1
2
3
4
5
6
7
8
9
10
11
12
13
14
15
16
17
18
19
20
21
22
23
24
25
26
27
28
29
30
31
32
33
34
35
36
37
38
39
40
41
42
43
44
45
46
47
48
49
50
51
52
53
54
55
56
57
58
59
60
61
62
63
64
65
66
67
68
69
70
71
72
73
74
75
76
77
78
79
80
81
82
83
84
85
86
87
88
89
90
91
92
93
94
95
96
97
98
99
100
101
102
103
104
105
106
107
108
109
110
111
112
113
114
115
116
117
118
119
120
121
122
123
124
125
126
127
128
129
130
131
132
133
134
135
136
137
138
139
140
141
142
143
144
145
146
147
148
149
150
151
152
153
154
155
156
157
158
159
160
161
162
163
164
165
166
167
168
169
170
171
172
173
174
175
176
177
178
179
180
181
182
183
184
185
186
187
188
189
190
191
192
193
194
195
196
197
198
199
200
201
202
203
204
205
206
207
208
209
210
211
212
213
214
215
216
217
218
219
220
221
222
223
224
225
226
227
228
229
230
231
232
233
234
235
236
237
238
239
240
241
242
243
244
245
246
247
248
249
250
251
252
253
254
255
256
257
258
259
260
261
262
263
264
265
266
267
268
269
270
271
272
273
274
275
276
277
278
279
280
281
282
283
284
285
286
287
288
289
290
291
292
293
294
295
296
297
298
299
300
301
302
303
304
305
306
307
308
309
310
311
312
313
314
315
316
317
318
319
320
321
322
323
324
325
326
327
328
329
330
331
332
333
334
335
336
337
338
339
340
341
342
343
344
345
346
347
348
349
350
351
352
353
354
355
356
357
358
359
360
361
362
363
364
365
366
367
368
369
370
371
372
373
374
375
376
377
378
379
380
381
382
383
384
385
386
387
388
389
390
391
392
393
394
395
396
397
398
399
400
401
402
403
404
405
406
407
408
409
410
411
412
413
414
415
416
417
418
419
420
421
422
423
424
425
426
427
428
429
430
431
432
433
434
435
436
437
438
439
440
441
442
443
444
445
446
447
448
449
450
451
452
453
454
455
456
457
458
459
460
461
462
463
464
465
466
467
468
469
470
471
472
473
474
475
476
477
478
479
480
481
482
483
484
485
486
487
488
489
490
491
492
493
494
495
496
497
498
499
500
501
502
503
504
505
506
507
508
509
510
511
512
513
514
515
516
517
518
519
520
521
522
523
524
525
526
527
528
529
|
global_
_lib_name ?
_lib_version ?
_lib_update ?
# ------------------------------------------------
#
# --- LIST OF MONOMERS ---
#
data_comp_list
loop_
_chem_comp.id
_chem_comp.three_letter_code
_chem_comp.name
_chem_comp.group
_chem_comp.number_atoms_all
_chem_comp.number_atoms_nh
_chem_comp.desc_level
G0G G0G 'N,N'-(3S,4S)-PYRROLIDINE-3,4-DIYLBIS' non-polymer 70 39 .
