O5 C5 C4 gd_14
6389 C4 C5 C6 O6 gd_17
6390 C4 C5 C6 O6 gd_7
6391 O5 C5 C6 O6 gd_8
6392 C5 C6 O6 H6 gd_12
6393 C6 C5 C4 C3 gd_17
6394 O5 C5 C4 C3 gd_7
6395 C6 C5 C4 O4 gd_7
6396 O5 C5 C4 O4 gd_8
6397 C2 C3 O3 +N gd_14
6399 [ HEME ]
6400 [ atoms ]
6401 FE FE 0.40000 0
6402 NA NR -0.10000 0
6403 NB NR -0.10000 0
6404 NC NR -0.10000 0
6405 ND NR -0.10000 0
6406 CHA C -0.10000 1
6407 HHA HC 0.10000 1
6408 C1A C 0.00000 2
6409 C2A C 0.00000 2
6410 C3A C 0.00000 2
6411 C4A C 0.00000 2
6412 CMA CH3 0.00000 3
6413 CAA CH2 0.00000 4
6414 CBA CH2 0.00000 4
6415 CGA C 0.27000 5
6416 O1A OM -0.63500 5
6417 O2A OM -0.63500 5
6418 CHB C -0.10000 6
6419 HHB HC 0.10000 6
6420 C1B C 0.00000 7
6421 C2B C 0.00000 7
6422 C3B C 0.00000 7
6423 C4B C 0.00000 7
6424 CMB CH3 0.00000 8
6425 CAB CR1 0.00000 9
6426 CBB CH2 0.00000 9
6427 CHC C -0.10000 10
6428 HHC HC 0.10000 10
6429 C1C C 0.00000 11
6430 C2C C 0.00000 11
6431 C3C C 0.00000 11
6432 C4C C 0.00000 11
6433 CMC CH3 0.00000 12
6434 CAC CR1 0.00000 13
6435 CBC CH2 0.00000 13
6436 CHD C -0.10000 14
6437 HHD HC 0.10000 14
6438 C1D C 0.00000 15
6439 C2D C 0.00000 15
6440 C3D C 0.00000 15
6441 C4D C 0.00000 15
6442 CMD CH3 0.00000 16
6443 CAD CH2 0.00000 17
6444 CBD CH2 0.00000 17
6445 CGD C 0.27000 18
6446 O1D OM -0.63500 18
6447 O2D OM -0.63500 18
6448 [ bonds ]
6449 FE NA gb_34
6450 FE NB gb_34
6451 FE NC gb_34
6452 FE ND gb_34
6453 NA C1A gb_13
6454 NA C4A gb_13
6455 NB C1B gb_13
6456 NB C4B gb_13
6457 NC C1C gb_13
6458 NC C4C gb_13
6459 ND C1D gb_13
6460 ND C4D gb_13
6461 CHA HHA gb_3
6462 CHA C1A gb_16
6463 CHA C4D gb_16
6464 C1A C2A gb_16
6465 C2A C3A gb_16
6466 C2A CAA gb_26
6467 C3A C4A gb_16
6468 C3A CMA gb_26
6469 C4A CHB gb_16
6470 CAA CBA gb_26
6471 CBA CGA gb_26
6472 CGA O1A gb_5
6473 CGA O2A gb_5
6474 CHB HHB gb_3
6475 CHB C1B gb_16
6476 C1B C2B gb_16
6477 C2B C3B gb_16
6478 C2B CMB gb_26
6479 C3B C4B gb_16
6480 C3B CAB gb_26
6481 C4B CHC gb_16
6482 CAB CBB gb_11
6483 CHC HHC gb_3
6484 CHC C1C gb_16
6485 C1C C2C gb_16
6486 C2C C3C gb_16
6487 C2C CMC gb_26
6488 C3C C4C gb_16
6489 C3C CAC gb_26
6490 C4C CHD gb_16
6491 CAC CBC gb_11
6492 CHD HHD gb_3
6493 CHD C1D gb_16
6494 C1D C2D gb_16
6495 C2D C3D gb_16
6496 C2D CMD gb_26
6497 C3D C4D gb_16
6498 C3D CAD gb_26
6499 CAD CBD gb_26
6500 CBD CGD gb_26
6501 CGD O1D gb_5
6502 CGD O2D gb_5
6503 [ exclusions ]
6504 ; ai aj
6505 FE CHA
6506 FE C2A
6507 FE C3A
6508 FE CHB
6509 FE C2B
6510 FE C3B
6511 FE CHC
6512 FE C2C
6513 FE C3C
6514 FE CHD
6515 FE C2D
6516 FE C3D
6517 NA HHA
6518 NA CMA
6519 NA CAA
6520 NA HHB
6521 NA C1B
6522 NA C4B
6523 NA C1C
6524 NA C4C
6525 NA C1D
6526 NA C4D
6527 NB C1A
6528 NB C4A
6529 NB HHB
6530 NB CMB
6531 NB CAB
6532 NB HHC
6533 NB C1C
6534 NB C4C
6535 NB C1D
6536 NB C4D
6537 NC C1A
6538 NC C4A
6539 NC C1B
6540 NC C4B
6541 NC HHC
6542 NC CMC
6543 NC CAC
6544 NC HHD
6545 NC C1D
6546 NC C4D
6547 ND HHA
6548 ND C1A
6549 ND C4A
6550 ND C1B
6551 ND C4B
6552 ND C1C
6553 ND C4C
6554 ND HHD
6555 ND CMD
6556 ND CAD
6557 CHA C3A
6558 CHA C4A
6559 CHA CAA
6560 CHA C1D
6561 CHA C2D
6562 CHA CAD
6563 HHA C2A
6564 HHA C3D
6565 C1A CMA
6566 C1A CHB
6567 C1A C3D
6568 C2A CHB
6569 C3A HHB
6570 C3A C1B
6571 C4A CAA
6572 C4A C2B
6573 CMA CAA
6574 CMA CHB
6575 CHB C3B
6576 CHB C4B
6577 CHB CMB
6578 HHB C2B
6579 C1B CAB
6580 C1B CHC
6581 C2B CHC
6582 C3B HHC
6583 C3B C1C
6584 C4B CMB
6585 C4B C2C
6586 CMB CAB
6587 CAB CHC
6588 CHC C3C
6589 CHC C4C
6590 CHC CMC
6591 HHC C2C
6592 C1C CAC
6593 C1C CHD
6594 C2C CHD
6595 C3C HHD
6596 C3C C1D
6597 C4C CMC
6598 C4C C2D
6599 CMC CAC
6600 CAC CHD
6601 CHD C3D
6602 CHD C4D
6603 CHD CMD
6604 HHD C2D
6605 C1D CAD
6606 C4D CMD
6607 CMD CAD
6608 [ angles ]
6609 ; ai aj ak gromos type
6610 NA FE NB ga_1
6611 NB FE NC ga_1
6612 NC FE ND ga_1
6613 NA FE ND ga_1
6614 FE NA C1A ga_35
6615 FE NA C4A ga_35
6616 C1A NA C4A ga_5
6617 FE NB C1B ga_35
6618 FE NB C4B ga_35
6619 C1B NB C4B ga_5
6620 FE NC C1C ga_35
6621 FE NC C4C ga_35
6622 C1C NC C4C ga_5
6623 FE ND C1D ga_35
6624 FE ND C4D ga_35
6625 C1D ND C4D ga_5
6626 C1A CHA HHA ga_19
6627 C1A CHA C4D ga_36
6628 HHA CHA C4D ga_19
6629 NA C1A CHA ga_32
6630 NA C1A C2A ga_14
6631 CHA C1A C2A ga_37
6632 C1A C2A C3A ga_6
6633 C1A C2A CAA ga_36
6634 C3A C2A CAA ga_36
6635 C2A C3A C4A ga_6
6636 C2A C3A CMA ga_36
6637 C4A C3A CMA ga_36
6638 NA C4A C3A ga_14
6639 NA C4A CHB ga_32
6640 C3A C4A CHB ga_37
6641 C2A CAA CBA ga_14
6642 CAA CBA CGA ga_14
6643 CBA CGA O1A ga_21
6644 CBA CGA O2A ga_21
6645 O1A CGA O2A ga_37
6646 C4A CHB HHB ga_19
6647 C4A CHB C1B ga_36
6648 HHB CHB C1B ga_19
6649 NB C1B CHB ga_32
6650 NB C1B C2B ga_14
6651 CHB C1B C2B ga_37
6652 C1B C2B C3B ga_6
6653 C1B C2B CMB ga_36
6654 C3B C2B CMB ga_36
6655 C2B C3B C4B ga_6
6656 C2B C3B CAB ga_36
6657 C4B C3B CAB ga_36
6658 NB C4B C3B ga_14
6659 NB C4B CHC ga_32
6660 C3B C4B CHC ga_37
6661 C3B CAB CBB ga_36
6662 C4B CHC HHC ga_19
6663 C4B CHC C1C ga_36
6664 HHC CHC C1C ga_19
6665 NC C1C CHC ga_32
6666 NC C1C C2C ga_14
6667 CHC C1C C2C ga_37
6668 C1C C2C C3C ga_6
6669 C1C C2C CMC ga_36
6670 C3C C2C CMC ga_36
6671 C2C C3C C4C ga_6
6672 C2C C3C CAC ga_36
6673 C4C C3C CAC ga_36
6674 NC C4C C3C ga_14
6675 NC C4C CHD ga_32
6676 C3C C4C CHD ga_37
6677 C3C CAC CBC ga_36
6678 C4C CHD HHD ga_19
6679 C4C CHD C1D ga_36
6680 HHD CHD C1D ga_19
6681 ND C1D CHD ga_32
6682 ND C1D C2D ga_14
6683 CHD C1D C2D ga_37
6684 C1D C2D C3D ga_6
6685 C1D C2D CMD ga_36
6686 C3D C2D CMD ga_36
6687 C2D C3D C4D ga_6
6688 C2D C3D CAD ga_36
6689 C4D C3D CAD ga_36
6690 ND C4D CHA ga_32
6691 ND C4D C3D ga_14
6692 CHA C4D C3D ga_37
6693 C3D CAD CBD ga_14
6694 CAD CBD CGD ga_14
6695 CBD CGD O1D ga_21
6696 CBD CGD O2D ga_21
6697 O1D CGD O2D ga_37
6698 [ impropers ]
6699 ; ai aj ak al gromos type
6700 FE C1A C4A NA gi_3
6701 FE C1B C4B NB gi_3
6702 FE C1C C4C NC gi_3
6703 FE C1D C4D ND gi_3
6704 CHA NA C2A C1A gi_1
6705 CHB NA C3A C4A gi_1
6706 CHB NB C2B C1B gi_1
6707 CHC NB C3B C4B gi_1
6708 CHC NC C2C C1C gi_1
6709 CHD NC C3C C4C gi_1
6710 CHD ND C2D C1D gi_1
6711 CHA ND C3D C4D gi_1
6712 C2A C1A C3A CAA gi_1
6713 C3A C2A C4A CMA gi_1
6714 C2B C1B C3B CMB gi_1
6715 C3B C2B C4B CAB gi_1
6716 C2C C1C C3C CMC gi_1
6717 C3C C2C C4C CAC gi_1
6718 C2D C1D C3D CMD gi_1
6719 C3D C2D C4D CAD gi_1
6720 CBA O1A O2A CGA gi_1
6721 CBD O1D O2D CGD gi_1
6722 CHA C4D C1A HHA gi_1
6723 CHB C4A C1B HHB gi_1
6724 CHC C4B C1C HHC gi_1
6725 CHD C4C C1D HHD gi_1
6726 NA C1A C2A C3A gi_1
6727 C1A C2A C3A C4A gi_1
6728 C2A C3A C4A NA gi_1
6729 C1A NA C4A C3A gi_1
6730 C2A C1A NA C4A gi_1
6731 NB C1B C2B C3B gi_1
6732 C1B C2B C3B C4B gi_1
6733 NB C4B C3B C2B gi_1
6734 C4B NB C1B C2B gi_1
6735 C1B NB C4B C3B gi_1
6736 NC C1C C2C C3C gi_1
6737 C1C C2C C3C C4C gi_1
6738 NC C4C C3C C2C gi_1
6739 C4C NC C1C C2C gi_1
6740 C1C NC C4C C3C gi_1
6741 ND C1D C2D C3D gi_1
6742 C1D C2D C3D C4D gi_1
6743 ND C4D C3D C2D gi_1
6744 C4D ND C1D C2D gi_1
6745 C1D ND C4D C3D gi_1
6746 [ dihedrals ]
6747 ; ai aj ak al gromos type
6748 NA C4A CHB C1B gd_5
6749 C4A CHB C1B NB gd_5
6750 NB C4B CHC C1C gd_5
6751 C4B CHC C1C NC gd_5
6752 NC C4C CHD C1D gd_5
6753 C4C CHD C1D ND gd_5
6754 ND C4D CHA C1A gd_5
6755 C4D CHA C1A NA gd_5
6756 C1A C2A CAA CBA gd_20
6757 C2A CAA CBA CGA gd_17
6758 CAA CBA CGA O1A gd_20
6759 C2B C3B CAB CBB gd_3
6760 C2C C3C CAC CBC gd_3
6761 C2D C3D CAD CBD gd_20
6762 C3D CAD CBD CGD gd_17
6763 CAD CBD CGD O1D gd_20
6764 ND FE NA C1A 0 0 4
6765 NA FE NB C1B 0 0 4
6766 NB FE NC C1C 0 0 4
6767 NC FE ND C1D 0 0 4
6768 [ CYT* ]
6769 [ atoms ]
