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
|
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
CNO CNO '"2-{4-[(3{2-[4-(1-CARBOXY-1-METHYL-E' non-polymer 70 40 .
# ------------------------------------------------------
# ------------------------------------------------------
#
# --- DESCRIPTION OF MONOMERS ---
#
data_comp_CNO
#
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
CNO O40 O OC -0.500 0.000 0.000 0.000
CNO C38 C C 0.000 -0.423 0.296 -1.140
CNO O39 O OC -0.500 0.379 0.643 -2.034
CNO C35 C CT 0.000 -1.900 0.233 -1.435
CNO C36 C CH3 0.000 -2.648 1.187 -0.504
CNO H363 H H 0.000 -3.692 1.068 -0.640
CNO H362 H H 0.000 -2.397 0.970 0.502
CNO H361 H H 0.000 -2.376 2.186 -0.727
CNO C37 C CH3 0.000 -2.404 -1.195 -1.213
CNO H373 H H 0.000 -2.129 -1.521 -0.242
CNO H372 H H 0.000 -3.459 -1.217 -1.305
CNO H371 H H 0.000 -1.974 -1.840 -1.935
CNO O34 O O2 0.000 -2.131 0.612 -2.793
CNO C33 C CR6 0.000 -3.477 0.649 -2.966
CNO C30 C CR16 0.000 -4.165 -0.500 -3.324
CNO H30C H H 0.000 -3.629 -1.431 -3.465
CNO C29 C CR16 0.000 -5.534 -0.458 -3.501
CNO H29C H H 0.000 -6.071 -1.356 -3.781
CNO C32 C CR16 0.000 -4.168 1.840 -2.786
CNO H32C H H 0.000 -3.634 2.739 -2.503
CNO C31 C CR16 0.000 -5.537 1.877 -2.968
CNO H31C H H 0.000 -6.075 2.807 -2.834
CNO C28 C CR6 0.000 -6.221 0.728 -3.320
CNO C27 C CH2 0.000 -7.714 0.770 -3.513
CNO H271 H H 0.000 -8.005 0.027 -4.258
CNO H272 H H 0.000 -8.007 1.764 -3.858
CNO C25 C C 0.000 -8.399 0.468 -2.205
CNO O26 O O 0.000 -7.738 0.241 -1.213
CNO N24 N NH1 0.000 -9.744 0.451 -2.136
CNO H24N H H 0.000 -10.294 0.564 -2.976
CNO C23 C CR6 0.000 -10.380 0.278 -0.903
CNO C19 C CR16 0.000 -11.576 -0.420 -0.830
CNO H19C H H 0.000 -12.018 -0.836 -1.727
CNO C22 C CR16 0.000 -9.812 0.802 0.252
CNO H22C H H 0.000 -8.876 1.344 0.197
CNO C21 C CR16 0.000 -10.439 0.631 1.470
CNO H21C H H 0.000 -9.994 1.040 2.369
CNO C20 C CR16 0.000 -11.633 -0.059 1.545
CNO H20C H H 0.000 -12.122 -0.189 2.502
CNO C18 C CR6 0.000 -12.206 -0.585 0.396
CNO N17 N NH1 0.000 -13.415 -1.283 0.473
CNO H17N H H 0.000 -13.590 -2.060 -0.149
CNO C15 C C 0.000 -14.348 -0.921 1.376
CNO O16 O O 0.000 -14.178 0.068 2.057
CNO C14 C CH2 0.000 -15.600 -1.743 1.539
CNO H141 H H 0.000 -15.331 -2.761 1.830
CNO H142 H H 0.000 -16.144 -1.769 0.593
CNO C13 C CR6 0.000 -16.470 -1.128 2.604
CNO C10 C CR16 0.000 -17.415 -0.180 2.260
CNO H10C H H 0.000 -17.529 0.119 1.225
CNO C9 C CR16 0.000 -18.215 0.386 3.234
CNO HC9 H H 0.000 -18.955 1.129 2.964
CNO C12 C CR16 0.000 -16.322 -1.512 3.923
CNO H12C H H 0.000 -15.583 -2.258 4.190
CNO C11 C CR16 0.000 -17.115 -0.945 4.902
CNO H11C H H 0.000 -16.993 -1.240 5.936
CNO C8 C CR6 0.000 -18.068 0.001 4.558
CNO O7 O O2 0.000 -18.854 0.556 5.519
CNO C4 C CT 0.000 -19.997 -0.289 5.657
CNO C6 C CH3 0.000 -19.555 -1.667 6.152
CNO HC63 H H 0.000 -20.394 -2.313 6.198
CNO HC62 H H 0.000 -18.837 -2.069 5.486
CNO HC61 H H 0.000 -19.128 -1.576 7.118
CNO C5 C CH3 0.000 -20.692 -0.433 4.302
CNO H53C H H 0.000 -20.021 -0.861 3.603
CNO HC52 H H 0.000 -21.541 -1.058 4.404
CNO HC51 H H 0.000 -20.997 0.522 3.958
CNO C1 C C 0.000 -20.955 0.317 6.649
CNO O2 O OC -0.500 -22.029 -0.265 6.921
CNO O3 O OC -0.500 -20.676 1.404 7.203
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
CNO O40 n/a C38 START
CNO C38 O40 C35 .