# ------------------------------------------------------
# ------------------------------------------------------
#
# --- DESCRIPTION OF MONOMERS ---
#
data_comp_G0G
#
loop_
_chem_comp_atom.comp_id
_chem_comp_atom.atom_id
_chem_comp_atom.type_symbol
_chem_comp_atom.type_energy
_chem_comp_atom.partial_charge
_chem_comp_atom.x
_chem_comp_atom.y
_chem_comp_atom.z
G0G O41 O OS 0.000 0.000 0.000 0.000
G0G S8 S ST 0.000 -1.113 -0.880 0.062
G0G O10 O OS 0.000 -1.336 -1.776 1.142
G0G C26 C CR6 0.000 -1.052 -1.865 -1.397
G0G C17 C CR16 0.000 -0.519 -1.343 -2.561
G0G H17 H H 0.000 -0.142 -0.328 -2.577
G0G C1 C CR16 0.000 -0.466 -2.118 -3.705
G0G H1 H H 0.000 -0.041 -1.711 -4.614
G0G C4 C CR16 0.000 -0.957 -3.410 -3.688
G0G H4 H H 0.000 -0.919 -4.015 -4.586
G0G C3 C CR16 0.000 -1.495 -3.930 -2.525
G0G H3 H H 0.000 -1.880 -4.943 -2.512
G0G C19 C CR16 0.000 -1.542 -3.157 -1.380
G0G H19 H H 0.000 -1.963 -3.565 -0.470
G0G N28 N N 0.000 -2.466 0.069 -0.044
G0G C7 C CH2 0.000 -2.435 1.304 -0.831
G0G H71 H H 0.000 -1.406 1.523 -1.123
G0G H72 H H 0.000 -2.825 2.128 -0.230
G0G C12 C CR6 0.000 -3.284 1.135 -2.064
G0G C14 C CR16 0.000 -4.650 1.342 -1.998
G0G H14 H H 0.000 -5.109 1.623 -1.058
G0G C30 C CR16 0.000 -5.428 1.191 -3.130
G0G H30 H H 0.000 -6.497 1.360 -3.079
G0G C31 C CR16 0.000 -4.842 0.825 -4.327
G0G H31 H H 0.000 -5.452 0.705 -5.214
G0G C29 C CR16 0.000 -3.478 0.613 -4.393
G0G H29 H H 0.000 -3.019 0.325 -5.331
G0G C13 C CR16 0.000 -2.699 0.768 -3.262
G0G H13 H H 0.000 -1.630 0.602 -3.313
G0G C23 C CH1 0.000 -3.695 -0.326 0.651
G0G H23 H H 0.000 -4.500 0.392 0.441
G0G C24 C CH1 0.000 -3.444 -0.422 2.173
G0G H24 H H 0.000 -2.376 -0.573 2.382
G0G C25 C CH2 0.000 -4.265 -1.671 2.581
G0G H251 H H 0.000 -5.328 -1.451 2.701
G0G H252 H H 0.000 -3.887 -2.140 3.492
G0G N22 N NH1 0.000 -4.075 -2.593 1.432
G0G HN22 H H 0.000 -3.944 -3.594 1.470
G0G C21 C CH2 0.000 -4.117 -1.744 0.222
G0G H212 H H 0.000 -5.127 -1.714 -0.192
G0G H211 H H 0.000 -3.425 -2.118 -0.535
G0G N32 N N 0.000 -3.943 0.773 2.857
G0G C33 C CH2 0.000 -3.024 1.614 3.628
G0G H331 H H 0.000 -2.309 0.980 4.157
G0G H332 H H 0.000 -3.591 2.203 4.352
G0G C34 C CR6 0.000 -2.285 2.538 2.694
G0G C38 C CR16 0.000 -2.828 3.766 2.363
G0G H38 H H 0.000 -3.786 4.062 2.773
G0G C39 C CR16 0.000 -2.149 4.615 1.510
G0G H39 H H 0.000 -2.571 5.579 1.256
G0G C37 C CR16 0.000 -0.931 4.233 0.980
G0G H37 H H 0.000 -0.400 4.897 0.310
G0G C36 C CR16 0.000 -0.390 3.002 1.307
G0G H36 H H 0.000 0.565 2.703 0.892
G0G C35 C CR16 0.000 -1.067 2.156 2.163
G0G H35 H H 0.000 -0.644 1.192 2.419
G0G S9 S ST 0.000 -5.547 1.174 2.758
G0G O11 O OS 0.000 -6.081 0.431 1.671
G0G O40 O OS 0.000 -5.612 2.591 2.838
G0G C27 C CR6 0.000 -6.329 0.558 4.213
G0G C20 C CR16 0.000 -6.977 -0.663 4.185
G0G H20 H H 0.000 -7.008 -1.239 3.268
G0G C5 C CR16 0.000 -7.586 -1.148 5.327
G0G H5 H H 0.000 -8.088 -2.108 5.307
G0G C6 C CR16 0.000 -7.555 -0.407 6.495
G0G H6 H H 0.000 -8.035 -0.786 7.389
G0G C2 C CR16 0.000 -6.911 0.816 6.521
G0G H2 H H 0.000 -6.888 1.396 7.435
G0G C18 C CR16 0.000 -6.298 1.298 5.380
G0G H18 H H 0.000 -5.793 2.256 5.401
loop_
_chem_comp_tree.comp_id
_chem_comp_tree.atom_id
_chem_comp_tree.atom_back
_chem_comp_tree.atom_forward
_chem_comp_tree.connect_type
G0G O41 n/a S8 START
G0G S8 O41 N28 .