6770 C4* CH1 0.16000 0
6771 O4* OA -0.36000 0
6772 C1* CH1 0.20000 0
6773 N1 NR -0.20000 1
6774 C6 CR1 0.20000 1
6775 C2 C 0.38000 2
6776 O2 O -0.38000 2
6777 N3 NR -0.36000 3
6778 C4 C 0.36000 3
6779 N4 NT -0.83000 4
6780 H41 H 0.41500 4
6781 H42 H 0.41500 4
6782 C5 CR1 0.00000 5
6783 C2* CH1 0.15000 6
6784 O2* OA -0.54800 6
6785 H2* H 0.39800 6
6786 C3* CH1 0.00000 7
6787 O3* OA -0.36000 8
6788 SI1 P 0.54000 8
6789 OSI OA -0.36000 8
6790 SI2 P 0.54000 8
6791 O5* OA -0.36000 8
6792 C5* CH2 0.00000 9
6793 C11 CH1 0.00000 10
6794 C111 CH3 0.00000 10
6795 C112 CH3 0.00000 10
6796 C12 CH1 0.00000 11
6797 C121 CH3 0.00000 11
6798 C122 CH3 0.00000 11
6799 C21 CH1 0.00000 12
6800 C211 CH3 0.00000 12
6801 C212 CH3 0.00000 12
6802 C22 CH1 0.00000 13
6803 C221 CH3 0.00000 13
6804 C222 CH3 0.00000 13
6805 [ bonds ]
6806 C4* O4* gb_19
6807 C4* C3* gb_25
6808 C4* C5* gb_25
6809 O4* C1* gb_19
6810 C1* N1 gb_22
6811 C1* C2* gb_25
6812 N1 C6 gb_16
6813 N1 C2 gb_16
6814 C6 C5 gb_15
6815 C2 O2 gb_4
6816 C2 N3 gb_11
6817 N3 C4 gb_11
6818 C4 N4 gb_8
6819 C4 C5 gb_15
6820 N4 H41 gb_2
6821 N4 H42 gb_2
6822 C2* O2* gb_19
6823 C2* C3* gb_25
6824 O2* H2* gb_1
6825 C3* O3* gb_19
6826 O3* SI1 gb_28
6827 SI1 OSI gb_28
6828 SI1 C11 gb_31
6829 SI1 C12 gb_31
6830 OSI SI2 gb_28
6831 SI2 O5* gb_28
6832 SI2 C21 gb_31
6833 SI2 C22 gb_31
6834 O5* C5* gb_19
6835 C11 C111 gb_26
6836 C11 C112 gb_26
6837 C12 C121 gb_26
6838 C12 C122 gb_26
6839 C21 C211 gb_26
6840 C21 C212 gb_26
6841 C22 C221 gb_26
6842 C22 C222 gb_26
6843 [ exclusions ]
6844 ; ai aj
6845 C1* O2
6846 C1* N3
6847 C1* C5
6848 N1 C4
6849 C6 O2
6850 C6 N3
6851 C6 N4
6852 C2 N4
6853 C2 C5
6854 O2 C4
6855 [ angles ]
6856 ; ai aj ak gromos type
6857 O4* C4* C3* ga_8
6858 O4* C4* C5* ga_8
6859 C3* C4* C5* ga_7
6860 C4* O4* C1* ga_9
6861 O4* C1* N1 ga_8
6862 O4* C1* C2* ga_8
6863 N1 C1* C2* ga_7
6864 C1* N1 C6 ga_26
6865 C1* N1 C2 ga_26
6866 C6 N1 C2 ga_26
6867 N1 C6 C5 ga_26
6868 N1 C2 O2 ga_26
6869 N1 C2 N3 ga_26
6870 O2 C2 N3 ga_26
6871 C2 N3 C4 ga_26
6872 N3 C4 N4 ga_26
6873 N3 C4 C5 ga_26
6874 N4 C4 C5 ga_26
6875 C4 N4 H41 ga_22
6876 C4 N4 H42 ga_22
6877 H41 N4 H42 ga_23
6878 C6 C5 C4 ga_26
6879 C1* C2* O2* ga_8
6880 C1* C2* C3* ga_7
6881 O2* C2* C3* ga_8
6882 C2* O2* H2* ga_11
6883 C4* C3* C2* ga_7
6884 C4* C3* O3* ga_8
6885 C2* C3* O3* ga_8
6886 C3* O3* SI1 ga_25
6887 O3* SI1 OSI ga_11
6888 O3* SI1 C11 ga_11
6889 O3* SI1 C12 ga_11
6890 OSI SI1 C11 ga_11
6891 OSI SI1 C12 ga_11
6892 C11 SI1 C12 ga_11
6893 SI1 OSI SI2 ga_39
6894 OSI SI2 O5* ga_11
6895 OSI SI2 C21 ga_11
6896 OSI SI2 C22 ga_11
6897 O5* SI2 C21 ga_11
6898 O5* SI2 C22 ga_11
6899 C21 SI2 C22 ga_11
6900 SI2 O5* C5* ga_25
6901 C4* C5* O5* ga_8
6902 SI1 C11 C111 ga_12
6903 SI1 C11 C112 ga_12
6904 C111 C11 C112 ga_14
6905 SI1 C12 C121 ga_12
6906 SI1 C12 C122 ga_12
6907 C121 C12 C122 ga_14
6908 SI2 C21 C211 ga_12
6909 SI2 C21 C212 ga_12
6910 C211 C21 C212 ga_14
6911 SI2 C22 C221 ga_12
6912 SI2 C22 C222 ga_12
6913 C221 C22 C222 ga_14
6914 [ impropers ]
6915 ; ai aj ak al gromos type
6916 C4* O4* C5* C3* gi_2
6917 C3* C2* O3* C4* gi_2
6918 C2* O2* C3* C1* gi_2
6919 C1* N1 O4* C2* gi_2
6920 N1 C6 C2 C1* gi_1
6921 C2 N1 C6 C5 gi_1
6922 C6 N1 C2 N3 gi_1
6923 N1 C6 C5 C4 gi_1
6924 N1 C2 N3 C4 gi_1
6925 C6 C5 C4 N3 gi_1
6926 C2 N3 C4 C5 gi_1
6927 C2 N3 N1 O2 gi_1
6928 C4 C5 N3 N4 gi_1
6929 N4 H41 H42 C4 gi_1
6930 C11 C112 C111 SI1 gi_2
6931 C12 C122 C121 SI1 gi_2
6932 C21 C212 C211 SI2 gi_2
6933 C22 C222 C221 SI2 gi_2
6934 [ dihedrals ]
6935 ; ai aj ak al gromos type
6936 O5* C5* C4* C3* gd_17
6937 O5* C5* C4* C3* gd_7
6938 O5* C5* C4* O4* gd_8
6939 C5* C4* C3* C2* gd_17
6940 C5* C4* C3* O3* gd_7
6941 O4* C4* C3* C2* gd_7
6942 O4* C4* C3* O3* gd_8
6943 C4* C3* C2* C1* gd_17
6944 O3* C3* C2* C1* gd_7
6945 C4* C3* C2* O2* gd_7
6946 O3* C3* C2* O2* gd_8
6947 C3* C2* C1* O4* gd_17
6948 C3* C2* C1* O4* gd_7
6949 O2* C2* C1* N1 gd_7
6950 O2* C2* C1* O4* gd_8
6951 C3* C4* O4* C1* gd_14
6952 C4* O4* C1* C2* gd_14
6953 O4* C1* N1 C2 gd_6
6954 N3 C4 N4 H41 gd_4
6955 C1* C2* O2* H2* gd_12
6956 C4* C3* O3* SI1 gd_14
6957 C3* O3* SI1 OSI gd_14
6958 O3* SI1 OSI SI2 gd_14
6959 SI1 OSI SI2 O5* gd_14
6960 OSI SI2 O5* C5* gd_14
6961 SI2 O5* C5* C4* gd_14
6962 O3* SI1 C11 C111 gd_17
6963 O3* SI1 C12 C121 gd_17
6964 O5* SI2 C21 C211 gd_17
6965 O5* SI2 C22 C221 gd_17
6967 [ MTXH ]
6968 [ atoms ]
6969 N1 NR -0.28000 0
6970 HA1 H 0.28000 0
6971 C2 C 0.00000 0
6972 NA2 NT -0.83000 1
6973 HA21 H 0.41500 1
6974 HA22 H 0.41500 1
6975 N3 NR -0.36000 2
6976 C4 C 0.36000 2
6977 NA4 NT -0.83000 3
6978 HA41 H 0.41500 3
6979 HA42 H 0.41500 3
6980 C4A C 0.00000 4
6981 N5 NR -0.36000 4
6982 C6 C 0.36000 4
6983 C7 CR1 0.36000 5
6984 N8 NR -0.36000 5
6985 C8A C 0.00000 5
6986 C9 CH2 0.00000 6
6987 N10 NE 0.00000 6
6988 CM10 CH3 0.00000 6
6989 C14 C 0.00000 7
6990 C13 CR1 0.00000 7
6991 C15 CR1 0.00000 7
6992 C12 CR1 0.00000 8
6993 C16 CR1 0.00000 8
6994 C11 C 0.00000 8
6995 C C 0.38000 9
6996 O O -0.38000 9
6997 N N -0.28000 10
6998 H H 0.28000 10
6999 CA CH1 0.00000 11
7000 CB CH2 0.00000 11
7001 CG CH2 0.00000 11
7002 CD C 0.27000 12
7003 OE1 OM -0.63500 12
7004 OE2 OM -0.63500 12
7005 CT C 0.27000 13
7006 O1 OM -0.63500 13
7007 O2 OM -0.63500 13
7008 [ bonds ]
7009 N1 HA1 gb_2
7010 N1 C2 gb_16
7011 N1 C8A gb_16
7012 C2 NA2 gb_8
7013 C2 N3 gb_11
7014 NA2 HA21 gb_2
7015 NA2 HA22 gb_2
7016 N3 C4 gb_11
7017 C4 NA4 gb_8
7018 C4 C4A gb_15
7019 NA4 HA41 gb_2
7020 NA4 HA42 gb_2
7021 C4A N5 gb_11
7022 C4A C8A gb_15
7023 N5 C6 gb_11
7024 C6 C7 gb_15
7025 C6 C9 gb_26
7026 C7 N8 gb_6
7027 N8 C8A gb_11
7028 C9 N10 gb_20
7029 N10 CM10 gb_20
7030 N10 C14 gb_10
7031 C14 C13 gb_15
7032 C14 C15 gb_15
7033 C13 C12 gb_15
7034 C15 C16 gb_15
7035 C12 C11 gb_15
7036 C16 C11 gb_15
7037 C11 C gb_26
7038 C O gb_4
7039 C N gb_9
7040 N H gb_2
7041 N CA gb_20
7042 CA CB gb_26
7043 CA CT gb_26
7044 CB CG gb_26
7045 CG CD gb_26
7046 CD OE1 gb_5
7047 CD OE2 gb_5
7048 CT O1 gb_5
7049 CT O2 gb_5
7050 [ exclusions ]
7051 ; ai aj
7052 N1 C4
7053 N1 N5
7054 N1 C7
7055 HA1 NA2
7056 HA1 N3
7057 HA1 C4A
7058 HA1 N8
7059 C2 NA4
7060 C2 C4A
7061 C2 N8
7062 NA2 C4
7063 NA2 C8A
7064 N3 N5
7065 N3 C8A
7066 C4 C6
7067 C4 N8
7068 NA4 N5
7069 NA4 C8A
7070 C4A C7
7071 C4A C9
7072 N5 N8
7073 C6 C8A
7074 N8 C9
7075 N10 C12
7076 N10 C16
7077 C14 C11
7078 C13 C16
7079 C13 C
7080 C15 C12
7081 C15 C
7082 [ angles ]
7083 ; ai aj ak gromos type
7084 HA1 N1 C2 ga_24
7085 HA1 N1 C8A ga_24
7086 C2 N1 C8A ga_26
7087 N1 C2 NA2 ga_26
7088 N1 C2 N3 ga_26
7089 NA2 C2 N3 ga_26
7090 C2 NA2 HA21 ga_22
7091 C2 NA2 HA22 ga_22
7092 HA21 NA2 HA22 ga_23
7093 C2 N3 C4 ga_26
7094 N3 C4 NA4 ga_26
7095 N3 C4 C4A ga_26
7096 NA4 C4 C4A ga_26
7097 C4 NA4 HA41 ga_22
7098 C4 NA4 HA42 ga_22
7099 HA41 NA4 HA42 ga_23
7100 C4 C4A N5 ga_26
7101 C4 C4A C8A ga_26
7102 N5 C4A C8A ga_26
7103 C4A N5 C6 ga_26
7104 N5 C6 C7 ga_26
7105 N5 C6 C9 ga_26
7106 C7 C6 C9 ga_26
7107 C6 C7 N8 ga_26
7108 C7 N8 C8A ga_26
7109 N1 C8A C4A ga_26
7110 N1 C8A N8 ga_26
7111 C4A C8A N8 ga_26
7112 C6 C9 N10 ga_14
7113 C9 N10 CM10 ga_19
7114 C9 N10 C14 ga_32
7115 CM10 N10 C14 ga_22
7116 N10 C14 C13 ga_26
7117 N10 C14 C15 ga_26
7118 C13 C14 C15 ga_26
7119 C14 C13 C12 ga_26
7120 C14 C15 C16 ga_26
7121 C13 C12 C11 ga_26
7122 C15 C16 C11 ga_26
7123 C12 C11 C16 ga_26
7124 C12 C11 C ga_26
7125 C16 C11 C ga_26
7126 C11 C O ga_29
7127 C11 C N ga_18
7128 O C N ga_32
7129 C N H ga_31
7130 C N CA ga_30
7131 H N CA ga_17
7132 N CA CB ga_12
7133 N CA CT ga_12
7134 CB CA CT ga_12
7135 CA CB CG ga_14
