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
|
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
PI3 PI3 '"11-[1-HYDROXY-2-(3-METHYL-BUTYLAMIN' non-polymer 70 31 .
# ------------------------------------------------------
# ------------------------------------------------------
#
# --- DESCRIPTION OF MONOMERS ---
#
data_comp_PI3
#
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
PI3 O8 O O 0.000 0.000 0.000 0.000
PI3 C7 C C 0.000 -0.934 -0.601 -0.485
PI3 C6 C CH1 0.000 -0.685 -1.792 -1.375
PI3 H6 H H 0.000 -1.549 -2.469 -1.336
PI3 C9 C CH1 0.000 0.569 -2.532 -0.906
PI3 H9 H H 0.000 1.416 -1.833 -0.870
PI3 C11 C CH3 0.000 0.885 -3.667 -1.882
PI3 H113 H H 0.000 1.144 -3.261 -2.826
PI3 H112 H H 0.000 1.696 -4.238 -1.510
PI3 H111 H H 0.000 0.035 -4.290 -1.988
PI3 C10 C CH3 0.000 0.326 -3.113 0.488
PI3 H103 H H 0.000 0.106 -2.328 1.165
PI3 H102 H H 0.000 -0.490 -3.787 0.454
PI3 H101 H H 0.000 1.193 -3.627 0.814
PI3 N5 N NH1 0.000 -0.490 -1.316 -2.761
PI3 HN5 H H 0.000 0.147 -0.565 -2.985
PI3 C2 C C 0.000 -1.221 -1.953 -3.719
PI3 C4 C CH2 0.000 -1.077 -1.521 -5.155
PI3 H42 H H 0.000 -0.691 -2.353 -5.748
PI3 H41 H H 0.000 -0.382 -0.681 -5.214
PI3 O3 O O 0.000 -1.976 -2.854 -3.420
PI3 N12 N NH1 0.000 -2.196 -0.205 -0.226
PI3 H12 H H 0.000 -2.973 -0.708 -0.630
PI3 C13 C CH1 0.000 -2.447 0.952 0.638
PI3 H13 H H 0.000 -1.535 1.562 0.708
PI3 C23 C CH1 0.000 -2.847 0.470 2.033
PI3 H23 H H 0.000 -3.758 -0.141 1.961
PI3 C25 C CH2 0.000 -1.716 -0.371 2.626
PI3 H251 H H 0.000 -0.811 0.235 2.695
PI3 H252 H H 0.000 -1.527 -1.233 1.982
PI3 N26 N NH1 0.000 -2.100 -0.834 3.966
PI3 H26 H H 0.000 -2.969 -0.642 4.444
PI3 C27 C CH2 0.000 -0.977 -1.631 4.477
PI3 H271 H H 0.000 -0.081 -1.008 4.523
PI3 H272 H H 0.000 -0.798 -2.476 3.809
PI3 C28 C CH2 0.000 -1.312 -2.147 5.877
PI3 H281 H H 0.000 -2.208 -2.769 5.830
PI3 H282 H H 0.000 -1.493 -1.301 6.543
PI3 C29 C CH1 0.000 -0.142 -2.976 6.410
PI3 H29 H H 0.000 0.760 -2.350 6.457
PI3 C31 C CH3 0.000 0.109 -4.162 5.475
PI3 H313 H H 0.000 0.342 -3.805 4.505
PI3 H312 H H 0.000 0.919 -4.737 5.842
PI3 H311 H H 0.000 -0.760 -4.766 5.429
PI3 C30 C CH3 0.000 -0.477 -3.492 7.810
PI3 H303 H H 0.000 -0.652 -2.672 8.458
PI3 H302 H H 0.000 -1.346 -4.097 7.766
PI3 H301 H H 0.000 0.332 -4.067 8.180
PI3 O24 O OH1 0.000 -3.095 1.597 2.874
PI3 H24 H H 0.000 -2.293 2.134 2.936
PI3 C14 C CH2 0.000 -3.580 1.791 0.042
PI3 H141 H H 0.000 -3.401 2.848 0.246
PI3 H142 H H 0.000 -4.531 1.492 0.487
PI3 C15 C CR6 0.000 -3.629 1.567 -1.448
PI3 C18 C CR16 0.000 -4.659 0.830 -2.002
PI3 H18 H H 0.000 -5.433 0.419 -1.366
PI3 C19 C CR16 0.000 -4.702 0.617 -3.367
PI3 H19 H H 0.000 -5.510 0.041 -3.801
PI3 C20 C CR6 0.000 -3.709 1.144 -4.181
PI3 C17 C CR16 0.000 -2.679 1.886 -3.622
PI3 H17 H H 0.000 -1.905 2.301 -4.256
PI3 C16 C CR16 0.000 -2.642 2.096 -2.258
PI3 H16 H H 0.000 -1.838 2.676 -1.822
PI3 O21 O O2 0.000 -3.745 0.932 -5.522
PI3 C22 C CH2 0.000 -2.464 0.421 -5.894
PI3 H221 H H 0.000 -1.695 0.881 -5.270
PI3 H222 H H 0.000 -2.270 0.658 -6.942
PI3 C1 C CH2 0.000 -2.442 -1.095 -5.699
PI3 H12A H H 0.000 -2.623 -1.586 -6.657
PI3 H11 H H 0.000 -3.223 -1.381 -4.991
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
PI3 O8 n/a C7 START
PI3 C7 O8 N12 .