CNO O39 C38 . .
CNO C35 C38 O34 .
CNO C36 C35 H361 .
CNO H363 C36 . .
CNO H362 C36 . .
CNO H361 C36 . .
CNO C37 C35 H371 .
CNO H373 C37 . .
CNO H372 C37 . .
CNO H371 C37 . .
CNO O34 C35 C33 .
CNO C33 O34 C32 .
CNO C30 C33 C29 .
CNO H30C C30 . .
CNO C29 C30 H29C .
CNO H29C C29 . .
CNO C32 C33 C31 .
CNO H32C C32 . .
CNO C31 C32 C28 .
CNO H31C C31 . .
CNO C28 C31 C27 .
CNO C27 C28 C25 .
CNO H271 C27 . .
CNO H272 C27 . .
CNO C25 C27 N24 .
CNO O26 C25 . .
CNO N24 C25 C23 .
CNO H24N N24 . .
CNO C23 N24 C22 .
CNO C19 C23 H19C .
CNO H19C C19 . .
CNO C22 C23 C21 .
CNO H22C C22 . .
CNO C21 C22 C20 .
CNO H21C C21 . .
CNO C20 C21 C18 .
CNO H20C C20 . .
CNO C18 C20 N17 .
CNO N17 C18 C15 .
CNO H17N N17 . .
CNO C15 N17 C14 .
CNO O16 C15 . .
CNO C14 C15 C13 .
CNO H141 C14 . .
CNO H142 C14 . .
CNO C13 C14 C12 .
CNO C10 C13 C9 .
CNO H10C C10 . .
CNO C9 C10 HC9 .
CNO HC9 C9 . .
CNO C12 C13 C11 .
CNO H12C C12 . .
CNO C11 C12 C8 .
CNO H11C C11 . .
CNO C8 C11 O7 .
CNO O7 C8 C4 .
CNO C4 O7 C1 .
CNO C6 C4 HC61 .
CNO HC63 C6 . .
CNO HC62 C6 . .
CNO HC61 C6 . .
CNO C5 C4 HC51 .
CNO H53C C5 . .
CNO HC52 C5 . .
CNO HC51 C5 . .
CNO C1 C4 O3 .
CNO O2 C1 . .
CNO O3 C1 . END
CNO C8 C9 . ADD
CNO C18 C19 . ADD
CNO C28 C29 . 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
CNO O2 C1 deloc 1.250 0.020
CNO O3 C1 deloc 1.250 0.020
CNO C1 C4 single 1.507 0.020
CNO C5 C4 single 1.524 0.020
CNO C6 C4 single 1.524 0.020
CNO C4 O7 single 1.426 0.020
CNO HC51 C5 single 1.059 0.020
CNO HC52 C5 single 1.059 0.020
CNO H53C C5 single 1.059 0.020
CNO HC61 C6 single 1.059 0.020
CNO HC62 C6 single 1.059 0.020
CNO HC63 C6 single 1.059 0.020
CNO O7 C8 single 1.370 0.020
CNO C8 C9 double 1.390 0.020
CNO C8 C11 single 1.390 0.020
CNO C9 C10 single 1.390 0.020
CNO HC9 C9 single 1.083 0.020
CNO C10 C13 double 1.390 0.020
CNO H10C C10 single 1.083 0.020
CNO C11 C12 double 1.390 0.020
CNO H11C C11 single 1.083 0.020
CNO C12 C13 single 1.390 0.020
CNO H12C C12 single 1.083 0.020
CNO C13 C14 single 1.511 0.020
CNO C14 C15 single 1.510 0.020
CNO H141 C14 single 1.092 0.020
CNO H142 C14 single 1.092 0.020
CNO O16 C15 double 1.220 0.020
CNO C15 N17 single 1.330 0.020
CNO N17 C18 single 1.350 0.020
CNO H17N N17 single 1.010 0.020
CNO C18 C19 double 1.390 0.020
CNO C18 C20 single 1.390 0.020
CNO C19 C23 single 1.390 0.020
CNO H19C C19 single 1.083 0.020
CNO C20 C21 double 1.390 0.020
CNO H20C C20 single 1.083 0.020
CNO C21 C22 single 1.390 0.020
CNO H21C C21 single 1.083 0.020
CNO C22 C23 double 1.390 0.020
CNO H22C C22 single 1.083 0.020
CNO C23 N24 single 1.350 0.020
CNO N24 C25 single 1.330 0.020