7136 CB CG CD ga_14
7137 CG CD OE1 ga_21
7138 CG CD OE2 ga_21
7139 OE1 CD OE2 ga_37
7140 CA CT O1 ga_21
7141 CA CT O2 ga_21
7142 O1 CT O2 ga_37
7143 [ impropers ]
7144 ; ai aj ak al gromos type
7145 N1 C2 C8A HA1 gi_1
7146 C2 N1 N3 NA2 gi_1
7147 NA2 HA21 HA22 C2 gi_1
7148 C4 N3 C4A NA4 gi_1
7149 NA4 HA41 HA42 C4 gi_1
7150 N1 C2 N3 C4 gi_1
7151 C2 N3 C4 C4A gi_1
7152 N3 C4 C4A C8A gi_1
7153 C4 C4A C8A N1 gi_1
7154 C4A C8A N1 C2 gi_1
7155 C8A N1 C2 N3 gi_1
7156 C4A C4 N5 C8A gi_1
7157 C8A N1 N8 C4A gi_1
7158 C4A N5 C6 C7 gi_1
7159 N5 C6 C7 N8 gi_1
7160 C6 C7 N8 C8A gi_1
7161 C7 N8 C8A C4A gi_1
7162 N8 C8A C4A N5 gi_1
7163 C8A C4A N5 C6 gi_1
7164 C6 N5 C7 C9 gi_1
7165 N10 C9 C14 CM10 gi_1
7166 C14 C13 C15 N10 gi_1
7167 C14 C13 C12 C11 gi_1
7168 C14 C15 C16 C11 gi_1
7169 C13 C14 C15 C16 gi_1
7170 C15 C14 C13 C12 gi_1
7171 C13 C12 C11 C16 gi_1
7172 C15 C16 C11 C12 gi_1
7173 C11 C12 C16 C gi_1
7174 C C11 N O gi_1
7175 N C CA H gi_1
7176 CA N CT CB gi_2
7177 CD OE1 OE2 CG gi_1
7178 CT CA O2 O1 gi_1
7179 [ dihedrals ]
7180 ; ai aj ak al gromos type
7181 N1 C2 NA2 HA21 gd_4
7182 C4A C4 NA4 HA41 gd_4
7183 N5 C6 C9 N10 gd_20
7184 C6 C9 N10 C14 gd_19
7185 C9 N10 C14 C13 gd_4
7186 C12 C11 C N gd_1
7187 C11 C N CA gd_4
7188 C N CA CT gd_19
7189 N CA CT O1 gd_20
7190 N CA CB CG gd_17
7191 CA CB CG CD gd_17
7192 CB CG CD OE1 gd_20
7194 [ FOL ]
7195 [ atoms ]
7196 N1 NR -0.36000 0
7197 C2 C 0.36000 0
7198 NA2 NT -0.83000 1
7199 HA21 H 0.41500 1
7200 HA22 H 0.41500 1
7201 N3 NR -0.28000 2
7202 HA3 H 0.28000 2
7203 C4 C 0.38000 3
7204 OA4 O -0.38000 3
7205 C4A C 0.00000 4
7206 N5 NR -0.36000 4
7207 C6 C 0.36000 4
7208 C7 CR1 0.36000 5
7209 N8 NR -0.36000 5
7210 C8A C 0.00000 5
7211 C9 CH2 0.00000 6
7212 N10 NE -0.28000 6
7213 H10 H 0.28000 6
7214 C14 C 0.00000 7
7215 C13 CR1 0.00000 7
7216 C15 CR1 0.00000 7
7217 C12 CR1 0.00000 8
7218 C16 CR1 0.00000 8
7219 C11 C 0.00000 8
7220 C C 0.38000 9
7221 O O -0.38000 9
7222 N N -0.28000 10
7223 H H 0.28000 10
7224 CA CH1 0.00000 11
7225 CB CH2 0.00000 11
7226 CG CH2 0.00000 11
7227 CD C 0.27000 12
7228 OE1 OM -0.63500 12
7229 OE2 OM -0.63500 12
7230 CT C 0.27000 13
7231 O1 OM -0.63500 13
7232 O2 OM -0.63500 13
7233 [ bonds ]
7234 N1 C2 gb_11
7235 N1 C8A gb_11
7236 C2 NA2 gb_8
7237 C2 N3 gb_16
7238 NA2 HA21 gb_2
7239 NA2 HA22 gb_2
7240 N3 HA3 gb_2
7241 N3 C4 gb_16
7242 C4 OA4 gb_4
7243 C4 C4A gb_15
7244 C4A N5 gb_11
7245 C4A C8A gb_15
7246 N5 C6 gb_11
7247 C6 C7 gb_15
7248 C6 C9 gb_26
7249 C7 N8 gb_6
7250 N8 C8A gb_11
7251 C9 N10 gb_20
7252 N10 H10 gb_2
7253 N10 C14 gb_10
7254 C14 C13 gb_15
7255 C14 C15 gb_15
7256 C13 C12 gb_15
7257 C15 C16 gb_15
7258 C12 C11 gb_15
7259 C16 C11 gb_15
7260 C11 C gb_26
7261 C O gb_4
7262 C N gb_9
7263 N H gb_2
7264 N CA gb_20
7265 CA CB gb_26
7266 CA CT gb_26
7267 CB CG gb_26
7268 CG CD gb_26
7269 CD OE1 gb_5
7270 CD OE2 gb_5
7271 CT O1 gb_5
7272 CT O2 gb_5
7273 [ exclusions ]
7274 ; ai aj
7275 N1 HA3
7276 N1 C4
7277 N1 N5
7278 N1 C7
7279 C2 OA4
7280 C2 C4A
7281 C2 N8
7282 NA2 HA3
7283 NA2 C4
7284 NA2 C8A
7285 N3 N5
7286 N3 C8A
7287 HA3 OA4
7288 HA3 C4A
7289 C4 C6
7290 C4 N8
7291 OA4 N5
7292 OA4 C8A
7293 C4A C7
7294 C4A C9
7295 N5 N8
7296 C6 C8A
7297 N8 C9
7298 N10 C12
7299 N10 C16
7300 C14 C11
7301 C13 C16
7302 C13 C
7303 C15 C12
7304 C15 C
7305 [ angles ]
7306 ; ai aj ak gromos type
7307 C2 N1 C8A ga_26
7308 N1 C2 NA2 ga_26
7309 N1 C2 N3 ga_26
7310 NA2 C2 N3 ga_26
7311 C2 NA2 HA21 ga_22
7312 C2 NA2 HA22 ga_22
7313 HA21 NA2 HA22 ga_23
7314 C2 N3 HA3 ga_24
7315 C2 N3 C4 ga_26
7316 HA3 N3 C4 ga_24
7317 N3 C4 OA4 ga_26
7318 N3 C4 C4A ga_26
7319 OA4 C4 C4A ga_26
7320 C4 C4A N5 ga_26
7321 C4 C4A C8A ga_26
7322 N5 C4A C8A ga_26
7323 C4A N5 C6 ga_26
7324 N5 C6 C7 ga_26
7325 N5 C6 C9 ga_26
7326 C7 C6 C9 ga_26
7327 C6 C7 N8 ga_26
7328 C7 N8 C8A ga_26
7329 N1 C8A C4A ga_26
7330 N1 C8A N8 ga_26
7331 C4A C8A N8 ga_26
7332 C6 C9 N10 ga_14
7333 C9 N10 H10 ga_19
7334 C9 N10 C14 ga_32
7335 H10 N10 C14 ga_22
7336 N10 C14 C13 ga_26
7337 N10 C14 C15 ga_26
7338 C13 C14 C15 ga_26
7339 C14 C13 C12 ga_26
7340 C14 C15 C16 ga_26
7341 C13 C12 C11 ga_26
7342 C15 C16 C11 ga_26
7343 C12 C11 C16 ga_26
7344 C12 C11 C ga_26
7345 C16 C11 C ga_26
7346 C11 C O ga_29
7347 C11 C N ga_18
7348 O C N ga_32
7349 C N H ga_31
7350 C N CA ga_30
7351 H N CA ga_17
7352 N CA CB ga_12
7353 N CA CT ga_12
7354 CB CA CT ga_12
7355 CA CB CG ga_14
7356 CB CG CD ga_14
7357 CG CD OE1 ga_21
7358 CG CD OE2 ga_21
7359 OE1 CD OE2 ga_37
7360 CA CT O1 ga_21
7361 CA CT O2 ga_21
7362 O1 CT O2 ga_37
7363 [ impropers ]
7364 ; ai aj ak al gromos type
7365 C2 N1 N3 NA2 gi_1
7366 NA2 HA21 HA22 C2 gi_1
7367 N3 C2 C4 HA3 gi_1
7368 C4 N3 C4A OA4 gi_1
7369 N1 C2 N3 C4 gi_1
7370 C2 N3 C4 C4A gi_1
7371 N3 C4 C4A C8A gi_1
7372 C4 C4A C8A N1 gi_1
7373 C4A C8A N1 C2 gi_1
7374 C8A N1 C2 N3 gi_1
7375 C4A C4 N5 C8A gi_1
7376 C8A N1 N8 C4A gi_1
7377 C4A N5 C6 C7 gi_1
7378 N5 C6 C7 N8 gi_1
7379 C6 C7 N8 C8A gi_1
7380 C7 N8 C8A C4A gi_1
7381 N8 C8A C4A N5 gi_1
7382 C8A C4A N5 C6 gi_1
7383 C6 N5 C7 C9 gi_1
7384 N10 C9 C14 H10 gi_1
7385 C14 C13 C15 N10 gi_1
7386 C14 C13 C12 C11 gi_1
7387 C14 C15 C16 C11 gi_1
7388 C13 C14 C15 C16 gi_1
7389 C15 C14 C13 C12 gi_1
7390 C13 C12 C11 C16 gi_1
7391 C15 C16 C11 C12 gi_1
7392 C11 C12 C16 C gi_1
7393 C C11 N O gi_1
7394 N C CA H gi_1
7395 CA N CT CB gi_2
7396 CD OE1 OE2 CG gi_1
7397 CT CA O2 O1 gi_1
7398 [ dihedrals ]
7399 ; ai aj ak al gromos type
7400 N1 C2 NA2 HA21 gd_4
7401 N5 C6 C9 N10 gd_20
7402 C6 C9 N10 C14 gd_19
7403 C9 N10 C14 C13 gd_4
7404 C12 C11 C N gd_1
7405 C11 C N CA gd_4
7406 C N CA CT gd_19
7407 N CA CT O1 gd_20
7408 N CA CB CG gd_17
7409 CA CB CG CD gd_17
7410 CB CG CD OE1 gd_20
7412 [ DHF ]
7413 [ atoms ]
7414 N1 NR -0.36000 0
7415 C2 C 0.36000 0
7416 NA2 NT -0.83000 1
7417 HA21 H 0.41500 1
7418 HA22 H 0.41500 1
7419 N3 NR -0.28000 2
7420 HA3 H 0.28000 2
7421 C4 C 0.38000 3
7422 OA4 O -0.38000 3
7423 C4A C 0.00000 4
7424 N5 NR -0.36000 4
7425 C6 C 0.36000 4
7426 C7 CH2 0.00000 5
7427 N8 NR -0.28000 5
7428 HA8 H 0.28000 5
7429 C8A C 0.00000 5
7430 C9 CH2 0.00000 6
7431 N10 NE -0.28000 6
7432 H10 H 0.28000 6
7433 C14 C 0.00000 7
7434 C13 CR1 0.00000 7
7435 C15 CR1 0.00000 7
7436 C12 CR1 0.00000 8
7437 C16 CR1 0.00000 8
7438 C11 C 0.00000 8
7439 C C 0.38000 9
7440 O O -0.38000 9
7441 N N -0.28000 10
7442 H H 0.28000 10
7443 CA CH1 0.00000 11
7444 CB CH2 0.00000 11
7445 CG CH2 0.00000 11
7446 CD C 0.27000 12
7447 OE1 OM -0.63500 12
7448 OE2 OM -0.63500 12
7449 CT C 0.27000 13
7450 O1 OM -0.63500 13
7451 O2 OM -0.63500 13
7452 [ bonds ]
7453 N1 C2 gb_11
7454 N1 C8A gb_11
7455 C2 NA2 gb_8
7456 C2 N3 gb_16
7457 NA2 HA21 gb_2
7458 NA2 HA22 gb_2
7459 N3 HA3 gb_2
7460 N3 C4 gb_16
7461 C4 OA4 gb_4
7462 C4 C4A gb_15
7463 C4A N5 gb_11
7464 C4A C8A gb_15
7465 N5 C6 gb_11
7466 C6 C7 gb_14
7467 C6 C9 gb_26
7468 C7 N8 gb_16
7469 N8 HA8 gb_2
7470 N8 C8A gb_16
7471 C9 N10 gb_20
7472 N10 H10 gb_2
7473 N10 C14 gb_10
7474 C14 C13 gb_15
7475 C14 C15 gb_15
7476 C13 C12 gb_15
7477 C15 C16 gb_15
7478 C12 C11 gb_15
7479 C16 C11 gb_15
7480 C11 C gb_26
7481 C O gb_4
7482 C N gb_9
7483 N H gb_2
7484 N CA gb_20
7485 CA CB gb_26
7486 CA CT gb_26
7487 CB CG gb_26
7488 CG CD gb_26
7489 CD OE1 gb_5
7490 CD OE2 gb_5
7491 CT O1 gb_5
7492 CT O2 gb_5
7493 [ exclusions ]
7494 ; ai aj
7495 N1 HA3
7496 N1 C4
7497 N1 N5
7498 N1 C7
7499 N1 HA8
7500 C2 OA4
7501 C2 C4A
7502 C2 N8
7503 NA2 HA3
7504 NA2 C4
7505 NA2 C8A
7506 N3 N5
7507 N3 C8A
7508 HA3 OA4
7509 HA3 C4A
7510 C4 C6
7511 C4 N8
7512 OA4 N5
7513 OA4 C8A
7514 C4A C7
