resources.forcefield.mmff94.bond.csv Maven / Gradle / Ivy

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Open Source Chemistry Library
There is a newer version: 2024.11.2
493
int,int,int,float,float
0,1,1,4.258,1.508
0,1,2,4.539,1.482
0,1,3,4.190,1.492
0,1,4,4.707,1.459
0,1,5,4.766,1.093
0,1,6,5.047,1.418
0,1,8,5.084,1.451
0,1,9,4.763,1.458
0,1,10,4.664,1.436
0,1,11,6.011,1.360
0,1,12,2.974,1.773
0,1,13,2.529,1.949
0,1,14,1.706,2.090
0,1,15,2.893,1.805
0,1,17,2.841,1.813
0,1,18,3.258,1.772
0,1,19,2.866,1.830
0,1,20,4.650,1.504
0,1,22,4.286,1.482
0,1,25,2.980,1.810
0,1,26,2.790,1.830
0,1,34,3.844,1.480
0,1,35,7.915,1.307
0,1,37,4.957,1.486
0,1,39,6.114,1.445
0,1,40,4.922,1.446
0,1,41,3.830,1.510
0,1,43,3.971,1.472
0,1,45,3.844,1.480
0,1,46,3.813,1.482
0,1,54,4.267,1.461
0,1,55,4.646,1.454
0,1,56,4.166,1.453
0,1,57,4.669,1.461
0,1,58,4.329,1.451
0,1,61,4.845,1.424
0,1,62,4.456,1.444
0,1,63,4.481,1.471
0,1,64,4.518,1.469
0,1,67,4.188,1.459
0,1,68,4.217,1.479
0,1,72,2.956,1.801
0,1,73,2.608,1.839
0,1,75,2.547,1.858
0,1,78,4.593,1.465
0,1,80,4.373,1.477
0,1,81,4.512,1.441
0,2,2,9.505,1.333
1,2,2,5.310,1.430
1,2,3,4.565,1.468
0,2,4,9.538,1.297
1,2,4,5.657,1.415
0,2,5,5.170,1.083
0,2,6,5.520,1.373
1,2,9,6.385,1.360
0,2,10,6.329,1.362
0,2,11,6.283,1.350
0,2,12,3.390,1.720
0,2,13,3.413,1.854
0,2,14,2.062,2.025
0,2,15,3.896,1.720
0,2,17,3.247,1.773
0,2,18,3.789,1.728
0,2,19,3.052,1.811
0,2,20,4.593,1.465
0,2,22,4.926,1.448
0,2,25,3.750,1.742
0,2,30,8.166,1.331
0,2,34,5.207,1.407
0,2,35,10.343,1.250
1,2,37,5.007,1.449
1,2,39,6.164,1.368
0,2,40,6.110,1.370
0,2,41,3.746,1.505
0,2,43,4.928,1.420
0,2,45,4.725,1.430
0,2,46,7.466,1.325
0,2,55,6.164,1.368
0,2,56,6.246,1.365
0,2,62,7.105,1.336
1,2,63,6.030,1.400
1,2,64,5.754,1.411
1,2,67,4.685,1.432
0,2,72,4.179,1.700
1,2,81,6.357,1.361
1,3,3,4.418,1.489
1,3,4,5.135,1.438
0,3,5,4.650,1.101
0,3,6,5.801,1.355
0,3,7,12.950,1.222
0,3,9,10.077,1.290
1,3,9,6.273,1.364
0,3,10,5.829,1.369
0,3,11,6.570,1.340
0,3,12,3.449,1.715
0,3,15,3.536,1.748
0,3,16,4.735,1.665
0,3,17,2.888,1.808
0,3,18,3.394,1.760
0,3,20,3.298,1.530
0,3,22,4.593,1.465
0,3,25,3.164,1.792
1,3,30,4.481,1.471
0,3,35,11.012,1.237
1,3,37,4.488,1.457
1,3,39,5.978,1.375
0,3,40,6.110,1.370
0,3,41,4.286,1.482
0,3,43,4.928,1.420
0,3,45,4.531,1.440