CNO H24N N24 single 1.010 0.020
CNO O26 C25 double 1.220 0.020
CNO C25 C27 single 1.510 0.020
CNO C27 C28 single 1.511 0.020
CNO H271 C27 single 1.092 0.020
CNO H272 C27 single 1.092 0.020
CNO C28 C29 double 1.390 0.020
CNO C28 C31 single 1.390 0.020
CNO C29 C30 single 1.390 0.020
CNO H29C C29 single 1.083 0.020
CNO C30 C33 double 1.390 0.020
CNO H30C C30 single 1.083 0.020
CNO C31 C32 double 1.390 0.020
CNO H31C C31 single 1.083 0.020
CNO C32 C33 single 1.390 0.020
CNO H32C C32 single 1.083 0.020
CNO C33 O34 single 1.370 0.020
CNO O34 C35 single 1.426 0.020
CNO C36 C35 single 1.524 0.020
CNO C37 C35 single 1.524 0.020
CNO C35 C38 single 1.507 0.020
CNO H361 C36 single 1.059 0.020
CNO H362 C36 single 1.059 0.020
CNO H363 C36 single 1.059 0.020
CNO H371 C37 single 1.059 0.020
CNO H372 C37 single 1.059 0.020
CNO H373 C37 single 1.059 0.020
CNO O39 C38 deloc 1.250 0.020
CNO C38 O40 deloc 1.250 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
CNO O40 C38 O39 123.000 3.000
CNO O40 C38 C35 118.500 3.000
CNO O39 C38 C35 118.500 3.000
CNO C38 C35 C36 109.470 3.000
CNO C38 C35 C37 109.470 3.000
CNO C38 C35 O34 109.470 3.000
CNO C36 C35 C37 111.000 3.000
CNO C36 C35 O34 109.470 3.000
CNO C37 C35 O34 109.470 3.000
CNO C35 C36 H363 109.470 3.000
CNO C35 C36 H362 109.470 3.000
CNO C35 C36 H361 109.470 3.000
CNO H363 C36 H362 109.470 3.000
CNO H363 C36 H361 109.470 3.000
CNO H362 C36 H361 109.470 3.000
CNO C35 C37 H373 109.470 3.000
CNO C35 C37 H372 109.470 3.000
CNO C35 C37 H371 109.470 3.000
CNO H373 C37 H372 109.470 3.000
CNO H373 C37 H371 109.470 3.000
CNO H372 C37 H371 109.470 3.000
CNO C35 O34 C33 120.000 3.000
CNO O34 C33 C30 120.000 3.000
CNO O34 C33 C32 120.000 3.000
CNO C30 C33 C32 120.000 3.000
CNO C33 C30 H30C 120.000 3.000
CNO C33 C30 C29 120.000 3.000
CNO H30C C30 C29 120.000 3.000
CNO C30 C29 H29C 120.000 3.000
CNO C30 C29 C28 120.000 3.000
CNO H29C C29 C28 120.000 3.000
CNO C33 C32 H32C 120.000 3.000
CNO C33 C32 C31 120.000 3.000
CNO H32C C32 C31 120.000 3.000
CNO C32 C31 H31C 120.000 3.000
CNO C32 C31 C28 120.000 3.000
CNO H31C C31 C28 120.000 3.000
CNO C31 C28 C27 120.000 3.000
CNO C31 C28 C29 120.000 3.000
CNO C27 C28 C29 120.000 3.000
CNO C28 C27 H271 109.470 3.000
CNO C28 C27 H272 109.470 3.000
CNO C28 C27 C25 109.470 3.000
CNO H271 C27 H272 107.900 3.000
CNO H271 C27 C25 109.470 3.000
CNO H272 C27 C25 109.470 3.000
CNO C27 C25 O26 120.500 3.000
CNO C27 C25 N24 116.500 3.000
CNO O26 C25 N24 123.000 3.000
CNO C25 N24 H24N 120.000 3.000
CNO C25 N24 C23 120.000 3.000
CNO H24N N24 C23 120.000 3.000
CNO N24 C23 C19 120.000 3.000
CNO N24 C23 C22 120.000 3.000