7515 C4A HA8
7516 C4A C9
7517 N5 N8
7518 C6 HA8
7519 C6 C8A
7520 N8 C9
7521 N10 C12
7522 N10 C16
7523 C14 C11
7524 C13 C16
7525 C13 C
7526 C15 C12
7527 C15 C
7528 [ angles ]
7529 ; ai aj ak gromos type
7530 C2 N1 C8A ga_26
7531 N1 C2 NA2 ga_26
7532 N1 C2 N3 ga_26
7533 NA2 C2 N3 ga_26
7534 C2 NA2 HA21 ga_22
7535 C2 NA2 HA22 ga_22
7536 HA21 NA2 HA22 ga_23
7537 C2 N3 HA3 ga_24
7538 C2 N3 C4 ga_26
7539 HA3 N3 C4 ga_24
7540 N3 C4 OA4 ga_26
7541 N3 C4 C4A ga_26
7542 OA4 C4 C4A ga_26
7543 C4 C4A N5 ga_26
7544 C4 C4A C8A ga_26
7545 N5 C4A C8A ga_26
7546 C4A N5 C6 ga_26
7547 N5 C6 C7 ga_26
7548 N5 C6 C9 ga_26
7549 C7 C6 C9 ga_26
7550 C6 C7 N8 ga_26
7551 C7 N8 HA8 ga_24
7552 C7 N8 C8A ga_26
7553 HA8 N8 C8A ga_24
7554 N1 C8A C4A ga_26
7555 N1 C8A N8 ga_26
7556 C4A C8A N8 ga_26
7557 C6 C9 N10 ga_14
7558 C9 N10 H10 ga_19
7559 C9 N10 C14 ga_32
7560 H10 N10 C14 ga_22
7561 N10 C14 C13 ga_26
7562 N10 C14 C15 ga_26
7563 C13 C14 C15 ga_26
7564 C14 C13 C12 ga_26
7565 C14 C15 C16 ga_26
7566 C13 C12 C11 ga_26
7567 C15 C16 C11 ga_26
7568 C12 C11 C16 ga_26
7569 C12 C11 C ga_26
7570 C16 C11 C ga_26
7571 C11 C O ga_29
7572 C11 C N ga_18
7573 O C N ga_32
7574 C N H ga_31
7575 C N CA ga_30
7576 H N CA ga_17
7577 N CA CB ga_12
7578 N CA CT ga_12
7579 CB CA CT ga_12
7580 CA CB CG ga_14
7581 CB CG CD ga_14
7582 CG CD OE1 ga_21
7583 CG CD OE2 ga_21
7584 OE1 CD OE2 ga_37
7585 CA CT O1 ga_21
7586 CA CT O2 ga_21
7587 O1 CT O2 ga_37
7588 [ impropers ]
7589 ; ai aj ak al gromos type
7590 C2 N1 N3 NA2 gi_1
7591 NA2 HA21 HA22 C2 gi_1
7592 N3 C2 C4 HA3 gi_1
7593 C4 N3 C4A OA4 gi_1
7594 N1 C2 N3 C4 gi_1
7595 C2 N3 C4 C4A gi_1
7596 N3 C4 C4A C8A gi_1
7597 C4 C4A C8A N1 gi_1
7598 C4A C8A N1 C2 gi_1
7599 C8A N1 C2 N3 gi_1
7600 C4A C4 N5 C8A gi_1
7601 C8A N1 N8 C4A gi_1
7602 C4A N5 C6 C7 gi_1
7603 N5 C6 C7 N8 gi_1
7604 C6 C7 N8 C8A gi_1
7605 C7 N8 C8A C4A gi_1
7606 N8 C8A C4A N5 gi_1
7607 C8A C4A N5 C6 gi_1
7608 N8 C7 C8A HA8 gi_1
7609 C6 N5 C7 C9 gi_1
7610 N10 C9 C14 H10 gi_1
7611 C14 C13 C15 N10 gi_1
7612 C14 C13 C12 C11 gi_1
7613 C14 C15 C16 C11 gi_1
7614 C13 C14 C15 C16 gi_1
7615 C15 C14 C13 C12 gi_1
7616 C13 C12 C11 C16 gi_1
7617 C15 C16 C11 C12 gi_1
7618 C11 C12 C16 C gi_1
7619 C C11 N O gi_1
7620 N C CA H gi_1
7621 CA N CT CB gi_2
7622 CD OE1 OE2 CG gi_1
7623 CT CA O2 O1 gi_1
7624 [ dihedrals ]
7625 ; ai aj ak al gromos type
7626 N1 C2 NA2 HA21 gd_4
7627 N5 C6 C9 N10 gd_20
7628 C6 C9 N10 C14 gd_19
7629 C9 N10 C14 C13 gd_4
7630 C12 C11 C N gd_1
7631 C11 C N CA gd_4
7632 C N CA CT gd_19
7633 N CA CT O1 gd_20
7634 N CA CB CG gd_17
7635 CA CB CG CD gd_17
7636 CB CG CD OE1 gd_20
7638 [ THF ]
7639 [ atoms ]
7640 N1 NR -0.36000 0
7641 C2 C 0.36000 0
7642 NA2 NT -0.83000 1
7643 HA21 H 0.41500 1
7644 HA22 H 0.41500 1
7645 N3 NR -0.28000 2
7646 HA3 H 0.28000 2
7647 C4 C 0.38000 3
7648 OA4 O -0.38000 3
7649 C4A C 0.00000 4
7650 N5 NR -0.28000 4
7651 HA5 H 0.28000 4
7652 C6 CH1 0.00000 4
7653 C7 CH2 0.00000 5
7654 N8 NR -0.28000 5
7655 HA8 H 0.28000 5
7656 C8A C 0.00000 5
7657 C9 CH2 0.00000 6
7658 N10 NE -0.28000 6
7659 H10 H 0.28000 6
7660 C14 C 0.00000 7
7661 C13 CR1 0.00000 7
7662 C15 CR1 0.00000 7
7663 C12 CR1 0.00000 8
7664 C16 CR1 0.00000 8
7665 C11 C 0.00000 8
7666 C C 0.38000 9
7667 O O -0.38000 9
7668 N N -0.28000 10
7669 H H 0.28000 10
7670 CA CH1 0.00000 11
7671 CB CH2 0.00000 11
7672 CG CH2 0.00000 11
7673 CD C 0.27000 12
7674 OE1 OM -0.63500 12
7675 OE2 OM -0.63500 12
7676 CT C 0.27000 13
7677 O1 OM -0.63500 13
7678 O2 OM -0.63500 13
7679 [ bonds ]
7680 N1 C2 gb_11
7681 N1 C8A gb_11
7682 C2 NA2 gb_8
7683 C2 N3 gb_16
7684 NA2 HA21 gb_2
7685 NA2 HA22 gb_2
7686 N3 HA3 gb_2
7687 N3 C4 gb_16
7688 C4 OA4 gb_4
7689 C4 C4A gb_15
7690 C4A N5 gb_16
7691 C4A C8A gb_15
7692 N5 HA5 gb_2
7693 N5 C6 gb_22
7694 C6 C7 gb_25
7695 C6 C9 gb_26
7696 C7 N8 gb_22
7697 N8 HA8 gb_2
7698 N8 C8A gb_16
7699 C9 N10 gb_20
7700 N10 H10 gb_2
7701 N10 C14 gb_10
7702 C14 C13 gb_15
7703 C14 C15 gb_15
7704 C13 C12 gb_15
7705 C15 C16 gb_15
7706 C12 C11 gb_15
7707 C16 C11 gb_15
7708 C11 C gb_26
7709 C O gb_4
7710 C N gb_9
7711 N H gb_2
7712 N CA gb_20
7713 CA CB gb_26
7714 CA CT gb_26
7715 CB CG gb_26
7716 CG CD gb_26
7717 CD OE1 gb_5
7718 CD OE2 gb_5
7719 CT O1 gb_5
7720 CT O2 gb_5
7721 [ exclusions ]
7722 ; ai aj
7723 N1 HA3
7724 N1 C4
7725 N1 N5
7726 C2 OA4
7727 C2 C4A
7728 C2 N8
7729 NA2 HA3
7730 NA2 C4
7731 NA2 C8A
7732 N3 N5
7733 N3 C8A
7734 HA3 OA4
7735 HA3 C4A
7736 C4 N8
7737 OA4 N5
7738 OA4 C8A
7739 N10 C12
7740 N10 C16
7741 C14 C11
7742 C13 C16
7743 C13 C
7744 C15 C12
7745 C15 C
7746 [ angles ]
7747 ; ai aj ak gromos type
7748 C2 N1 C8A ga_26
7749 N1 C2 NA2 ga_26
7750 N1 C2 N3 ga_26
7751 NA2 C2 N3 ga_26
7752 C2 NA2 HA21 ga_22
7753 C2 NA2 HA22 ga_22
7754 HA21 NA2 HA22 ga_23
7755 C2 N3 HA3 ga_24
7756 C2 N3 C4 ga_26
7757 HA3 N3 C4 ga_24
7758 N3 C4 OA4 ga_26
7759 N3 C4 C4A ga_26
7760 OA4 C4 C4A ga_26
7761 C4 C4A N5 ga_26
7762 C4 C4A C8A ga_26
7763 N5 C4A C8A ga_26
7764 C4A N5 HA5 ga_24
7765 C4A N5 C6 ga_26
7766 HA5 N5 C6 ga_24
7767 N5 C6 C7 ga_7
7768 N5 C6 C9 ga_7
7769 C7 C6 C9 ga_7
7770 C6 C7 N8 ga_7
7771 C7 N8 HA8 ga_24
7772 C7 N8 C8A ga_26
7773 HA8 N8 C8A ga_24
7774 N1 C8A C4A ga_26
7775 N1 C8A N8 ga_26
7776 C4A C8A N8 ga_26
7777 C6 C9 N10 ga_14
7778 C9 N10 H10 ga_19
7779 C9 N10 C14 ga_32
7780 H10 N10 C14 ga_22
7781 N10 C14 C13 ga_26
7782 N10 C14 C15 ga_26
7783 C13 C14 C15 ga_26
7784 C14 C13 C12 ga_26
7785 C14 C15 C16 ga_26
7786 C13 C12 C11 ga_26
7787 C15 C16 C11 ga_26
7788 C12 C11 C16 ga_26
7789 C12 C11 C ga_26
7790 C16 C11 C ga_26
7791 C11 C O ga_29
7792 C11 C N ga_18
7793 O C N ga_32
7794 C N H ga_31
7795 C N CA ga_30
7796 H N CA ga_17
7797 N CA CB ga_12
7798 N CA CT ga_12
7799 CB CA CT ga_12
7800 CA CB CG ga_14
7801 CB CG CD ga_14
7802 CG CD OE1 ga_21
7803 CG CD OE2 ga_21
7804 OE1 CD OE2 ga_37
7805 CA CT O1 ga_21
7806 CA CT O2 ga_21
7807 O1 CT O2 ga_37
7808 [ impropers ]
7809 ; ai aj ak al gromos type
7810 C2 N1 N3 NA2 gi_1
7811 NA2 HA21 HA22 C2 gi_1
7812 N3 C2 C4 HA3 gi_1
7813 C4 N3 C4A OA4 gi_1
7814 N1 C2 N3 C4 gi_1
7815 C2 N3 C4 C4A gi_1
7816 N3 C4 C4A C8A gi_1
7817 C4 C4A C8A N1 gi_1
7818 C4A C8A N1 C2 gi_1
7819 C8A N1 C2 N3 gi_1
7820 C4A C4 N5 C8A gi_1
7821 C8A N1 N8 C4A gi_1
7822 C4A N5 C6 C7 gi_1
7823 N5 C6 C7 N8 gi_1
7824 C6 C7 N8 C8A gi_1
7825 C7 N8 C8A C4A gi_1
7826 N8 C8A C4A N5 gi_1
7827 C8A C4A N5 C6 gi_1
7828 N5 C4A C6 HA5 gi_1
7829 N8 C7 C8A HA8 gi_1
7830 C6 N5 C7 C9 gi_1
7831 N10 C9 C14 H10 gi_1
7832 C14 C13 C15 N10 gi_1
7833 C14 C13 C12 C11 gi_1
7834 C14 C15 C16 C11 gi_1
7835 C13 C14 C15 C16 gi_1
7836 C15 C14 C13 C12 gi_1
7837 C13 C12 C11 C16 gi_1
7838 C15 C16 C11 C12 gi_1
7839 C11 C12 C16 C gi_1
7840 C C11 N O gi_1
7841 N C CA H gi_1
7842 CA N CT CB gi_2
7843 CD OE1 OE2 CG gi_1
7844 CT CA O2 O1 gi_1
7845 [ dihedrals ]
7846 ; ai aj ak al gromos type
7847 N1 C2 NA2 HA21 gd_4
7848 N5 C6 C9 N10 gd_20
7849 C6 C9 N10 C14 gd_19
7850 C9 N10 C14 C13 gd_4
7851 C12 C11 C N gd_1
7852 C11 C N CA gd_4
7853 C N CA CT gd_19
7854 N CA CT O1 gd_20
7855 N CA CB CG gd_17
7856 CA CB CG CD gd_17
7857 CB CG CD OE1 gd_20
7859 [ TMP ]
7860 [ atoms ]
7861 N1 NR -0.36000 0
7862 C2 C 0.36000 0
7863 NA2 NT -0.83000 1
7864 HA21 H 0.41500 1
7865 HA22 H 0.41500 1
7866 N3 NR -0.36000 2
7867 C4 C 0.36000 2
7868 NA4 NT -0.83000 3
7869 HA41 H 0.41500 3
7870 HA42 H 0.41500 3
7871 C5 C 0.00000 4
7872 C6 CR1 0.00000 4
7873 C7 CH2 0.00000 4
7874 C11 C 0.00000 5
7875 C12 CR1 0.00000 5
7876 C16 CR1 0.00000 5
7877 C13 C 0.18000 6
7878 O13 OA -0.36000 6
7879 CM13 CH3 0.18000 6
7880 C15 C 0.18000 7