G0G O10 S8 . .
G0G C26 S8 C17 .
G0G C17 C26 C1 .
G0G H17 C17 . .
G0G C1 C17 C4 .
G0G H1 C1 . .
G0G C4 C1 C3 .
G0G H4 C4 . .
G0G C3 C4 C19 .
G0G H3 C3 . .
G0G C19 C3 H19 .
G0G H19 C19 . .
G0G N28 S8 C23 .
G0G C7 N28 C12 .
G0G H71 C7 . .
G0G H72 C7 . .
G0G C12 C7 C14 .
G0G C14 C12 C30 .
G0G H14 C14 . .
G0G C30 C14 C31 .
G0G H30 C30 . .
G0G C31 C30 C29 .
G0G H31 C31 . .
G0G C29 C31 C13 .
G0G H29 C29 . .
G0G C13 C29 H13 .
G0G H13 C13 . .
G0G C23 N28 C24 .
G0G H23 C23 . .
G0G C24 C23 N32 .
G0G H24 C24 . .
G0G C25 C24 N22 .
G0G H251 C25 . .
G0G H252 C25 . .
G0G N22 C25 C21 .
G0G HN22 N22 . .
G0G C21 N22 H211 .
G0G H212 C21 . .
G0G H211 C21 . .
G0G N32 C24 S9 .
G0G C33 N32 C34 .
G0G H331 C33 . .
G0G H332 C33 . .
G0G C34 C33 C38 .
G0G C38 C34 C39 .
G0G H38 C38 . .
G0G C39 C38 C37 .
G0G H39 C39 . .
G0G C37 C39 C36 .
G0G H37 C37 . .
G0G C36 C37 C35 .
G0G H36 C36 . .
G0G C35 C36 H35 .
G0G H35 C35 . .
G0G S9 N32 C27 .
G0G O11 S9 . .
G0G O40 S9 . .
G0G C27 S9 C20 .
G0G C20 C27 C5 .
G0G H20 C20 . .
G0G C5 C20 C6 .
G0G H5 C5 . .
G0G C6 C5 C2 .
G0G H6 C6 . .
G0G C2 C6 C18 .
G0G H2 C2 . .
G0G C18 C2 H18 .