PI3 C6 C7 N5 .
PI3 H6 C6 . .
PI3 C9 C6 C10 .
PI3 H9 C9 . .
PI3 C11 C9 H111 .
PI3 H113 C11 . .
PI3 H112 C11 . .
PI3 H111 C11 . .
PI3 C10 C9 H101 .
PI3 H103 C10 . .
PI3 H102 C10 . .
PI3 H101 C10 . .
PI3 N5 C6 C2 .
PI3 HN5 N5 . .
PI3 C2 N5 O3 .
PI3 C4 C2 H41 .
PI3 H42 C4 . .
PI3 H41 C4 . .
PI3 O3 C2 . .
PI3 N12 C7 C13 .
PI3 H12 N12 . .
PI3 C13 N12 C14 .
PI3 H13 C13 . .
PI3 C23 C13 O24 .
PI3 H23 C23 . .
PI3 C25 C23 N26 .
PI3 H251 C25 . .
PI3 H252 C25 . .
PI3 N26 C25 C27 .
PI3 H26 N26 . .
PI3 C27 N26 C28 .
PI3 H271 C27 . .
PI3 H272 C27 . .
PI3 C28 C27 C29 .
PI3 H281 C28 . .
PI3 H282 C28 . .
PI3 C29 C28 C30 .
PI3 H29 C29 . .
PI3 C31 C29 H311 .
PI3 H313 C31 . .
PI3 H312 C31 . .
PI3 H311 C31 . .
PI3 C30 C29 H301 .
PI3 H303 C30 . .
PI3 H302 C30 . .
PI3 H301 C30 . .
PI3 O24 C23 H24 .
PI3 H24 O24 . .
PI3 C14 C13 C15 .
PI3 H141 C14 . .
PI3 H142 C14 . .
PI3 C15 C14 C18 .
PI3 C18 C15 C19 .
PI3 H18 C18 . .
PI3 C19 C18 C20 .
PI3 H19 C19 . .
PI3 C20 C19 O21 .
PI3 C17 C20 C16 .
PI3 H17 C17 . .
PI3 C16 C17 H16 .
PI3 H16 C16 . .
PI3 O21 C20 C22 .
PI3 C22 O21 C1 .
PI3 H221 C22 . .
PI3 H222 C22 . .
PI3 C1 C22 H11 .
PI3 H12A C1 . .