7881 O15 OA -0.36000 7
7882 CM15 CH3 0.18000 7
7883 C14 C 0.18000 8
7884 O14 OA -0.36000 8
7885 CM14 CH3 0.18000 8
7886 [ bonds ]
7887 N1 C2 gb_11
7888 N1 C6 gb_6
7889 C2 NA2 gb_8
7890 C2 N3 gb_11
7891 NA2 HA21 gb_2
7892 NA2 HA22 gb_2
7893 N3 C4 gb_11
7894 C4 NA4 gb_8
7895 C4 C5 gb_15
7896 NA4 HA41 gb_2
7897 NA4 HA42 gb_2
7898 C5 C6 gb_15
7899 C5 C7 gb_26
7900 C7 C11 gb_26
7901 C11 C12 gb_15
7902 C11 C16 gb_15
7903 C12 C13 gb_15
7904 C16 C15 gb_15
7905 C13 O13 gb_12
7906 C13 C14 gb_15
7907 O13 CM13 gb_17
7908 C15 O15 gb_12
7909 C15 C14 gb_15
7910 O15 CM15 gb_17
7911 C14 O14 gb_12
7912 O14 CM14 gb_17
7913 [ exclusions ]
7914 ; ai aj
7915 N1 C4
7916 N1 C7
7917 C2 NA4
7918 C2 C5
7919 NA2 C4
7920 NA2 C6
7921 N3 C6
7922 N3 C7
7923 C7 C13
7924 C7 C15
7925 C11 O13
7926 C11 O15
7927 C11 C14
7928 C12 C15
7929 C12 O14
7930 C16 C13
7931 C16 O14
7932 C13 O15
7933 O13 C15
7934 O13 O14
7935 O15 O14
7936 [ angles ]
7937 ; ai aj ak gromos type
7938 C2 N1 C6 ga_26
7939 N1 C2 NA2 ga_26
7940 N1 C2 N3 ga_26
7941 NA2 C2 N3 ga_26
7942 C2 NA2 HA21 ga_22
7943 C2 NA2 HA22 ga_22
7944 HA21 NA2 HA22 ga_23
7945 C2 N3 C4 ga_26
7946 N3 C4 NA4 ga_26
7947 N3 C4 C5 ga_26
7948 NA4 C4 C5 ga_26
7949 C4 NA4 HA41 ga_22
7950 C4 NA4 HA42 ga_22
7951 HA41 NA4 HA42 ga_23
7952 C4 C5 C6 ga_26
7953 C4 C5 C7 ga_26
7954 C6 C5 C7 ga_26
7955 N1 C6 C5 ga_26
7956 C5 C7 C11 ga_14
7957 C7 C11 C12 ga_26
7958 C7 C11 C16 ga_26
7959 C12 C11 C16 ga_26
7960 C11 C12 C13 ga_26
7961 C11 C16 C15 ga_26
7962 C12 C13 O13 ga_26
7963 C12 C13 C14 ga_26
7964 O13 C13 C14 ga_26
7965 C13 O13 CM13 ga_19
7966 C16 C15 O15 ga_26
7967 C16 C15 C14 ga_26
7968 O15 C15 C14 ga_26
7969 C15 O15 CM15 ga_19
7970 C13 C14 C15 ga_26
7971 C13 C14 O14 ga_26
7972 C15 C14 O14 ga_26
7973 C14 O14 CM14 ga_19
7974 [ impropers ]
7975 ; ai aj ak al gromos type
7976 C2 N1 N3 NA2 gi_1
7977 NA2 HA21 HA22 C2 gi_1
7978 C4 N3 C5 NA4 gi_1
7979 NA4 HA41 HA42 C4 gi_1
7980 N1 C2 N3 C4 gi_1
7981 C2 N3 C4 C5 gi_1
7982 N3 C4 C5 C6 gi_1
7983 C4 C5 C6 N1 gi_1
7984 C5 C6 N1 C2 gi_1
7985 C6 N1 C2 N3 gi_1
7986 C5 C4 C6 C7 gi_1
7987 C11 C12 C16 C7 gi_1
7988 C11 C12 C13 C14 gi_1
7989 C11 C16 C15 C14 gi_1
7990 C12 C13 C14 C15 gi_1
7991 C12 C11 C16 C15 gi_1
7992 C16 C15 C14 C13 gi_1
7993 C16 C11 C12 C13 gi_1
7994 C13 C12 O13 C14 gi_1
7995 C15 C16 O15 C14 gi_1
7996 C14 C13 O14 C15 gi_1
7997 [ dihedrals ]
7998 ; ai aj ak al gromos type
7999 N1 C2 NA2 HA21 gd_4
8000 C5 C4 NA4 HA41 gd_4
8001 C4 C5 C7 C11 gd_20
8002 C5 C7 C11 C12 gd_20
8003 C12 C13 O13 CM13 gd_2
8004 C12 C13 O13 CM13 gd_3
8005 C16 C15 O15 CM15 gd_2
8006 C16 C15 O15 CM15 gd_3
8007 C13 C14 O14 CM14 gd_2
8009 [ TMPH ]
8010 [ atoms ]
8011 N1 NR -0.28000 0
8012 HA1 H 0.28000 0
8013 C2 C 0.00000 0
8014 NA2 NT -0.83000 1
8015 HA21 H 0.41500 1
8016 HA22 H 0.41500 1
8017 N3 NR -0.36000 2
8018 C4 C 0.36000 2
8019 NA4 NT -0.83000 3
8020 HA41 H 0.41500 3
8021 HA42 H 0.41500 3
8022 C5 C 0.00000 4
8023 C6 CR1 0.00000 4
8024 C7 CH2 0.00000 4
8025 C11 C 0.00000 5
8026 C12 CR1 0.00000 5
8027 C16 CR1 0.00000 5
8028 C13 C 0.18000 6
8029 O13 OA -0.36000 6
8030 CM13 CH3 0.18000 6
8031 C15 C 0.18000 7
8032 O15 OA -0.36000 7
8033 CM15 CH3 0.18000 7
8034 C14 C 0.18000 8
8035 O14 OA -0.36000 8
8036 CM14 CH3 0.18000 8
8037 [ bonds ]
8038 N1 HA1 gb_2
8039 N1 C2 gb_16
8040 N1 C6 gb_16
8041 C2 NA2 gb_8
8042 C2 N3 gb_11
8043 NA2 HA21 gb_2
8044 NA2 HA22 gb_2
8045 N3 C4 gb_11
8046 C4 NA4 gb_8
8047 C4 C5 gb_15
8048 NA4 HA41 gb_2
8049 NA4 HA42 gb_2
8050 C5 C6 gb_15
8051 C5 C7 gb_26
8052 C7 C11 gb_26
8053 C11 C12 gb_15
8054 C11 C16 gb_15
8055 C12 C13 gb_15
8056 C16 C15 gb_15
8057 C13 O13 gb_12
8058 C13 C14 gb_15
8059 O13 CM13 gb_17
8060 C15 O15 gb_12
8061 C15 C14 gb_15
8062 O15 CM15 gb_17
8063 C14 O14 gb_12
8064 O14 CM14 gb_17
8065 [ exclusions ]
8066 ; ai aj
8067 N1 C4
8068 N1 C7
8069 HA1 NA2
8070 HA1 N3
8071 HA1 C5
8072 C2 NA4
8073 C2 C5
8074 NA2 C4
8075 NA2 C6
8076 N3 C6
8077 N3 C7
8078 NA4 C6
8079 NA4 C7
8080 C7 C13
8081 C7 C15
8082 C11 O13
8083 C11 O15
8084 C11 C14
8085 C12 C15
8086 C12 O14
8087 C16 C13
8088 C16 O14
8089 C13 O15
8090 O13 C15
8091 O13 O14
8092 O15 O14
8093 [ angles ]
8094 ; ai aj ak gromos type
8095 HA1 N1 C2 ga_24
8096 HA1 N1 C6 ga_24
8097 C2 N1 C6 ga_26
8098 N1 C2 NA2 ga_26
8099 N1 C2 N3 ga_26
8100 NA2 C2 N3 ga_26
8101 C2 NA2 HA21 ga_22
8102 C2 NA2 HA22 ga_22
8103 HA21 NA2 HA22 ga_23
8104 C2 N3 C4 ga_26
8105 N3 C4 NA4 ga_26
8106 N3 C4 C5 ga_26
8107 NA4 C4 C5 ga_26
8108 C4 NA4 HA41 ga_22
8109 C4 NA4 HA42 ga_22
8110 HA41 NA4 HA42 ga_23
8111 C4 C5 C6 ga_26
8112 C4 C5 C7 ga_26
8113 C6 C5 C7 ga_26
8114 N1 C6 C5 ga_26
8115 C5 C7 C11 ga_14
8116 C7 C11 C12 ga_26
8117 C7 C11 C16 ga_26
8118 C12 C11 C16 ga_26
8119 C11 C12 C13 ga_26
8120 C11 C16 C15 ga_26
8121 C12 C13 O13 ga_26
8122 C12 C13 C14 ga_26
8123 O13 C13 C14 ga_26
8124 C13 O13 CM13 ga_19
8125 C16 C15 O15 ga_26
8126 C16 C15 C14 ga_26
8127 O15 C15 C14 ga_26
8128 C15 O15 CM15 ga_19
8129 C13 C14 C15 ga_26
8130 C13 C14 O14 ga_26
8131 C15 C14 O14 ga_26
8132 C14 O14 CM14 ga_19
8133 [ impropers ]
8134 ; ai aj ak al gromos type
8135 N1 C2 C6 HA1 gi_1
8136 C2 N1 N3 NA2 gi_1
8137 NA2 HA21 HA22 C2 gi_1
8138 C4 N3 C5 NA4 gi_1
8139 NA4 HA41 HA42 C4 gi_1
8140 N1 C2 N3 C4 gi_1
8141 C2 N3 C4 C5 gi_1
8142 N3 C4 C5 C6 gi_1
8143 C4 C5 C6 N1 gi_1
8144 C5 C6 N1 C2 gi_1
8145 C6 N1 C2 N3 gi_1
8146 C5 C4 C6 C7 gi_1
8147 C11 C12 C16 C7 gi_1
8148 C11 C12 C13 C14 gi_1
8149 C11 C16 C15 C14 gi_1
8150 C12 C13 C14 C15 gi_1
8151 C12 C11 C16 C15 gi_1
8152 C16 C15 C14 C13 gi_1
8153 C16 C11 C12 C13 gi_1
8154 C13 C12 O13 C14 gi_1
8155 C15 C16 O15 C14 gi_1
8156 C14 C13 O14 C15 gi_1
8157 [ dihedrals ]
8158 ; ai aj ak al gromos type
8159 N1 C2 NA2 HA21 gd_4
8160 C5 C4 NA4 HA41 gd_4
8161 C4 C5 C7 C11 gd_20
8162 C5 C7 C11 C12 gd_20
8163 C12 C13 O13 CM13 gd_2
8164 C12 C13 O13 CM13 gd_3
8165 C16 C15 O15 CM15 gd_2
8166 C16 C15 O15 CM15 gd_3
8167 C13 C14 O14 CM14 gd_2
8169 [ TMPHP ]
8170 [ atoms ]
8171 N1 NR -0.36000 0
8172 HA1 H 0.36000 0
8173 C2 C 0.60000 0
8174 NA2 NT -0.73000 1
8175 HA21 H 0.41500 1
8176 HA22 H 0.41500 1
8177 N3 NR -0.36000 2
8178 C4 C 0.36000 2
8179 NA4 NT -0.83000 3
8180 HA41 H 0.41500 3
8181 HA42 H 0.41500 3
8182 C5 C 0.10000 4
8183 C6 CR1 0.20000 4
8184 C7 CH2 0.00000 4
8185 C11 C 0.00000 5
8186 C12 CR1 0.00000 5
8187 C16 CR1 0.00000 5
8188 C13 C 0.18000 6
8189 O13 OA -0.36000 6
8190 CM13 CH3 0.18000 6
8191 C15 C 0.18000 7
8192 O15 OA -0.36000 7
8193 CM15 CH3 0.18000 7
8194 C14 C 0.18000 8
8195 O14 OA -0.36000 8
8196 CM14 CH3 0.18000 8
8197 [ bonds ]
8198 N1 HA1 gb_2
8199 N1 C2 gb_16
8200 N1 C6 gb_16
8201 C2 NA2 gb_8
8202 C2 N3 gb_11
8203 NA2 HA21 gb_2
8204 NA2 HA22 gb_2
8205 N3 C4 gb_11
8206 C4 NA4 gb_8
8207 C4 C5 gb_15
8208 NA4 HA41 gb_2
8209 NA4 HA42 gb_2
8210 C5 C6 gb_15
8211 C5 C7 gb_26
8212 C7 C11 gb_26
8213 C11 C12 gb_15
8214 C11 C16 gb_15
8215 C12 C13 gb_15
8216 C16 C15 gb_15
8217 C13 O13 gb_12
8218 C13 C14 gb_15
8219 O13 CM13 gb_1
8220 C15 O15 gb_12
8221 C15 C14 gb_15
8222 O15 CM15 gb_1
8223 C14 O14 gb_12
8224 O14 CM14 gb_1
8225 [ exclusions ]
8226 ; ai aj
8227 N1 C4
8228 N1 C7
8229 HA1 NA2
8230 HA1 N3
8231 HA1 C5
8232 C2 NA4
8233 C2 C5
8234 NA2 C4
8235 NA2 C6
8236 N3 C6
8237 N3 C7
8238 NA4 C6
8239 NA4 C7
8240 C7 C13
8241 C7 C15
8242 C11 O13
8243 C11 O15
8244 C11 C14
8245 C12 C15
8246 C12 O14
8247 C16 C13
8248 C16 O14
8249 C13 O15
8250 O13 C15
8251 O13 O14
8252 O15 O14
8253 [ angles ]
8254 ; ai aj ak gromos type
8255 HA1 N1 C2 ga_24
8256 HA1 N1 C6 ga_24
8257 C2 N1 C6 ga_26
8258 N1 C2 NA2 ga_26
8259 N1 C2 N3 ga_26
8260 NA2 C2 N3 ga_26