G0G H18 C18 . END
G0G C12 C13 . ADD
G0G C23 C21 . ADD
G0G C27 C18 . ADD
G0G C34 C35 . ADD
G0G C26 C19 . ADD
loop_
_chem_comp_bond.comp_id
_chem_comp_bond.atom_id_1
_chem_comp_bond.atom_id_2
_chem_comp_bond.type
_chem_comp_bond.value_dist
_chem_comp_bond.value_dist_esd
G0G O10 S8 double 1.436 0.020
G0G C26 S8 single 1.595 0.020
G0G S8 O41 double 1.436 0.020
G0G N28 S8 single 1.520 0.020
G0G C7 N28 single 1.455 0.020
G0G C23 N28 single 1.455 0.020
G0G C12 C7 single 1.511 0.020
G0G H71 C7 single 1.092 0.020
G0G H72 C7 single 1.092 0.020
G0G C14 C12 single 1.390 0.020
G0G C12 C13 double 1.390 0.020
G0G C13 C29 single 1.390 0.020
G0G H13 C13 single 1.083 0.020
G0G C29 C31 double 1.390 0.020
G0G H29 C29 single 1.083 0.020
G0G C31 C30 single 1.390 0.020
G0G H31 C31 single 1.083 0.020
G0G C30 C14 double 1.390 0.020
G0G H30 C30 single 1.083 0.020
G0G H14 C14 single 1.083 0.020
G0G C23 C21 single 1.524 0.020
G0G C24 C23 single 1.524 0.020
G0G H23 C23 single 1.099 0.020
G0G C21 N22 single 1.450 0.020
G0G H211 C21 single 1.092 0.020
G0G H212 C21 single 1.092 0.020
G0G N22 C25 single 1.450 0.020
G0G HN22 N22 single 1.010 0.020
G0G C25 C24 single 1.524 0.020
G0G H251 C25 single 1.092 0.020
G0G H252 C25 single 1.092 0.020
G0G N32 C24 single 1.455 0.020
G0G H24 C24 single 1.099 0.020
G0G C33 N32 single 1.455 0.020
G0G S9 N32 single 1.520 0.020
G0G O11 S9 double 1.436 0.020
G0G C27 S9 single 1.595 0.020
G0G O40 S9 double 1.436 0.020
G0G C27 C18 single 1.390 0.020
G0G C20 C27 double 1.390 0.020
G0G C18 C2 double 1.390 0.020
G0G H18 C18 single 1.083 0.020
G0G C2 C6 single 1.390 0.020
G0G H2 C2 single 1.083 0.020
G0G C6 C5 double 1.390 0.020
G0G H6 C6 single 1.083 0.020
G0G C5 C20 single 1.390 0.020
G0G H5 C5 single 1.083 0.020
G0G H20 C20 single 1.083 0.020
G0G C34 C33 single 1.511 0.020
G0G H331 C33 single 1.092 0.020
G0G H332 C33 single 1.092 0.020
G0G C38 C34 single 1.390 0.020
G0G C34 C35 double 1.390 0.020
G0G C35 C36 single 1.390 0.020
G0G H35 C35 single 1.083 0.020
G0G C36 C37 double 1.390 0.020
G0G H36 C36 single 1.083 0.020
G0G C37 C39 single 1.390 0.020
G0G H37 C37 single 1.083 0.020
G0G C39 C38 double 1.390 0.020
G0G H39 C39 single 1.083 0.020
G0G H38 C38 single 1.083 0.020
G0G C17 C26 single 1.390 0.020
G0G C26 C19 double 1.390 0.020
G0G C19 C3 single 1.390 0.020
G0G H19 C19 single 1.083 0.020
G0G C3 C4 double 1.390 0.020
G0G H3 C3 single 1.083 0.020
G0G C4 C1 single 1.390 0.020
G0G H4 C4 single 1.083 0.020
G0G C1 C17 double 1.390 0.020
G0G H1 C1 single 1.083 0.020
G0G H17 C17 single 1.083 0.020
