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- ; Stick colour
- 2(0.700000, 0.700000, 0.700000)
- ; Model
- BS
- ; Definitions
- C = 28.727289, 11.490916(0.500000, 0.500000, 0.500000)
- H = 17.236374, 6.894549(1.000000, 1.000000, 1.000000)
- N = 28.727289, 11.490916(0.000000, 0.000000, 1.000000)
- O = 26.812137, 11.107885(1.000000, 0.000000, 0.000000)
- ; Instances
- N201 : 174.885799 -1.405145 -82.087716
- C202 : 158.834886 5.132106 -60.105032
- C203 : 131.208315 8.711041 -68.157723
- O204 : 126.841381 24.659315 -85.323561
- C205 : 166.599978 31.313926 -49.098443
- H206 : 171.746101 9.714972 -98.063722
- H207 : 163.104731 -9.003107 -45.703922
- N208 : 114.801334 -3.495131 -53.866341
- C209 : 87.629940 0.539495 -58.938586
- C210 : 70.497781 -1.422650 -35.637715
- O211 : 73.678627 -21.247131 -22.985221
- C212 : 79.971609 -18.592126 -79.738447
- H213 : 121.129214 -14.878748 -39.814560
- H214 : 86.284367 19.273253 -67.428795
- N215 : 52.962276 16.944094 -31.655700
- C216 : 34.395971 16.263409 -11.380357
- C217 : 6.965949 8.473209 -19.271940
- O218 : -5.677504 17.642720 -38.308307
- C219 : 31.892026 42.405832 1.679019
- H220 : 51.874525 31.489380 -44.438472
- H221 : 40.335800 4.077275 4.085857
- N222 : -3.501182 -8.904485 -4.625553
- C223 : -29.521854 -18.602792 -5.600702
- C224 : -44.362570 -6.037782 17.127276
- O225 : -32.772512 -1.063974 38.419689
- C226 : -35.365072 -47.600254 -4.298817
- H227 : 6.211033 -16.360254 10.874678
- H228 : -39.299005 -13.983599 -23.169765
- N229 : -68.381590 0.842203 11.569032
- C230 : -85.913590 14.366162 28.675578
- C231 : -110.835614 -2.426939 29.939326
- O232 : -125.297164 -9.735940 11.919856
- C233 : -90.944367 42.628813 22.210681
- H234 : -74.844025 -3.054444 -6.244488
- H235 : -76.641250 13.908678 47.124161
- N236 : -114.937784 -9.458646 53.650019
- C237 : -135.640914 -26.009336 63.688386
- C238 : -158.055629 -11.743807 76.032309
- O239 : -166.101540 -14.467825 98.370400
- C240 : -125.634192 -44.894557 83.806971
- H241 : -103.223478 -4.197851 68.040137
- H242 : -143.049142 -37.870660 48.698176
- N243 : -168.865800 4.671987 61.151030
- ; Bonds
- N201, C202
- C202, C203
- C203, O204
- C202, H207
- C202, C205
- N201, H206
- C203, N208
- N208, C209
- C209, C210
- C210, O211
- C209, H214
- C209, C212
- N208, H213
- C210, N215
- N215, C216
- C216, C217
- C217, O218
- C216, H221
- C216, C219
- N215, H220
- C217, N222
- N222, C223
- C223, C224
- C224, O225
- C223, H228
- C223, C226
- N222, H227
- C224, N229
- N229, C230
- C230, C231
- C231, O232
- C230, H235
- C230, C233
- N229, H234
- C231, N236
- N236, C237
- C237, C238
- C238, O239
- C237, H242
- C237, C240
- N236, H241
- C238, N243
-