8261 C2 NA2 HA21 ga_22
8262 C2 NA2 HA22 ga_22
8263 HA21 NA2 HA22 ga_23
8264 C2 N3 C4 ga_26
8265 N3 C4 NA4 ga_26
8266 N3 C4 C5 ga_26
8267 NA4 C4 C5 ga_26
8268 C4 NA4 HA41 ga_22
8269 C4 NA4 HA42 ga_22
8270 HA41 NA4 HA42 ga_23
8271 C4 C5 C6 ga_26
8272 C4 C5 C7 ga_26
8273 C6 C5 C7 ga_26
8274 N1 C6 C5 ga_26
8275 C5 C7 C11 ga_14
8276 C7 C11 C12 ga_26
8277 C7 C11 C16 ga_26
8278 C12 C11 C16 ga_26
8279 C11 C12 C13 ga_26
8280 C11 C16 C15 ga_26
8281 C12 C13 O13 ga_26
8282 C12 C13 C14 ga_26
8283 O13 C13 C14 ga_26
8284 C13 O13 CM13 ga_19
8285 C16 C15 O15 ga_26
8286 C16 C15 C14 ga_26
8287 O15 C15 C14 ga_26
8288 C15 O15 CM15 ga_19
8289 C13 C14 C15 ga_26
8290 C13 C14 O14 ga_26
8291 C15 C14 O14 ga_26
8292 C14 O14 CM14 ga_19
8293 [ impropers ]
8294 ; ai aj ak al gromos type
8295 N1 C2 C6 HA1 gi_1
8296 C2 N1 N3 NA2 gi_1
8297 NA2 HA21 HA22 C2 gi_1
8298 C4 N3 C5 NA4 gi_1
8299 NA4 HA41 HA42 C4 gi_1
8300 N1 C2 N3 C4 gi_1
8301 C2 N3 C4 C5 gi_1
8302 N3 C4 C5 C6 gi_1
8303 C4 C5 C6 N1 gi_1
8304 C5 C6 N1 C2 gi_1
8305 C6 N1 C2 N3 gi_1
8306 C5 C4 C6 C7 gi_1
8307 C11 C12 C16 C7 gi_1
8308 C11 C12 C13 C14 gi_1
8309 C11 C16 C15 C14 gi_1
8310 C12 C13 C14 C15 gi_1
8311 C12 C11 C16 C15 gi_1
8312 C16 C15 C14 C13 gi_1
8313 C16 C11 C12 C13 gi_1
8314 C13 C12 O13 C14 gi_1
8315 C15 C16 O15 C14 gi_1
8316 C14 C13 O14 C15 gi_1
8317 [ dihedrals ]
8318 ; ai aj ak al gromos type
8319 N1 C2 NA2 HA21 gd_4
8320 C5 C4 NA4 HA41 gd_4
8321 C4 C5 C7 C11 gd_20
8322 C5 C7 C11 C12 gd_20
8323 C12 C13 O13 CM13 gd_2
8324 C12 C13 O13 CM13 gd_3
8325 C16 C15 O15 CM15 gd_2
8326 C16 C15 O15 CM15 gd_3
8327 C13 C14 O14 CM14 gd_2
8329 [ PDG ]
8330 [ atoms ]
8331 P P 0.63000 0
8332 O1P OM -0.63500 0
8333 O2P OM -0.63500 0
8334 O3P OA -0.54800 0
8335 H3P H 0.39800 0
8336 O4P OA -0.36000 0
8337 C1 CH2 0.15000 0
8338 C2 CH1 0.15000 1
8339 O2 OA -0.54800 1
8340 H2 H 0.39800 1
8341 C3 C 0.27000 2
8342 OT1 OM -0.63500 2
8343 OT2 OM -0.63500 2
8344 [ bonds ]
8345 P O1P gb_23
8346 P O2P gb_23
8347 P O3P gb_27
8348 P O4P gb_27
8349 O3P H3P gb_1
8350 O4P C1 gb_17
8351 C1 C2 gb_26
8352 C2 O2 gb_17
8353 C2 C3 gb_26
8354 O2 H2 gb_1
8355 C3 OT1 gb_5
8356 C3 OT2 gb_5
8357 [ exclusions ]
8358 ; ai aj
8359 O1P H3P
8360 O2P H3P
8361 H3P O4P
8362 [ angles ]
8363 ; ai aj ak gromos type
8364 O1P P O2P ga_28
8365 O1P P O3P ga_13
8366 O1P P O4P ga_13
8367 O2P P O3P ga_13
8368 O2P P O4P ga_13
8369 O3P P O4P ga_4
8370 P O3P H3P ga_11
8371 P O4P C1 ga_25
8372 O4P C1 C2 ga_14
8373 C1 C2 O2 ga_14
8374 C1 C2 C3 ga_12
8375 O2 C2 C3 ga_12
8376 C2 O2 H2 ga_11
8377 C2 C3 OT1 ga_21
8378 C2 C3 OT2 ga_21
8379 OT1 C3 OT2 ga_37
8380 [ impropers ]
8381 ; ai aj ak al gromos type
8382 C2 C1 C3 O2 gi_2
8383 C3 C2 OT2 OT1 gi_1
8384 [ dihedrals ]
8385 ; ai aj ak al gromos type
8386 O4P P O3P H3P gd_11
8387 O4P P O3P H3P gd_9
8388 O3P P O4P C1 gd_11
8389 O3P P O4P C1 gd_9
8390 P O4P C1 C2 gd_14
8391 O4P C1 C2 C3 gd_17
8392 C1 C2 O2 H2 gd_12
8393 C1 C2 C3 OT1 gd_20
8395 [ ATP ]
8396 [ atoms ]
8397 AN9 NR -0.20000 0
8398 AC4 C 0.20000 0
8399 AN3 NR -0.36000 1
8400 AC2 CR1 0.36000 1
8401 AN1 NR -0.36000 2
8402 AC6 C 0.36000 2
8403 AN6 NT -0.83000 3
8404 AH61 H 0.41500 3
8405 AH62 H 0.41500 3
8406 AC5 C 0.00000 4
8407 AN7 NR -0.36000 4
8408 AC8 CR1 0.36000 4
8409 AC1* CH1 0.20000 5
8410 AO4* OA -0.36000 5
8411 AC4* CH1 0.16000 5
8412 AC2* CH1 0.15000 6
8413 AO2* OA -0.54800 6
8414 AH2* H 0.39800 6
8415 AC3* CH1 0.15000 7
8416 AO3* OA -0.54800 7
8417 AH3* H 0.39800 7
8418 AC5* CH2 0.00000 8
8419 AO5* OA -0.36000 9
8420 APA P 0.70500 9
8421 AO1PA OM -0.63500 9
8422 AO2PA OM -0.63500 9
8423 AO3PA OA -0.36000 10
8424 APB P 0.70500 10
8425 AO1PB OM -0.63500 10
8426 AO2PB OM -0.63500 10
8427 AO3PB OA -0.36000 11
8428 APG P 0.63000 11
8429 AO1PG OM -0.63500 11
8430 AO2PG OM -0.63500 11
8431 AO3PG OA -0.54800 11
8432 AH3PG H 0.39800 11
8433 [ bonds ]
8434 AN9 AC4 gb_9
8435 AN9 AC8 gb_9
8436 AN9 AC1* gb_21
8437 AC4 AN3 gb_11
8438 AC4 AC5 gb_15
8439 AN3 AC2 gb_6
8440 AC2 AN1 gb_6
8441 AN1 AC6 gb_11
8442 AC6 AN6 gb_8
8443 AC6 AC5 gb_15
8444 AN6 AH61 gb_2
8445 AN6 AH62 gb_2
8446 AC5 AN7 gb_9
8447 AN7 AC8 gb_9
8448 AC1* AO4* gb_19
8449 AC1* AC2* gb_25
8450 AO4* AC4* gb_19
8451 AC4* AC3* gb_25
8452 AC4* AC5* gb_25
8453 AC2* AO2* gb_19
8454 AC2* AC3* gb_25
8455 AO2* AH2* gb_1
8456 AC3* AO3* gb_19
8457 AO3* AH3* gb_1
8458 AC5* AO5* gb_19
8459 AO5* APA gb_27
8460 APA AO1PA gb_23
8461 APA AO2PA gb_23
8462 APA AO3PA gb_27
8463 AO3PA APB gb_27
8464 APB AO1PB gb_23
8465 APB AO2PB gb_23
8466 APB AO3PB gb_27
8467 AO3PB APG gb_27
8468 APG AO1PG gb_23
8469 APG AO2PG gb_23
8470 APG AO3PG gb_27
8471 AO3PG AH3PG gb_1
8472 [ exclusions ]
8473 ; ai aj
8474 AN9 AC2
8475 AN9 AC6
8476 AC4 AN1
8477 AC4 AN6
8478 AN3 AC6
8479 AN3 AN7
8480 AN3 AC8
8481 AN3 AC1*
8482 AC2 AN6
8483 AC2 AC5
8484 AN1 AN7
8485 AC6 AC8
8486 AC5 AC1*
8487 AN7 AC1*
8488 AO3PB AH3PG
8489 AO1PG AH3PG
8490 AO2PG AH3PG
8491 [ angles ]
8492 ; ai aj ak gromos type
8493 AC4 AN9 AC8 ga_6
8494 AC4 AN9 AC1* ga_36
8495 AC8 AN9 AC1* ga_36
8496 AN9 AC4 AN3 ga_38
8497 AN9 AC4 AC5 ga_6
8498 AN3 AC4 AC5 ga_26
8499 AC4 AN3 AC2 ga_26
8500 AN3 AC2 AN1 ga_26
8501 AC2 AN1 AC6 ga_26
8502 AN1 AC6 AN6 ga_26
8503 AN1 AC6 AC5 ga_26
8504 AN6 AC6 AC5 ga_26
8505 AC6 AN6 AH61 ga_22
8506 AC6 AN6 AH62 ga_22
8507 AH61 AN6 AH62 ga_23
8508 AC4 AC5 AC6 ga_26
8509 AC4 AC5 AN7 ga_6
8510 AC6 AC5 AN7 ga_38
8511 AC5 AN7 AC8 ga_6
8512 AN9 AC8 AN7 ga_6
8513 AN9 AC1* AO4* ga_8
8514 AN9 AC1* AC2* ga_8
8515 AO4* AC1* AC2* ga_8
8516 AC1* AO4* AC4* ga_9
8517 AO4* AC4* AC3* ga_8
8518 AO4* AC4* AC5* ga_8
8519 AC3* AC4* AC5* ga_7
8520 AC1* AC2* AO2* ga_8
8521 AC1* AC2* AC3* ga_7
8522 AO2* AC2* AC3* ga_8
8523 AC2* AO2* AH2* ga_11
8524 AC4* AC3* AC2* ga_7
8525 AC4* AC3* AO3* ga_8
8526 AC2* AC3* AO3* ga_8
8527 AC3* AO3* AH3* ga_11
8528 AC4* AC5* AO5* ga_8
8529 AC5* AO5* APA ga_25
8530 AO5* APA AO1PA ga_13
8531 AO5* APA AO2PA ga_13
8532 AO5* APA AO3PA ga_4
8533 AO1PA APA AO2PA ga_28
8534 AO1PA APA AO3PA ga_13
8535 AO2PA APA AO3PA ga_13
8536 APA AO3PA APB ga_25
8537 AO3PA APB AO1PB ga_13
8538 AO3PA APB AO2PB ga_13
8539 AO3PA APB AO3PB ga_4
8540 AO1PB APB AO2PB ga_28
8541 AO1PB APB AO3PB ga_13
8542 AO2PB APB AO3PB ga_13
8543 APB AO3PB APG ga_25
8544 AO3PB APG AO1PG ga_13
8545 AO3PB APG AO2PG ga_13
8546 AO3PB APG AO3PG ga_4
8547 AO1PG APG AO2PG ga_28
8548 AO1PG APG AO3PG ga_13
8549 AO2PG APG AO3PG ga_13
8550 APG AO3PG AH3PG ga_11
8551 [ impropers ]
8552 ; ai aj ak al gromos type
8553 AN9 AC8 AC4 AC1* gi_1
8554 AC4 AN9 AC8 AN7 gi_1
8555 AC8 AN9 AC4 AC5 gi_1
8556 AN9 AC8 AN7 AC5 gi_1
8557 AN9 AC4 AC5 AN7 gi_1
8558 AC8 AN7 AC5 AC4 gi_1
8559 AC4 AN9 AN3 AC5 gi_1
8560 AC5 AC6 AN7 AC4 gi_1
8561 AN3 AC4 AC5 AC6 gi_1
8562 AC4 AC5 AC6 AN1 gi_1
8563 AC5 AC4 AN3 AC2 gi_1
8564 AC5 AC6 AN1 AC2 gi_1
8565 AC4 AN3 AC2 AN1 gi_1
8566 AN3 AC2 AN1 AC6 gi_1
8567 AC6 AC5 AN1 AN6 gi_1
8568 AN6 AH61 AH62 AC6 gi_1
8569 AC1* AN9 AO4* AC2* gi_2
8570 AC4* AO4* AC5* AC3* gi_2
8571 AC2* AO2* AC3* AC1* gi_2
8572 AC3* AC2* AO3* AC4* gi_2
8573 [ dihedrals ]
8574 ; ai aj ak al gromos type
8575 AC5 AC6 AN6 AH61 gd_4
8576 AO4* AC1* AN9 AC4 gd_6
8577 AC1* AC2* AO2* AH2* gd_12
8578 AC4* AC3* AO3* AH3* gd_12
8579 AC4* AO4* AC1* AC2* gd_14
8580 AC3* AC4* AO4* AC1* gd_14
8581 AC3* AC2* AC1* AO4* gd_17
8582 AC3* AC2* AC1* AO4* gd_7
8583 AO2* AC2* AC1* AN9 gd_7
8584 AO2* AC2* AC1* AO4* gd_8
8585 AC4* AC3* AC2* AC1* gd_17
8586 AO3* AC3* AC2* AC1* gd_7
8587 AC4* AC3* AC2* AO2* gd_7
8588 AO3* AC3* AC2* AO2* gd_8
8589 AC5* AC4* AC3* AC2* gd_17
8590 AC5* AC4* AC3* AO3* gd_7
8591 AO4* AC4* AC3* AC2* gd_7