loop_
_chem_comp_angle.comp_id
_chem_comp_angle.atom_id_1
_chem_comp_angle.atom_id_2
_chem_comp_angle.atom_id_3
_chem_comp_angle.value_angle
_chem_comp_angle.value_angle_esd
G0G O41 S8 O10 109.500 3.000
G0G O41 S8 C26 109.500 3.000
G0G O41 S8 N28 109.500 3.000
G0G O10 S8 C26 109.500 3.000
G0G O10 S8 N28 109.500 3.000
G0G C26 S8 N28 109.500 3.000
G0G S8 C26 C17 120.000 3.000
G0G S8 C26 C19 120.000 3.000
G0G C17 C26 C19 120.000 3.000
G0G C26 C17 H17 120.000 3.000
G0G C26 C17 C1 120.000 3.000
G0G H17 C17 C1 120.000 3.000
G0G C17 C1 H1 120.000 3.000
G0G C17 C1 C4 120.000 3.000
G0G H1 C1 C4 120.000 3.000
G0G C1 C4 H4 120.000 3.000
G0G C1 C4 C3 120.000 3.000
G0G H4 C4 C3 120.000 3.000
G0G C4 C3 H3 120.000 3.000
G0G C4 C3 C19 120.000 3.000
G0G H3 C3 C19 120.000 3.000
G0G C3 C19 H19 120.000 3.000
G0G C3 C19 C26 120.000 3.000
G0G H19 C19 C26 120.000 3.000
G0G S8 N28 C7 120.000 3.000
G0G S8 N28 C23 120.000 3.000
G0G C7 N28 C23 112.000 3.000
G0G N28 C7 H71 109.470 3.000
G0G N28 C7 H72 109.470 3.000
G0G N28 C7 C12 109.470 3.000
G0G H71 C7 H72 107.900 3.000
G0G H71 C7 C12 109.470 3.000
G0G H72 C7 C12 109.470 3.000
G0G C7 C12 C14 120.000 3.000
G0G C7 C12 C13 120.000 3.000
G0G C14 C12 C13 120.000 3.000
G0G C12 C14 H14 120.000 3.000
G0G C12 C14 C30 120.000 3.000
G0G H14 C14 C30 120.000 3.000
G0G C14 C30 H30 120.000 3.000
G0G C14 C30 C31 120.000 3.000
G0G H30 C30 C31 120.000 3.000
G0G C30 C31 H31 120.000 3.000
G0G C30 C31 C29 120.000 3.000
G0G H31 C31 C29 120.000 3.000
G0G C31 C29 H29 120.000 3.000
G0G C31 C29 C13 120.000 3.000
G0G H29 C29 C13 120.000 3.000
G0G C29 C13 H13 120.000 3.000
G0G C29 C13 C12 120.000 3.000
G0G H13 C13 C12 120.000 3.000
G0G N28 C23 H23 109.470 3.000
G0G N28 C23 C24 105.000 3.000
G0G N28 C23 C21 105.000 3.000
G0G H23 C23 C24 108.340 3.000
G0G H23 C23 C21 108.340 3.000
G0G C24 C23 C21 111.000 3.000
G0G C23 C24 H24 108.340 3.000
G0G C23 C24 C25 111.000 3.000
G0G C23 C24 N32 105.000 3.000
G0G H24 C24 C25 108.340 3.000
G0G H24 C24 N32 109.470 3.000
G0G C25 C24 N32 105.000 3.000
G0G C24 C25 H251 109.470 3.000
G0G C24 C25 H252 109.470 3.000
G0G C24 C25 N22 110.000 3.000
G0G H251 C25 H252 107.900 3.000
G0G H251 C25 N22 109.470 3.000
G0G H252 C25 N22 109.470 3.000
G0G C25 N22 HN22 118.500 3.000
G0G C25 N22 C21 120.000 3.000
G0G HN22 N22 C21 118.500 3.000
G0G N22 C21 H212 109.470 3.000
G0G N22 C21 H211 109.470 3.000
G0G N22 C21 C23 110.000 3.000
G0G H212 C21 H211 107.900 3.000
G0G H212 C21 C23 109.470 3.000
G0G H211 C21 C23 109.470 3.000
G0G C24 N32 C33 112.000 3.000
G0G C24 N32 S9 120.000 3.000