CNO C19 C23 C22 120.000 3.000
CNO C23 C19 H19C 120.000 3.000
CNO C23 C19 C18 120.000 3.000
CNO H19C C19 C18 120.000 3.000
CNO C23 C22 H22C 120.000 3.000
CNO C23 C22 C21 120.000 3.000
CNO H22C C22 C21 120.000 3.000
CNO C22 C21 H21C 120.000 3.000
CNO C22 C21 C20 120.000 3.000
CNO H21C C21 C20 120.000 3.000
CNO C21 C20 H20C 120.000 3.000
CNO C21 C20 C18 120.000 3.000
CNO H20C C20 C18 120.000 3.000
CNO C20 C18 N17 120.000 3.000
CNO C20 C18 C19 120.000 3.000
CNO N17 C18 C19 120.000 3.000
CNO C18 N17 H17N 120.000 3.000
CNO C18 N17 C15 120.000 3.000
CNO H17N N17 C15 120.000 3.000
CNO N17 C15 O16 123.000 3.000
CNO N17 C15 C14 116.500 3.000
CNO O16 C15 C14 120.500 3.000
CNO C15 C14 H141 109.470 3.000
CNO C15 C14 H142 109.470 3.000
CNO C15 C14 C13 109.470 3.000
CNO H141 C14 H142 107.900 3.000
CNO H141 C14 C13 109.470 3.000
CNO H142 C14 C13 109.470 3.000
CNO C14 C13 C10 120.000 3.000
CNO C14 C13 C12 120.000 3.000
CNO C10 C13 C12 120.000 3.000
CNO C13 C10 H10C 120.000 3.000
CNO C13 C10 C9 120.000 3.000
CNO H10C C10 C9 120.000 3.000
CNO C10 C9 HC9 120.000 3.000
CNO C10 C9 C8 120.000 3.000
CNO HC9 C9 C8 120.000 3.000
CNO C13 C12 H12C 120.000 3.000
CNO C13 C12 C11 120.000 3.000
CNO H12C C12 C11 120.000 3.000
CNO C12 C11 H11C 120.000 3.000
CNO C12 C11 C8 120.000 3.000
CNO H11C C11 C8 120.000 3.000
CNO C11 C8 O7 120.000 3.000
CNO C11 C8 C9 120.000 3.000
CNO O7 C8 C9 120.000 3.000
CNO C8 O7 C4 120.000 3.000
CNO O7 C4 C6 109.470 3.000
CNO O7 C4 C5 109.470 3.000
CNO O7 C4 C1 109.470 3.000
CNO C6 C4 C5 111.000 3.000
CNO C6 C4 C1 109.470 3.000
CNO C5 C4 C1 109.470 3.000
CNO C4 C6 HC63 109.470 3.000
CNO C4 C6 HC62 109.470 3.000
CNO C4 C6 HC61 109.470 3.000
CNO HC63 C6 HC62 109.470 3.000
CNO HC63 C6 HC61 109.470 3.000
CNO HC62 C6 HC61 109.470 3.000
CNO C4 C5 H53C 109.470 3.000
CNO C4 C5 HC52 109.470 3.000
CNO C4 C5 HC51 109.470 3.000
CNO H53C C5 HC52 109.470 3.000
CNO H53C C5 HC51 109.470 3.000
CNO HC52 C5 HC51 109.470 3.000
CNO C4 C1 O2 118.500 3.000
CNO C4 C1 O3 118.500 3.000
CNO O2 C1 O3 123.000 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
CNO var_1 O40 C38 C35 O34 -179.953 20.000 1
CNO var_2 C38 C35 C36 H361 65.970 20.000 1
CNO var_3 C38 C35 C37 H371 -66.791 20.000 1
CNO var_4 C38 C35 O34 C33 -174.771 20.000 1
CNO var_5 C35 O34 C33 C32 92.797 20.000 1
CNO CONST_1 O34 C33 C30 C29 180.000 0.000 0
CNO CONST_2 C33 C30 C29 C28 0.000 0.000 0
CNO CONST_3 O34 C33 C32 C31 180.000 0.000 0
CNO CONST_4 C33 C32 C31 C28 0.000 0.000 0
CNO CONST_5 C32 C31 C28 C27 180.000 0.000 0
CNO CONST_6 C31 C28 C29 C30 0.000 0.000 0
CNO var_6 C31 C28 C27 C25 -90.227 20.000 2