0,3,48,5.412,1.398
0,3,51,8.562,1.290
0,3,53,7.637,1.320
0,3,54,10.333,1.280
1,3,54,2.771,1.563
0,3,55,4.886,1.422
0,3,56,4.907,1.421
1,3,57,5.492,1.422
1,3,58,5.163,1.409
0,3,62,7.568,1.322
1,3,63,5.468,1.423
1,3,64,5.288,1.431
0,3,67,8.217,1.304
0,3,74,5.204,1.639
0,3,75,4.191,1.710
1,3,78,5.705,1.413
1,3,80,6.719,1.375
0,4,4,15.206,1.200
0,4,5,5.726,1.065
0,4,6,7.193,1.328
0,4,7,14.916,1.176
0,4,9,15.589,1.172
1,4,9,7.041,1.338
0,4,10,6.824,1.345
0,4,15,4.330,1.690
0,4,20,5.178,1.436
0,4,22,5.400,1.426
0,4,30,10.227,1.282
1,4,37,5.445,1.424
0,4,42,16.582,1.160
0,4,43,6.947,1.341
1,4,63,5.633,1.416
1,4,64,5.492,1.422
0,5,19,2.254,1.485
0,5,20,4.852,1.093
0,5,22,5.191,1.082
0,5,30,5.176,1.086
0,5,37,5.306,1.084
0,5,41,3.256,1.144
0,5,57,5.633,1.076
0,5,63,5.531,1.080
0,5,64,5.506,1.080
0,5,78,5.506,1.080
0,5,80,5.633,1.076
0,6,6,4.088,1.449
0,6,8,5.059,1.450
0,6,9,4.491,1.395
0,6,10,5.982,1.410
0,6,15,4.757,1.661
0,6,17,5.779,1.608
0,6,18,5.326,1.630
0,6,19,4.661,1.660
0,6,20,5.623,1.433
0,6,21,7.794,0.972
0,6,22,4.556,1.433
0,6,24,7.403,0.981
0,6,25,5.243,1.630
0,6,26,5.481,1.618
0,6,29,7.839,0.973
0,6,30,9.359,1.271
0,6,33,7.143,0.986
0,6,37,5.614,1.376
0,6,39,4.629,1.388
0,6,40,4.609,1.389
0,6,41,6.754,1.342
0,6,43,3.937,1.426
0,6,45,4.321,1.404
0,6,54,5.117,1.365
0,6,55,4.772,1.381
0,6,57,7.128,1.330
0,6,58,4.792,1.380
0,6,63,7.324,1.324
0,6,64,6.664,1.345
0,7,17,8.770,1.500
0,7,46,9.329,1.235
0,7,74,9.129,1.490
0,8,8,3.264,1.420
0,8,9,4.581,1.342
0,8,10,3.909,1.378
0,8,12,3.371,1.761
0,8,15,4.060,1.652
0,8,17,3.901,1.663
0,8,19,4.254,1.700
0,8,20,5.107,1.456
0,8,22,4.223,1.457
0,8,23,6.490,1.019
0,8,25,4.629,1.660
0,8,26,4.027,1.699
0,8,34,3.775,1.386
0,8,39,3.435,1.408
0,8,40,3.710,1.390
0,8,43,3.977,1.374
0,8,45,4.267,1.358
0,8,46,5.519,1.301
0,8,55,4.229,1.360
0,8,56,3.995,1.373
0,9,9,7.256,1.243
1,9,9,3.808,1.384
0,9,10,4.480,1.347
0,9,12,3.635,1.739
0,9,15,3.791,1.671
0,9,18,4.465,1.626
0,9,19,3.687,1.741
0,9,20,4.401,1.447
0,9,25,5.379,1.619
0,9,27,6.230,1.026
0,9,34,3.223,1.423
0,9,35,5.095,1.366
1,9,37,5.529,1.393
1,9,39,4.685,1.337
0,9,40,4.382,1.352
0,9,41,5.650,1.388
0,9,45,4.857,1.329
0,9,53,7.291,1.242
0,9,54,4.991,1.323
0,9,55,3.825,1.383
0,9,56,4.602,1.341
1,9,57,6.824,1.345
0,9,62,4.749,1.334