G0G C33 N32 S9 120.000 3.000
G0G N32 C33 H331 109.470 3.000
G0G N32 C33 H332 109.470 3.000
G0G N32 C33 C34 109.470 3.000
G0G H331 C33 H332 107.900 3.000
G0G H331 C33 C34 109.470 3.000
G0G H332 C33 C34 109.470 3.000
G0G C33 C34 C38 120.000 3.000
G0G C33 C34 C35 120.000 3.000
G0G C38 C34 C35 120.000 3.000
G0G C34 C38 H38 120.000 3.000
G0G C34 C38 C39 120.000 3.000
G0G H38 C38 C39 120.000 3.000
G0G C38 C39 H39 120.000 3.000
G0G C38 C39 C37 120.000 3.000
G0G H39 C39 C37 120.000 3.000
G0G C39 C37 H37 120.000 3.000
G0G C39 C37 C36 120.000 3.000
G0G H37 C37 C36 120.000 3.000
G0G C37 C36 H36 120.000 3.000
G0G C37 C36 C35 120.000 3.000
G0G H36 C36 C35 120.000 3.000
G0G C36 C35 H35 120.000 3.000
G0G C36 C35 C34 120.000 3.000
G0G H35 C35 C34 120.000 3.000
G0G N32 S9 O11 109.500 3.000
G0G N32 S9 O40 109.500 3.000
G0G N32 S9 C27 109.500 3.000
G0G O11 S9 O40 109.500 3.000
G0G O11 S9 C27 109.500 3.000
G0G O40 S9 C27 109.500 3.000
G0G S9 C27 C20 120.000 3.000
G0G S9 C27 C18 120.000 3.000
G0G C20 C27 C18 120.000 3.000
G0G C27 C20 H20 120.000 3.000
G0G C27 C20 C5 120.000 3.000
G0G H20 C20 C5 120.000 3.000
G0G C20 C5 H5 120.000 3.000
G0G C20 C5 C6 120.000 3.000
G0G H5 C5 C6 120.000 3.000
G0G C5 C6 H6 120.000 3.000
G0G C5 C6 C2 120.000 3.000
G0G H6 C6 C2 120.000 3.000
G0G C6 C2 H2 120.000 3.000
G0G C6 C2 C18 120.000 3.000
G0G H2 C2 C18 120.000 3.000
G0G C2 C18 H18 120.000 3.000
G0G C2 C18 C27 120.000 3.000
G0G H18 C18 C27 120.000 3.000
loop_
_chem_comp_tor.comp_id
_chem_comp_tor.id
_chem_comp_tor.atom_id_1
_chem_comp_tor.atom_id_2
_chem_comp_tor.atom_id_3
_chem_comp_tor.atom_id_4
_chem_comp_tor.value_angle
_chem_comp_tor.value_angle_esd
_chem_comp_tor.period
G0G var_1 O41 S8 C26 C17 -30.692 20.000 1
G0G CONST_1 S8 C26 C19 C3 180.000 0.000 0
G0G CONST_2 S8 C26 C17 C1 180.000 0.000 0
G0G CONST_3 C26 C17 C1 C4 0.000 0.000 0
G0G CONST_4 C17 C1 C4 C3 0.000 0.000 0
G0G CONST_5 C1 C4 C3 C19 0.000 0.000 0
G0G CONST_6 C4 C3 C19 C26 0.000 0.000 0
G0G var_2 O41 S8 N28 C23 -147.889 20.000 1
G0G var_3 S8 N28 C7 C12 110.173 20.000 1
G0G var_4 N28 C7 C12 C14 83.871 20.000 2
G0G CONST_7 C7 C12 C13 C29 180.000 0.000 0
G0G CONST_8 C7 C12 C14 C30 180.000 0.000 0
G0G CONST_9 C12 C14 C30 C31 0.000 0.000 0
G0G CONST_10 C14 C30 C31 C29 0.000 0.000 0
G0G CONST_11 C30 C31 C29 C13 0.000 0.000 0
G0G CONST_12 C31 C29 C13 C12 0.000 0.000 0
G0G var_5 S8 N28 C23 C24 60.109 20.000 3
G0G var_6 N28 C23 C21 N22 120.000 20.000 3
G0G var_7 N28 C23 C24 N32 90.000 20.000 3
G0G var_8 C23 C24 C25 N22 30.000 20.000 3
G0G var_9 C24 C25 N22 C21 -30.000 20.000 3