PI3 H11 C1 . END
PI3 C1 C4 . ADD
PI3 C15 C16 . 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
PI3 C1 C4 single 1.524 0.020
PI3 C1 C22 single 1.524 0.020
PI3 H11 C1 single 1.092 0.020
PI3 H12A C1 single 1.092 0.020
PI3 O3 C2 double 1.220 0.020
PI3 C4 C2 single 1.510 0.020
PI3 C2 N5 single 1.330 0.020
PI3 H41 C4 single 1.092 0.020
PI3 H42 C4 single 1.092 0.020
PI3 N5 C6 single 1.450 0.020
PI3 HN5 N5 single 1.010 0.020
PI3 C6 C7 single 1.500 0.020
PI3 C9 C6 single 1.524 0.020
PI3 H6 C6 single 1.099 0.020
PI3 C7 O8 double 1.220 0.020
PI3 N12 C7 single 1.330 0.020
PI3 C10 C9 single 1.524 0.020
PI3 C11 C9 single 1.524 0.020
PI3 H9 C9 single 1.099 0.020
PI3 H101 C10 single 1.059 0.020
PI3 H102 C10 single 1.059 0.020
PI3 H103 C10 single 1.059 0.020
PI3 H111 C11 single 1.059 0.020
PI3 H112 C11 single 1.059 0.020
PI3 H113 C11 single 1.059 0.020
PI3 C13 N12 single 1.450 0.020
PI3 H12 N12 single 1.010 0.020
PI3 C14 C13 single 1.524 0.020
PI3 C23 C13 single 1.524 0.020
PI3 H13 C13 single 1.099 0.020
PI3 C15 C14 single 1.511 0.020
PI3 H141 C14 single 1.092 0.020
PI3 H142 C14 single 1.092 0.020
PI3 C15 C16 single 1.390 0.020
PI3 C18 C15 double 1.390 0.020
PI3 C16 C17 double 1.390 0.020
PI3 H16 C16 single 1.083 0.020
PI3 C17 C20 single 1.390 0.020
PI3 H17 C17 single 1.083 0.020
PI3 C19 C18 single 1.390 0.020
PI3 H18 C18 single 1.083 0.020
PI3 C20 C19 double 1.390 0.020
PI3 H19 C19 single 1.083 0.020
PI3 O21 C20 single 1.370 0.020
PI3 C22 O21 single 1.426 0.020
PI3 H221 C22 single 1.092 0.020
PI3 H222 C22 single 1.092 0.020
PI3 O24 C23 single 1.432 0.020
PI3 C25 C23 single 1.524 0.020
PI3 H23 C23 single 1.099 0.020
PI3 H24 O24 single 0.967 0.020
PI3 N26 C25 single 1.450 0.020
PI3 H251 C25 single 1.092 0.020
PI3 H252 C25 single 1.092 0.020
PI3 C27 N26 single 1.450 0.020
PI3 H26 N26 single 1.010 0.020
PI3 C28 C27 single 1.524 0.020
PI3 H271 C27 single 1.092 0.020
PI3 H272 C27 single 1.092 0.020
PI3 C29 C28 single 1.524 0.020
PI3 H281 C28 single 1.092 0.020
PI3 H282 C28 single 1.092 0.020
PI3 C30 C29 single 1.524 0.020
PI3 C31 C29 single 1.524 0.020
PI3 H29 C29 single 1.099 0.020
PI3 H301 C30 single 1.059 0.020
PI3 H302 C30 single 1.059 0.020
PI3 H303 C30 single 1.059 0.020
PI3 H311 C31 single 1.059 0.020
PI3 H312 C31 single 1.059 0.020
PI3 H313 C31 single 1.059 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
PI3 O8 C7 C6 120.500 3.000
PI3 O8 C7 N12 123.000 3.000
PI3 C6 C7 N12 116.500 3.000
PI3 C7 C6 H6 108.810 3.000
PI3 C7 C6 C9 109.470 3.000
PI3 C7 C6 N5 111.600 3.000
PI3 H6 C6 C9 108.340 3.000
PI3 H6 C6 N5 108.550 3.000
PI3 C9 C6 N5 110.000 3.000
PI3 C6 C9 H9 108.340 3.000
PI3 C6 C9 C11 111.000 3.000
PI3 C6 C9 C10 111.000 3.000
PI3 H9 C9 C11 108.340 3.000
PI3 H9 C9 C10 108.340 3.000
PI3 C11 C9 C10 111.000 3.000
PI3 C9 C11 H113 109.470 3.000
PI3 C9 C11 H112 109.470 3.000
PI3 C9 C11 H111 109.470 3.000
PI3 H113 C11 H112 109.470 3.000
