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La Vague Interactive 1
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macmolecule 1.5
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cb3717(anti-cancer drug)-b&s.
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Text File
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1991-05-01
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2KB
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83 lines
; Stick colour
2(0.700000, 0.700000, 0.700000)
; Model
BS
; Definitions
C = 41.768382, 16.707353(0.500000, 0.500000, 0.500000)
N = 41.768382, 16.707353(0.000000, 0.000000, 1.000000)
O = 38.983824, 15.593529(1.000000, 0.000000, 0.000000)
; Instances
N4321 : 45.708225 156.829524 30.746574
C4322 : 19.819284 149.941766 55.023923
N4323 : -4.702790 180.792511 66.790392
N4324 : 15.885008 115.092264 68.351227
C4325 : 36.871630 86.982961 59.538471
O4326 : 31.788287 55.343457 73.093709
C4327 : 58.310220 92.205978 29.705068
C4328 : 74.587786 61.723668 13.325059
C4329 : 97.245109 67.899242 -16.873726
C4330 : 105.935401 106.113625 -28.235402
C4331 : 91.559660 134.759059 -10.062933
C4332 : 66.607305 128.084115 18.578654
C4333 : 116.895538 37.447960 -37.278161
N4334 : 102.894034 -2.377458 -36.408794
C4335 : 125.738066 -29.803376 -16.165719
C4336 : 113.921015 -27.580736 25.220677
C4337 : 106.253667 -25.910169 56.848066
C4338 : 62.560157 -7.613476 -41.001136
C4339 : 41.750100 18.599769 -60.078725
C4340 : 3.183142 13.750863 -63.977553
C4341 : -13.041701 -17.023502 -48.795340
C4342 : 6.547702 -43.610593 -28.677685
C4343 : 45.149347 -38.343397 -25.181218
C4344 : -55.535299 -21.439047 -56.120264
O4345 : -76.411333 -1.042041 -73.826974
N4346 : -67.412741 -56.106748 -53.729594
C4347 : -96.860229 -82.673890 -56.542101
C4348 : -120.255333 -76.776695 -92.873628
O4349 : -142.737653 -48.723209 -91.913712
O4350 : -111.790261 -102.964728 -116.273726
C4351 : -125.144137 -89.730188 -23.785789
C4352 : -110.453527 -124.117209 -3.789459
C4353 : -82.895610 -102.567873 27.999426
O4354 : -55.715131 -129.849234 27.576616
O4355 : -97.604561 -69.134245 42.849948
; Bonds
N4321, C4322
N4321, C4332
C4322, N4324
C4322, N4323
N4324, C4325
C4325, O4326
C4325, C4327
C4327, C4328
C4327, C4332
C4328, C4329
C4329, C4330
C4329, C4333
C4330, C4331
C4331, C4332
C4333, N4334
N4334, C4335
N4334, C4338
C4335, C4336
C4336, C4337
C4338, C4339
C4339, C4340
C4340, C4341
C4341, C4342
C4341, C4344
C4342, C4343
C4343, C4338
C4344, O4345
C4344, N4346
N4346, C4347
C4347, C4348
C4347, C4351
C4348, O4349
C4348, O4350
C4351, C4352
C4352, C4353
C4353, O4354
C4353, O4355