G0G var_10 C25 N22 C21 C23 30.000 20.000 3
G0G var_11 C23 C24 N32 S9 59.809 20.000 3
G0G var_12 C24 N32 C33 C34 81.339 20.000 1
G0G var_13 N32 C33 C34 C38 87.946 20.000 2
G0G CONST_13 C33 C34 C35 C36 180.000 0.000 0
G0G CONST_14 C33 C34 C38 C39 180.000 0.000 0
G0G CONST_15 C34 C38 C39 C37 0.000 0.000 0
G0G CONST_16 C38 C39 C37 C36 0.000 0.000 0
G0G CONST_17 C39 C37 C36 C35 0.000 0.000 0
G0G CONST_18 C37 C36 C35 C34 0.000 0.000 0
G0G var_14 C24 N32 S9 C27 97.199 20.000 1
G0G var_15 N32 S9 C27 C20 -96.518 20.000 1
G0G CONST_19 S9 C27 C18 C2 180.000 0.000 0
G0G CONST_20 S9 C27 C20 C5 180.000 0.000 0
G0G CONST_21 C27 C20 C5 C6 0.000 0.000 0
G0G CONST_22 C20 C5 C6 C2 0.000 0.000 0
G0G CONST_23 C5 C6 C2 C18 0.000 0.000 0
G0G CONST_24 C6 C2 C18 C27 0.000 0.000 0
loop_
_chem_comp_chir.comp_id
_chem_comp_chir.id
_chem_comp_chir.atom_id_centre
_chem_comp_chir.atom_id_1
_chem_comp_chir.atom_id_2
_chem_comp_chir.atom_id_3
_chem_comp_chir.volume_sign
G0G chir_01 S8 O10 N28 O41 negativ
G0G chir_02 C23 N28 C21 C24 negativ
G0G chir_03 C24 C23 C25 N32 positiv
G0G chir_04 S9 N32 O11 C27 negativ
loop_
_chem_comp_plane_atom.comp_id
_chem_comp_plane_atom.plane_id
_chem_comp_plane_atom.atom_id
_chem_comp_plane_atom.dist_esd
G0G plan-1 N28 0.020
G0G plan-1 S8 0.020
G0G plan-1 C7 0.020
G0G plan-1 C23 0.020
G0G plan-2 C12 0.020
G0G plan-2 C7 0.020
G0G plan-2 C13 0.020
G0G plan-2 C14 0.020
G0G plan-2 C29 0.020
G0G plan-2 C31 0.020
G0G plan-2 C30 0.020
G0G plan-2 H13 0.020
G0G plan-2 H29 0.020
G0G plan-2 H31 0.020
G0G plan-2 H30 0.020
G0G plan-2 H14 0.020
G0G plan-3 N22 0.020
G0G plan-3 C21 0.020
G0G plan-3 C25 0.020
G0G plan-3 HN22 0.020
G0G plan-4 N32 0.020
G0G plan-4 C24 0.020
G0G plan-4 S9 0.020
G0G plan-4 C33 0.020
G0G plan-5 C27 0.020
G0G plan-5 S9 0.020
G0G plan-5 C18 0.020
G0G plan-5 C20 0.020
G0G plan-5 C2 0.020
G0G plan-5 C6 0.020
G0G plan-5 C5 0.020
G0G plan-5 H18 0.020
G0G plan-5 H2 0.020
G0G plan-5 H6 0.020
G0G plan-5 H5 0.020
G0G plan-5 H20 0.020
G0G plan-6 C34 0.020
G0G plan-6 C33 0.020
G0G plan-6 C35 0.020
G0G plan-6 C38 0.020
G0G plan-6 C36 0.020
G0G plan-6 C37 0.020
G0G plan-6 C39 0.020
G0G plan-6 H35 0.020
G0G plan-6 H36 0.020
G0G plan-6 H37 0.020
G0G plan-6 H39 0.020
G0G plan-6 H38 0.020
G0G plan-7 C26 0.020
G0G plan-7 S8 0.020
G0G plan-7 C19 0.020
G0G plan-7 C17 0.020
G0G plan-7 C3 0.020
G0G plan-7 C4 0.020
G0G plan-7 C1 0.020
G0G plan-7 H19 0.020
G0G plan-7 H3 0.020
G0G plan-7 H4 0.020
G0G plan-7 H1 0.020
G0G plan-7 H17 0.020
# ------------------------------------------------------
|