CNO var_7 C28 C27 C25 N24 179.982 20.000 3
CNO CONST_7 C27 C25 N24 C23 180.000 0.000 0
CNO var_8 C25 N24 C23 C22 34.034 20.000 1
CNO CONST_8 N24 C23 C19 C18 180.000 0.000 0
CNO CONST_9 N24 C23 C22 C21 180.000 0.000 0
CNO CONST_10 C23 C22 C21 C20 0.000 0.000 0
CNO CONST_11 C22 C21 C20 C18 0.000 0.000 0
CNO CONST_12 C21 C20 C18 N17 180.000 0.000 0
CNO CONST_13 C20 C18 C19 C23 0.000 0.000 0
CNO var_9 C20 C18 N17 C15 33.911 20.000 1
CNO CONST_14 C18 N17 C15 C14 180.000 0.000 0
CNO var_10 N17 C15 C14 C13 179.988 20.000 3
CNO var_11 C15 C14 C13 C12 -89.995 20.000 2
CNO CONST_15 C14 C13 C10 C9 180.000 0.000 0
CNO CONST_16 C13 C10 C9 C8 0.000 0.000 0
CNO CONST_17 C14 C13 C12 C11 180.000 0.000 0
CNO CONST_18 C13 C12 C11 C8 0.000 0.000 0
CNO CONST_19 C12 C11 C8 O7 180.000 0.000 0
CNO CONST_20 C11 C8 C9 C10 0.000 0.000 0
CNO var_12 C11 C8 O7 C4 -88.432 20.000 1
CNO var_13 C8 O7 C4 C1 -176.465 20.000 1
CNO var_14 O7 C4 C6 HC61 63.506 20.000 1
CNO var_15 O7 C4 C5 HC51 -59.900 20.000 1
CNO var_16 O7 C4 C1 O3 -0.032 20.000 1
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
CNO chir_01 C4 C1 C5 C6 positiv
CNO chir_02 C35 O34 C36 C37 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
CNO plan-1 C1 0.020
CNO plan-1 O2 0.020
CNO plan-1 O3 0.020
CNO plan-1 C4 0.020
CNO plan-2 C8 0.020
CNO plan-2 O7 0.020
CNO plan-2 C9 0.020
CNO plan-2 C11 0.020
CNO plan-2 C10 0.020
CNO plan-2 C12 0.020
CNO plan-2 C13 0.020
CNO plan-2 HC9 0.020
CNO plan-2 H10C 0.020
CNO plan-2 H11C 0.020
CNO plan-2 H12C 0.020
CNO plan-2 C14 0.020
CNO plan-3 C15 0.020
CNO plan-3 C14 0.020
CNO plan-3 O16 0.020
CNO plan-3 N17 0.020
CNO plan-3 H17N 0.020
CNO plan-4 N17 0.020
CNO plan-4 C15 0.020
CNO plan-4 C18 0.020
CNO plan-4 H17N 0.020
CNO plan-5 C18 0.020
CNO plan-5 N17 0.020
CNO plan-5 C19 0.020
CNO plan-5 C20 0.020
CNO plan-5 C21 0.020
CNO plan-5 C22 0.020
CNO plan-5 C23 0.020
CNO plan-5 H19C 0.020
CNO plan-5 H20C 0.020
CNO plan-5 H21C 0.020
CNO plan-5 H22C 0.020
CNO plan-5 N24 0.020
CNO plan-5 H17N 0.020
CNO plan-5 H24N 0.020
CNO plan-6 N24 0.020
CNO plan-6 C23 0.020
CNO plan-6 C25 0.020
CNO plan-6 H24N 0.020
CNO plan-7 C25 0.020
CNO plan-7 N24 0.020
CNO plan-7 O26 0.020
CNO plan-7 C27 0.020
CNO plan-7 H24N 0.020
CNO plan-8 C28 0.020
CNO plan-8 C27 0.020
CNO plan-8 C29 0.020
CNO plan-8 C31 0.020
CNO plan-8 C30 0.020
CNO plan-8 C32 0.020
CNO plan-8 C33 0.020
CNO plan-8 H29C 0.020
CNO plan-8 H30C 0.020
CNO plan-8 H31C 0.020
CNO plan-8 H32C 0.020
CNO plan-8 O34 0.020
CNO plan-9 C38 0.020
CNO plan-9 C35 0.020
CNO plan-9 O39 0.020
CNO plan-9 O40 0.020
# ------------------------------------------------------
|