8592 AO4* AC4* AC3* AO3* gd_8
8593 AO5* AC5* AC4* AC3* gd_17
8594 AO5* AC5* AC4* AC3* gd_7
8595 AO5* AC5* AC4* AO4* gd_8
8596 AC4* AC5* AO5* APA gd_14
8597 AC5* AO5* APA AO3PA gd_11
8598 AC5* AO5* APA AO3PA gd_9
8599 AO5* APA AO3PA APB gd_11
8600 AO5* APA AO3PA APB gd_9
8601 APA AO3PA APB AO3PB gd_11
8602 APA AO3PA APB AO3PB gd_9
8603 AO3PA APB AO3PB APG gd_11
8604 AO3PA APB AO3PB APG gd_9
8605 APB AO3PB APG AO3PG gd_11
8606 APB AO3PB APG AO3PG gd_9
8607 AO3PB APG AO3PG AH3PG gd_11
8608 AO3PB APG AO3PG AH3PG gd_9
8610 [ PMB ]
8611 [ atoms ]
8612 PC8 CH3 0.00000 0
8613 PC5 C 0.00000 0
8614 PC4 CR1 0.00000 0
8615 PC6 CR1 0.00000 0
8616 PC3 CR1 0.00000 1
8617 PC7 CR1 0.00000 1
8618 PC2 C 0.00000 1
8619 PC1 C 0.00000 2
8620 PO OM -0.60000 2
8621 PHC1 HC -0.20000 2
8622 PHC2 HC -0.20000 2
8623 [ bonds ]
8624 PC8 PC5 gb_26
8625 PC5 PC4 gb_15
8626 PC5 PC6 gb_15
8627 PC4 PC3 gb_15
8628 PC6 PC7 gb_15
8629 PC3 PC2 gb_15
8630 PC7 PC2 gb_15
8631 PC2 PC1 gb_26
8632 PC1 PO gb_18
8633 PC1 PHC1 gb_3
8634 PC1 PHC2 gb_3
8635 [ exclusions ]
8636 ; ai aj
8637 PC8 PC3
8638 PC8 PC7
8639 PC5 PC2
8640 PC4 PC7
8641 PC4 PC1
8642 PC6 PC3
8643 PC6 PC1
8644 [ angles ]
8645 ; ai aj ak gromos type
8646 PC8 PC5 PC4 ga_26
8647 PC8 PC5 PC6 ga_26
8648 PC4 PC5 PC6 ga_26
8649 PC5 PC4 PC3 ga_26
8650 PC5 PC6 PC7 ga_26
8651 PC4 PC3 PC2 ga_26
8652 PC6 PC7 PC2 ga_26
8653 PC3 PC2 PC7 ga_26
8654 PC3 PC2 PC1 ga_26
8655 PC7 PC2 PC1 ga_26
8656 PC2 PC1 PO ga_12
8657 PC2 PC1 PHC1 ga_10
8658 PC2 PC1 PHC2 ga_10
8659 PO PC1 PHC1 ga_10
8660 PO PC1 PHC2 ga_10
8661 PHC1 PC1 PHC2 ga_9
8662 [ impropers ]
8663 ; ai aj ak al gromos type
8664 PC5 PC4 PC6 PC8 gi_1
8665 PC6 PC5 PC4 PC3 gi_1
8666 PC4 PC5 PC6 PC7 gi_1
8667 PC5 PC4 PC3 PC2 gi_1
8668 PC5 PC6 PC7 PC2 gi_1
8669 PC4 PC3 PC2 PC7 gi_1
8670 PC6 PC7 PC2 PC3 gi_1
8671 PC2 PC3 PC7 PC1 gi_1
8672 [ dihedrals ]
8673 ; ai aj ak al gromos type
8674 PC3 PC2 PC1 PO gd_20
8676 [ PMBH ]
8677 [ atoms ]
8678 PC8 CH3 0.00000 0
8679 PC5 C 0.00000 0
8680 PC4 CR1 0.00000 0
8681 PC6 CR1 0.00000 0
8682 PC3 CR1 0.00000 1
8683 PC7 CR1 0.00000 1
8684 PC2 C 0.00000 1
8685 PC1 C -0.05000 2
8686 PO OA -0.54800 2
8687 PH H 0.39800 2
8688 PHC1 HC 0.10000 2
8689 PHC2 HC 0.10000 2
8690 [ bonds ]
8691 PC8 PC5 gb_26
8692 PC5 PC4 gb_15
8693 PC5 PC6 gb_15
8694 PC4 PC3 gb_15
8695 PC6 PC7 gb_15
8696 PC3 PC2 gb_15
8697 PC7 PC2 gb_15
8698 PC2 PC1 gb_26
8699 PC1 PO gb_12
8700 PO PH gb_1
8701 PC1 PHC1 gb_3
8702 PC1 PHC2 gb_3
8703 [ exclusions ]
8704 ; ai aj
8705 PC8 PC3
8706 PC8 PC7
8707 PC5 PC2
8708 PC4 PC7
8709 PC4 PC1
8710 PC6 PC3
8711 PC6 PC1
8712 [ angles ]
8713 ; ai aj ak gromos type
8714 PC8 PC5 PC4 ga_26
8715 PC8 PC5 PC6 ga_26
8716 PC4 PC5 PC6 ga_26
8717 PC5 PC4 PC3 ga_26
8718 PC5 PC6 PC7 ga_26
8719 PC4 PC3 PC2 ga_26
8720 PC6 PC7 PC2 ga_26
8721 PC3 PC2 PC7 ga_26
8722 PC3 PC2 PC1 ga_26
8723 PC7 PC2 PC1 ga_26
8724 PC2 PC1 PO ga_12
8725 PC1 PO PH ga_11
8726 PC2 PC1 PHC1 ga_10
8727 PC2 PC1 PHC2 ga_10
8728 PO PC1 PHC1 ga_10
8729 PO PC1 PHC2 ga_10
8730 PHC1 PC1 PHC2 ga_9
8731 [ impropers ]
8732 ; ai aj ak al gromos type
8733 PC5 PC4 PC6 PC8 gi_1
8734 PC6 PC5 PC4 PC3 gi_1
8735 PC4 PC5 PC6 PC7 gi_1
8736 PC5 PC4 PC3 PC2 gi_1
8737 PC5 PC6 PC7 PC2 gi_1
8738 PC4 PC3 PC2 PC7 gi_1
8739 PC6 PC7 PC2 PC3 gi_1
8740 PC2 PC3 PC7 PC1 gi_1
8741 [ dihedrals ]
8742 ; ai aj ak al gromos type
8743 PC3 PC2 PC1 PO gd_20
8744 PC2 PC1 PO PH gd_12
8746 [ BA ]
8747 [ atoms ]
8748 C3 C -0.10000 0
8749 H3 HC 0.10000 0
8750 C2 C -0.10000 1
8751 H2 HC 0.10000 1
8752 C4 C -0.10000 2
8753 H4 HC 0.10000 2
8754 C1 C -0.10000 3
8755 H1 HC 0.10000 3
8756 C5 C -0.10000 4
8757 H5 HC 0.10000 4
8758 C6 C 0.00000 5
8759 C7 C 0.53000 6
8760 O8 O -0.38000 6
8761 O9 OA -0.54800 6
8762 H9 H 0.39800 6
8763 [ bonds ]
8764 C3 H3 gb_3
8765 C3 C2 gb_15
8766 C3 C4 gb_15
8767 C2 H2 gb_3
8768 C2 C1 gb_15
8769 C4 H4 gb_3
8770 C4 C5 gb_15
8771 C1 H1 gb_3
8772 C1 C6 gb_15
8773 C5 H5 gb_3
8774 C5 C6 gb_15
8775 C6 C7 gb_22
8776 C7 O8 gb_4
8777 C7 O9 gb_12
8778 O9 H9 gb_1
8779 [ exclusions ]
8780 ; ai aj
8781 C3 H1
8782 C3 H5
8783 C3 C6
8784 H3 H2
8785 H3 H4
8786 H3 C1
8787 H3 C5
8788 C2 H4
8789 C2 C5
8790 C2 C7
8791 H2 C4
8792 H2 H1
8793 H2 C6
8794 C4 C1
8795 C4 C7
8796 H4 H5
8797 H4 C6
8798 C1 H5
8799 H1 C5
8800 H1 C7
8801 H5 C7
8802 [ angles ]
8803 ; ai aj ak gromos type
8804 H3 C3 C2 ga_24
8805 H3 C3 C4 ga_24
8806 C2 C3 C4 ga_26
8807 C3 C2 H2 ga_24
8808 C3 C2 C1 ga_26
8809 H2 C2 C1 ga_24
8810 C3 C4 H4 ga_24
8811 C3 C4 C5 ga_26
8812 H4 C4 C5 ga_24
8813 C2 C1 H1 ga_24
8814 C2 C1 C6 ga_26
8815 H1 C1 C6 ga_24
8816 C4 C5 H5 ga_24
8817 C4 C5 C6 ga_26
8818 H5 C5 C6 ga_24
8819 C1 C6 C5 ga_26
8820 C1 C6 C7 ga_26
8821 C5 C6 C7 ga_26
8822 C6 C7 O8 ga_29
8823 C6 C7 O9 ga_18
8824 O8 C7 O9 ga_32
8825 C7 O9 H9 ga_11
8826 [ impropers ]
8827 ; ai aj ak al gromos type
8828 C3 C2 C4 H3 gi_1
8829 C2 C1 C3 H2 gi_1
8830 C4 C5 C3 H4 gi_1
8831 C1 C2 C6 H1 gi_1
8832 C5 C4 C6 H5 gi_1
8833 C3 C2 C1 C6 gi_1
8834 C3 C4 C5 C6 gi_1
8835 C2 C3 C4 C5 gi_1
8836 C4 C3 C2 C1 gi_1
8837 C2 C1 C6 C5 gi_1
8838 C4 C5 C6 C1 gi_1
8839 C6 C1 C5 C7 gi_1
8840 C7 O8 O9 C6 gi_1
8841 [ dihedrals ]
8842 ; ai aj ak al gromos type
8843 C1 C6 C7 O9 gd_1
8844 C6 C7 O9 H9 gd_3
8846 [ RTOL ]
8847 [ atoms ]
8848 C18 CH3 0.00000 0
8849 C17 CH3 0.00000 0
8850 C1 C 0.00000 0
8851 C2 CH2 0.00000 1
8852 C3 CH2 0.00000 1
8853 C4 CH2 0.00000 1
8854 C5 C 0.00000 2
8855 C16 CH3 0.00000 2
8856 C6 C 0.00000 2
8857 C7 CR1 0.00000 3
8858 C8 CR1 0.00000 3
8859 C9 C 0.00000 4
8860 C19 CH3 0.00000 4
8861 C10 CR1 0.00000 4
8862 C11 CR1 0.00000 5
8863 C12 CR1 0.00000 5
8864 C13 C 0.00000 6
8865 C20 CH3 0.00000 6
8866 C14 CR1 0.00000 6
8867 C15 CH2 0.15000 7
8868 O21 OA -0.54800 7
8869 H21 H 0.39800 7
8870 [ bonds ]
8871 C18 C1 gb_26
8872 C17 C1 gb_26
8873 C1 C2 gb_26
8874 C1 C6 gb_26
8875 C2 C3 gb_26
8876 C3 C4 gb_26
8877 C4 C5 gb_26
8878 C5 C16 gb_26
8879 C5 C6 gb_9
8880 C6 C7 gb_22
8881 C7 C8 gb_12
8882 C8 C9 gb_22
8883 C9 C19 gb_26
8884 C9 C10 gb_12
8885 C10 C11 gb_22
8886 C11 C12 gb_12
8887 C12 C13 gb_22
8888 C13 C20 gb_26
8889 C13 C14 gb_12
8890 C14 C15 gb_22
8891 C15 O21 gb_17
8892 O21 H21 gb_1
8893 [ angles ]
8894 ; ai aj ak gromos type
8895 C18 C1 C17 ga_12
8896 C18 C1 C2 ga_12
8897 C18 C1 C6 ga_12
8898 C17 C1 C2 ga_12
8899 C17 C1 C6 ga_12
8900 C2 C1 C6 ga_12
8901 C1 C2 C3 ga_12
8902 C2 C3 C4 ga_12
8903 C3 C4 C5 ga_12
8904 C4 C5 C16 ga_26
8905 C4 C5 C6 ga_26
8906 C16 C5 C6 ga_26
8907 C1 C6 C5 ga_26
8908 C1 C6 C7 ga_26
8909 C5 C6 C7 ga_26
8910 C6 C7 C8 ga_26
8911 C7 C8 C9 ga_26
8912 C8 C9 C19 ga_26
8913 C8 C9 C10 ga_26
8914 C19 C9 C10 ga_26
8915 C9 C10 C11 ga_26
8916 C10 C11 C12 ga_26
8917 C11 C12 C13 ga_26
8918 C12 C13 C20 ga_26
8919 C12 C13 C14 ga_26
8920 C20 C13 C14 ga_26
8921 C13 C14 C15 ga_26
8922 C14 C15 O21 ga_12
8923 C15 O21 H21 ga_11
8924 [ impropers ]
8925 ; ai aj ak al gromos type
8926 C5 C4 C6 C16 gi_1
8927 C6 C1 C7 C5 gi_1
8928 C9 C8 C10 C19 gi_1
8929 C13 C12 C14 C20 gi_1
8930 [ dihedrals ]
8931 ; ai aj ak al gromos type
8932 C1 C2 C3 C4 gd_17
8933 C6 C1 C2 C3 gd_17
8934 C2 C3 C4 C5 gd_17
8935 C2 C1 C6 C5 gd_17
8936 C3 C4 C5 C6 gd_17
8937 C4 C5 C6 C1 gd_4
8938 C5 C6 C7 C8 gd_17
8939 C6 C7 C8 C9 gd_4
8940 C7 C8 C9 C10 gd_3
8941 C8 C9 C10 C11 gd_4
8942 C9 C10 C11 C12 gd_3
8943 C10 C11 C12 C13 gd_4
8944 C11 C12 C13 C14 gd_3
8945 C12 C13 C14 C15 gd_4
8946 C13 C14 C15 O21 gd_20
8947 C14 C15 O21 H21 gd_12
8949 [ TEMP ]
8950 [ atoms ]
8951 O1 O -0.20000 0
8952 N1 NR -0.03600 0
8953 C1 C 0.11800 0
8954 C4 C 0.11800 0
8955 CA C 0.00000 1
8956 C3 CR1 0.00000 1