PI3 H113 C11 H111 109.470 3.000
PI3 H112 C11 H111 109.470 3.000
PI3 C9 C10 H103 109.470 3.000
PI3 C9 C10 H102 109.470 3.000
PI3 C9 C10 H101 109.470 3.000
PI3 H103 C10 H102 109.470 3.000
PI3 H103 C10 H101 109.470 3.000
PI3 H102 C10 H101 109.470 3.000
PI3 C6 N5 HN5 118.500 3.000
PI3 C6 N5 C2 121.500 3.000
PI3 HN5 N5 C2 120.000 3.000
PI3 N5 C2 C4 116.500 3.000
PI3 N5 C2 O3 123.000 3.000
PI3 C4 C2 O3 120.500 3.000
PI3 C2 C4 H42 109.470 3.000
PI3 C2 C4 H41 109.470 3.000
PI3 C2 C4 C1 109.470 3.000
PI3 H42 C4 H41 107.900 3.000
PI3 H42 C4 C1 109.470 3.000
PI3 H41 C4 C1 109.470 3.000
PI3 C7 N12 H12 120.000 3.000
PI3 C7 N12 C13 121.500 3.000
PI3 H12 N12 C13 118.500 3.000
PI3 N12 C13 H13 108.550 3.000
PI3 N12 C13 C23 110.000 3.000
PI3 N12 C13 C14 110.000 3.000
PI3 H13 C13 C23 108.340 3.000
PI3 H13 C13 C14 108.340 3.000
PI3 C23 C13 C14 111.000 3.000
PI3 C13 C23 H23 108.340 3.000
PI3 C13 C23 C25 111.000 3.000
PI3 C13 C23 O24 109.470 3.000
PI3 H23 C23 C25 108.340 3.000
PI3 H23 C23 O24 109.470 3.000
PI3 C25 C23 O24 109.470 3.000
PI3 C23 C25 H251 109.470 3.000
PI3 C23 C25 H252 109.470 3.000
PI3 C23 C25 N26 110.000 3.000
PI3 H251 C25 H252 107.900 3.000
PI3 H251 C25 N26 109.470 3.000
PI3 H252 C25 N26 109.470 3.000
PI3 C25 N26 H26 118.500 3.000
PI3 C25 N26 C27 120.000 3.000
PI3 H26 N26 C27 118.500 3.000
PI3 N26 C27 H271 109.470 3.000
PI3 N26 C27 H272 109.470 3.000
PI3 N26 C27 C28 112.000 3.000
PI3 H271 C27 H272 107.900 3.000
PI3 H271 C27 C28 109.470 3.000
PI3 H272 C27 C28 109.470 3.000
PI3 C27 C28 H281 109.470 3.000
PI3 C27 C28 H282 109.470 3.000
PI3 C27 C28 C29 111.000 3.000
PI3 H281 C28 H282 107.900 3.000
PI3 H281 C28 C29 109.470 3.000
PI3 H282 C28 C29 109.470 3.000
PI3 C28 C29 H29 108.340 3.000
PI3 C28 C29 C31 111.000 3.000
PI3 C28 C29 C30 111.000 3.000
PI3 H29 C29 C31 108.340 3.000
PI3 H29 C29 C30 108.340 3.000
PI3 C31 C29 C30 111.000 3.000
PI3 C29 C31 H313 109.470 3.000
PI3 C29 C31 H312 109.470 3.000
PI3 C29 C31 H311 109.470 3.000
PI3 H313 C31 H312 109.470 3.000
PI3 H313 C31 H311 109.470 3.000
PI3 H312 C31 H311 109.470 3.000
PI3 C29 C30 H303 109.470 3.000
PI3 C29 C30 H302 109.470 3.000
PI3 C29 C30 H301 109.470 3.000
PI3 H303 C30 H302 109.470 3.000
PI3 H303 C30 H301 109.470 3.000
PI3 H302 C30 H301 109.470 3.000
PI3 C23 O24 H24 109.470 3.000
PI3 C13 C14 H141 109.470 3.000
PI3 C13 C14 H142 109.470 3.000
PI3 C13 C14 C15 109.470 3.000
PI3 H141 C14 H142 107.900 3.000
PI3 H141 C14 C15 109.470 3.000
PI3 H142 C14 C15 109.470 3.000
PI3 C14 C15 C18 120.000 3.000
PI3 C14 C15 C16 120.000 3.000
PI3 C18 C15 C16 120.000 3.000
PI3 C15 C18 H18 120.000 3.000
PI3 C15 C18 C19 120.000 3.000
PI3 H18 C18 C19 120.000 3.000
PI3 C18 C19 H19 120.000 3.000
PI3 C18 C19 C20 120.000 3.000
PI3 H19 C19 C20 120.000 3.000
PI3 C19 C20 C17 120.000 3.000
PI3 C19 C20 O21 120.000 3.000
PI3 C17 C20 O21 120.000 3.000
PI3 C20 C17 H17 120.000 3.000
PI3 C20 C17 C16 120.000 3.000