8957 C6 CH3 0.00000 2
8958 C7 CH3 0.00000 3
8959 C8 CH3 0.00000 4
8960 C9 CH3 0.00000 5
8961 C5 C 0.38000 6
8962 O5 O -0.38000 6
8963 [ bonds ]
8964 O1 N1 gb_5
8965 N1 C1 gb_21
8966 N1 C4 gb_21
8967 C1 CA gb_24
8968 C1 C6 gb_25
8969 C1 C7 gb_25
8970 C4 C3 gb_24
8971 C4 C8 gb_25
8972 C4 C9 gb_25
8973 CA C3 gb_6
8974 CA C5 gb_22
8975 C5 O5 gb_4
8976 C5 +N gb_9
8977 [ exclusions ]
8978 ; ai aj
8979 O1 CA
8980 O1 C3
8981 O1 C6
8982 O1 C7
8983 O1 C8
8984 O1 C9
8985 N1 C5
8986 C1 C8
8987 C1 C9
8988 C4 C6
8989 C4 C7
8990 C4 C5
8991 CA C8
8992 CA C9
8993 C3 C6
8994 C3 C7
8995 C6 C5
8996 C7 C5
8997 [ angles ]
8998 ; ai aj ak gromos type
8999 O1 N1 C1 ga_30
9000 O1 N1 C4 ga_30
9001 C1 N1 C4 ga_18
9002 N1 C1 CA ga_2
9003 N1 C1 C6 ga_12
9004 N1 C1 C7 ga_12
9005 CA C1 C6 ga_15
9006 CA C1 C7 ga_15
9007 C6 C1 C7 ga_14
9008 C1 CA C3 ga_15
9009 C1 CA C5 ga_30
9010 C3 CA C5 ga_34
9011 CA C3 C4 ga_15
9012 N1 C4 C3 ga_2
9013 N1 C4 C8 ga_12
9014 N1 C4 C9 ga_12
9015 C3 C4 C8 ga_15
9016 C3 C4 C9 ga_15
9017 C8 C4 C9 ga_14
9018 CA C5 O5 ga_29
9019 CA C5 +N ga_18
9020 O5 C5 +N ga_32
9021 [ impropers ]
9022 ; ai aj ak al gromos type
9023 N1 C1 C4 O1 gi_1
9024 N1 C1 CA C3 gi_1
9025 C1 CA C3 C4 gi_1
9026 CA C3 C4 N1 gi_1
9027 C3 C4 N1 C1 gi_1
9028 C4 N1 C1 CA gi_1
9029 CA C1 C3 C5 gi_1
9030 C5 CA +N O5 gi_1
9031 [ dihedrals ]
9032 ; ai aj ak al gromos type
9033 C3 CA C5 +N gd_4
9035 [ ETH ]
9036 [ atoms ]
9037 EO OM -0.60000 0
9038 EC1 CH2 -0.40000 0
9039 EC2 CH3 0.00000 0
9040 [ bonds ]
9041 EO EC1 gb_18
9042 EC1 EC2 gb_26
9043 [ angles ]
9044 ; ai aj ak gromos type
9045 EO EC1 EC2 ga_12
9046 [ impropers ]
9047 ; ai aj ak al gromos type
9048 [ dihedrals ]
9049 ; ai aj ak al gromos type
9051 [ ETHH ]
9052 [ atoms ]
9053 EH H 0.39800 0
9054 EO OA -0.54800 0
9055 EC1 CH2 0.15000 0
9056 EC2 CH3 0.00000 1
9057 [ bonds ]
9058 EH EO gb_1
9059 EO EC1 gb_17
9060 EC1 EC2 gb_26
9061 [ angles ]
9062 ; ai aj ak gromos type
9063 EH EO EC1 ga_11
9064 EO EC1 EC2 ga_14
9065 [ impropers ]
9066 ; ai aj ak al gromos type
9067 [ dihedrals ]
9068 ; ai aj ak al gromos type
9069 EH EO EC1 EC2 gd_12
9071 [ CH4 ]
9072 [ atoms ]
9073 CM CH4 0.00000 0
9074 [ bonds ]
9075 [ angles ]
9076 ; ai aj ak gromos type
9077 [ impropers ]
9078 ; ai aj ak al gromos type
9079 [ dihedrals ]
9080 ; ai aj ak al gromos type
9082 [ AR ]
9083 [ atoms ]
9084 AR AR 0.00000 0
9085 [ bonds ]
9086 [ angles ]
9087 ; ai aj ak gromos type
9088 [ impropers ]
9089 ; ai aj ak al gromos type
9090 [ dihedrals ]
9091 ; ai aj ak al gromos type
9093 [ SO42- ]
9094 [ atoms ]
9095 S S 0.540 0
9096 O1 OM -0.635 0
9097 O2 OM -0.635 0
9098 O3 OM -0.635 0
9099 O4 OM -0.635 0
9100 [ bonds ]
9101 S O1 gb_24
9102 S O2 gb_24
9103 S O3 gb_24
9104 S O4 gb_24
9105 [ angles ]
9106 ; ai aj ak gromos type
9107 O1 S O2 ga_12
9108 O1 S O3 ga_12
9109 O1 S O4 ga_12
9110 O2 S O3 ga_12
9111 O2 S O4 ga_12
9112 O3 S O4 ga_12
9113 [ impropers ]
9114 ; ai aj ak al gromos type
9115 [ dihedrals ]
9116 ; ai aj ak al gromos type
9118 [ ZN ]
9119 [ atoms ]
9120 ZN ZN2+ 2.00000 0
9121 [ bonds ]
9122 [ angles ]
9123 ; ai aj ak gromos type
9124 [ impropers ]
9125 ; ai aj ak al gromos type
9126 [ dihedrals ]
9127 ; ai aj ak al gromos type
9129 [ NA ]
9130 [ atoms ]
9131 NA NA+ 1.00000 0
9132 [ bonds ]
9133 [ angles ]
9134 ; ai aj ak gromos type
9135 [ impropers ]
9136 ; ai aj ak al gromos type
9137 [ dihedrals ]
9138 ; ai aj ak al gromos type
9140 [ CL ]
9141 [ atoms ]
9142 CL CL- -1.00000 0
9143 [ bonds ]
9144 [ angles ]
9145 ; ai aj ak gromos type
9146 [ impropers ]
9147 ; ai aj ak al gromos type
9148 [ dihedrals ]
9149 ; ai aj ak al gromos type
9151 [ CA ]
9152 [ atoms ]
9153 CA CA2+ 2.00000 0
9154 [ bonds ]
9155 [ angles ]
9156 ; ai aj ak gromos type
9157 [ impropers ]
9158 ; ai aj ak al gromos type
9159 [ dihedrals ]
9160 ; ai aj ak al gromos type
9162 [ MG ]
9163 [ atoms ]
9164 MG MG2+ 2.00000 0
9165 [ bonds ]
9166 [ angles ]
9167 ; ai aj ak gromos type
9168 [ impropers ]
9169 ; ai aj ak al gromos type
9170 [ dihedrals ]
9171 ; ai aj ak al gromos type
9173 [ CU1 ]
9174 [ atoms ]
9175 CU CU1+ 1.00000 0
9176 [ bonds ]
9177 [ angles ]
9178 ; ai aj ak gromos type
9179 [ impropers ]
9180 ; ai aj ak al gromos type
9181 [ dihedrals ]
9182 ; ai aj ak al gromos type
9184 [ CU ]
9185 [ atoms ]
9186 CU CU2+ 2.00000 0
9187 [ bonds ]
9188 [ angles ]
9189 ; ai aj ak gromos type
9190 [ impropers ]
9191 ; ai aj ak al gromos type
9192 [ dihedrals ]
9193 ; ai aj ak al gromos type
9195 [ H2O ]
9196 [ atoms ]
9197 OW OW -0.82000 0
9198 HW1 H 0.41000 0
9199 HW2 H 0.41000 0
9200 [ bonds ]
9201 OW HW1 gb_35
9202 OW HW2 gb_35
9203 HW1 HW2 gb_41
9204 [ angles ]
9205 ; ai aj ak gromos type
9206 [ impropers ]
9207 ; ai aj ak al gromos type
9208 [ dihedrals ]
9209 ; ai aj ak al gromos type
9211 [ HOH ]
9212 [ atoms ]
9213 OW OW -0.82000 0
9214 HW1 H 0.41000 0
9215 HW2 H 0.41000 0
9216 [ bonds ]
9217 OW HW1 gb_35
9218 OW HW2 gb_35
9219 HW1 HW2 gb_41
9220 [ angles ]
9221 ; ai aj ak gromos type
9222 [ impropers ]
9223 ; ai aj ak al gromos type
9224 [ dihedrals ]
9225 ; ai aj ak al gromos type
9227 [ HO4 ]
9228 [ atoms ]
9229 OW OWT4 0.0 0
9230 HW1 H 0.52 0
9231 HW2 H 0.52 0
9232 MW IW -1.04 0
9233 [ bonds ]
9234 OW HW1 gb_35
9235 OW HW2 gb_35
9236 [ angles ]
9237 ; ai aj ak gromos type
9238 [ impropers ]
9239 ; ai aj ak al gromos type
9240 [ dihedrals ]
9241 ; ai aj ak al gromos type
9243 [ H2OE ]
9244 [ atoms ]
9245 OW OW -0.84760 0
9246 HW1 H 0.42380 0
9247 HW2 H 0.42380 0
9248 [ bonds ]
9249 OW HW1 gb_35
9250 OW HW2 gb_35
9251 HW1 HW2 gb_41
9252 [ angles ]
9253 ; ai aj ak gromos type
9254 [ impropers ]
9255 ; ai aj ak al gromos type
9256 [ dihedrals ]
9257 ; ai aj ak al gromos type
9259 [ CHCL3 ]
9260 [ atoms ]
9261 CChl CChl 0.17900 0
9262 HChl HChl 0.08200 0
9263 CLCh1 CLChl -0.08700 0
9264 CLCh2 CLChl -0.08700 0
9265 CLCh3 CLChl -0.08700 0
9266 [ bonds ]
9267 CChl CLCh1 gb_37
9268 CChl CLCh2 gb_37
9269 CChl CLCh3 gb_37
9270 HChl CLCh1 gb_42
9271 HChl CLCh2 gb_42
9272 HChl CLCh3 gb_42
9273 CLCh1 CLCh2 gb_43
9274 CLCh1 CLCh3 gb_43
9275 CLCh2 CLCh3 gb_43
9276 [ angles ]
9277 ; ai aj ak gromos type
9278 [ impropers ]
9279 ; ai aj ak al gromos type
9280 [ dihedrals ]
9281 ; ai aj ak al gromos type
9283 [ DMSO ]
9284 [ atoms ]
9285 SDmso SDmso 0.13900 0
9286 ODmso ODmso -0.45900 0
9287 CDms1 CDmso 0.16000 0
9288 CDms2 CDmso 0.16000 0
9289 [ bonds ]
9290 SDmso ODmso gb_38
9291 SDmso CDms1 gb_39
9292 SDmso CDms2 gb_39
9293 ODmso CDms1 gb_44
9294 ODmso CDms2 gb_44
9295 CDms1 CDms2 gb_45
9296 [ angles ]
9297 ; ai aj ak gromos type
9298 [ impropers ]
9299 ; ai aj ak al gromos type
9300 [ dihedrals ]
9301 ; ai aj ak al gromos type
9303 [ CH3OH ]
9304 [ atoms ]
9305 Omet OMet -0.57400 0
9306 HMet H 0.39800 0
9307 CMet CMet 0.17600 0
9308 [ bonds ]
9309 Omet HMet gb_1
9310 Omet CMet gb_17
9311 HMet CMet gb_46
9312 [ angles ]
9313 ; ai aj ak gromos type
9314 [ impropers ]
9315 ; ai aj ak al gromos type
9316 [ dihedrals ]
9317 ; ai aj ak al gromos type
9319 [ CCL4 ]
9320 [ atoms ]
9321 CCl4 CCl4 0.00000 0
9322 CLCl1 CLCl4 0.00000 0
9323 CLCl2 CLCl4 0.00000 0
9324 CLCl3 CLCl4 0.00000 0
9325 CLCl4 CLCl4 0.00000 0
9326 [ bonds ]
9327 CCl4 CLCl1 gb_40
9328 CCl4 CLCl2 gb_40
9329 CCl4 CLCl3 gb_40
9330 CCl4 CLCl4 gb_40
9331 CLCl1 CLCl2 gb_47
9332 CLCl1 CLCl3 gb_47
9333 CLCl1 CLCl4 gb_47
9334 CLCl2 CLCl3 gb_47
9335 CLCl2 CLCl4 gb_47
9336 [ angles ]
9337 ; ai aj ak gromos type
9338 [ impropers ]
9339 ; ai aj ak al gromos type
9340 [ dihedrals ]
9341 ; ai aj ak al gromos type