PI3 H17 C17 C16 120.000 3.000
PI3 C17 C16 H16 120.000 3.000
PI3 C17 C16 C15 120.000 3.000
PI3 H16 C16 C15 120.000 3.000
PI3 C20 O21 C22 120.000 3.000
PI3 O21 C22 H221 109.470 3.000
PI3 O21 C22 H222 109.470 3.000
PI3 O21 C22 C1 109.470 3.000
PI3 H221 C22 H222 107.900 3.000
PI3 H221 C22 C1 109.470 3.000
PI3 H222 C22 C1 109.470 3.000
PI3 C22 C1 H12A 109.470 3.000
PI3 C22 C1 H11 109.470 3.000
PI3 C22 C1 C4 111.000 3.000
PI3 H12A C1 H11 107.900 3.000
PI3 H12A C1 C4 109.470 3.000
PI3 H11 C1 C4 109.470 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
PI3 var_1 O8 C7 C6 N5 -86.710 20.000 3
PI3 var_2 C7 C6 C9 C10 64.849 20.000 3
PI3 var_3 C6 C9 C11 H111 -54.596 20.000 3
PI3 var_4 C6 C9 C10 H101 179.983 20.000 3
PI3 var_5 C7 C6 N5 C2 -130.653 20.000 3
PI3 CONST_1 C6 N5 C2 O3 0.000 0.000 0
PI3 var_6 N5 C2 C4 C1 -121.954 20.000 3
PI3 CONST_2 O8 C7 N12 C13 0.000 0.000 0
PI3 var_7 C7 N12 C13 C14 138.811 20.000 3
PI3 var_8 N12 C13 C23 O24 -179.870 20.000 3
PI3 var_9 C13 C23 C25 N26 179.980 20.000 3
PI3 var_10 C23 C25 N26 C27 -179.999 20.000 3
PI3 var_11 C25 N26 C27 C28 -179.972 20.000 3
PI3 var_12 N26 C27 C28 C29 -179.972 20.000 3
PI3 var_13 C27 C28 C29 C30 179.980 20.000 3
PI3 var_14 C28 C29 C31 H311 -59.999 20.000 3
PI3 var_15 C28 C29 C30 H301 179.992 20.000 3
PI3 var_16 C13 C23 O24 H24 -60.033 20.000 1
PI3 var_17 N12 C13 C14 C15 -25.904 20.000 3
PI3 var_18 C13 C14 C15 C18 107.955 20.000 2
PI3 CONST_3 C14 C15 C16 C17 180.000 0.000 0
PI3 CONST_4 C14 C15 C18 C19 180.000 0.000 0
PI3 CONST_5 C15 C18 C19 C20 0.000 0.000 0
PI3 CONST_6 C18 C19 C20 O21 180.000 0.000 0
PI3 CONST_7 C19 C20 C17 C16 0.000 0.000 0
PI3 CONST_8 C20 C17 C16 C15 0.000 0.000 0
PI3 var_19 C19 C20 O21 C22 -128.341 20.000 1
PI3 var_20 C20 O21 C22 C1 85.625 20.000 1
PI3 var_21 O21 C22 C1 C4 -141.518 20.000 3
PI3 var_22 C22 C1 C4 C2 109.257 20.000 3
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
PI3 chir_01 C6 N5 C7 C9 positiv
PI3 chir_02 C9 C6 C10 C11 negativ
PI3 chir_03 C13 N12 C14 C23 negativ
PI3 chir_04 C23 C13 O24 C25 positiv
PI3 chir_05 C29 C28 C30 C31 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
PI3 plan-1 C2 0.020
PI3 plan-1 O3 0.020
PI3 plan-1 C4 0.020
PI3 plan-1 N5 0.020
PI3 plan-1 HN5 0.020
PI3 plan-2 N5 0.020
PI3 plan-2 C2 0.020
PI3 plan-2 C6 0.020
PI3 plan-2 HN5 0.020
PI3 plan-3 C7 0.020
PI3 plan-3 C6 0.020
PI3 plan-3 O8 0.020
PI3 plan-3 N12 0.020
PI3 plan-3 H12 0.020
PI3 plan-4 N12 0.020
PI3 plan-4 C7 0.020
PI3 plan-4 C13 0.020
PI3 plan-4 H12 0.020
PI3 plan-5 C15 0.020
PI3 plan-5 C14 0.020
PI3 plan-5 C16 0.020
PI3 plan-5 C18 0.020
PI3 plan-5 C17 0.020
PI3 plan-5 C19 0.020
PI3 plan-5 C20 0.020
PI3 plan-5 H16 0.020
PI3 plan-5 H17 0.020
PI3 plan-5 H18 0.020
PI3 plan-5 H19 0.020
PI3 plan-5 O21 0.020
PI3 plan-6 N26 0.020
PI3 plan-6 C25 0.020
PI3 plan-6 C27 0.020
PI3 plan-6 H26 0.020
# ------------------------------------------------------
|