1,9,63,6.824,1.345
1,9,64,5.458,1.396
0,9,67,6.752,1.258
1,9,78,6.644,1.351
1,9,81,3.909,1.378
0,10,10,3.977,1.374
0,10,13,3.110,1.878
0,10,14,1.967,2.029
0,10,15,3.593,1.686
0,10,17,3.930,1.661
0,10,20,4.240,1.456
0,10,22,4.970,1.418
0,10,25,3.820,1.714
0,10,26,3.651,1.727
0,10,28,6.663,1.015
0,10,34,3.960,1.375
0,10,35,4.898,1.375
0,10,37,5.482,1.395
0,10,39,4.382,1.352
0,10,40,3.841,1.382
0,10,41,7.466,1.325
0,10,45,3.524,1.402
0,10,63,6.137,1.369
0,10,64,5.952,1.376
0,11,20,6.339,1.348
0,11,22,5.296,1.389
0,11,25,6.019,1.583
0,11,26,6.204,1.575
0,11,37,6.511,1.342
0,11,40,4.187,1.440
0,12,15,2.978,2.031
0,12,18,2.808,2.051
0,12,19,2.838,2.050
0,12,20,2.859,1.751
0,12,22,3.056,1.750
0,12,25,3.063,2.023
0,12,26,2.448,2.100
0,12,37,3.378,1.721
0,12,40,3.737,1.731
0,12,57,3.714,1.694
0,12,63,3.413,1.718
0,12,64,3.649,1.699
0,13,20,2.767,1.920
0,13,22,2.928,1.902
0,13,37,3.031,1.891
0,13,64,3.031,1.891
0,14,20,0.884,2.332
0,14,37,1.781,2.075
0,15,15,2.531,2.050
0,15,18,2.214,2.094
0,15,19,2.022,2.146
0,15,20,2.757,1.822
0,15,22,3.802,1.727
0,15,25,2.319,2.112
0,15,26,2.359,2.106
0,15,30,3.750,1.731
0,15,37,3.565,1.765
0,15,40,3.859,1.666
0,15,43,3.221,1.717
0,15,57,3.993,1.713
0,15,63,3.724,1.733
0,15,64,3.548,1.747
0,15,71,4.014,1.341
0,17,20,2.397,1.865
0,17,22,2.566,1.844
0,17,37,3.098,1.787
0,17,43,4.900,1.601
0,18,20,3.172,1.780
0,18,22,2.757,1.822
0,18,32,10.748,1.450
0,18,37,3.281,1.770
0,18,39,3.504,1.693
0,18,43,3.301,1.710
0,18,48,6.186,1.540
0,18,55,4.432,1.628
0,18,58,2.568,1.783
0,18,62,5.510,1.570
0,18,63,3.524,1.749
0,18,64,3.856,1.723
0,18,80,4.150,1.702
0,19,20,2.288,1.900
0,19,37,3.072,1.809
0,19,40,4.470,1.686
0,19,63,3.219,1.795
0,19,75,1.600,2.226
0,20,20,3.663,1.526
0,20,22,4.251,1.484
0,20,25,2.718,1.838
0,20,26,2.588,1.853
0,20,30,3.977,1.507
0,20,34,4.171,1.460
0,20,37,3.740,1.516
0,20,40,4.784,1.427
0,20,41,4.286,1.482
0,20,43,3.737,1.487
0,20,45,3.844,1.480
0,22,22,3.969,1.499
0,22,30,3.785,1.513
0,22,34,4.103,1.464
0,22,37,4.481,1.471
0,22,40,4.188,1.459
0,22,41,5.071,1.441
0,22,43,4.070,1.466
0,22,45,4.311,1.452
0,23,39,7.112,1.012
0,23,62,6.339,1.026
0,23,67,6.610,1.019
0,23,68,5.899,1.038
0,25,25,1.514,2.253
0,25,32,8.296,1.510
0,25,37,3.586,1.755
0,25,39,4.370,1.676
0,25,40,4.629,1.660
0,25,43,3.237,1.762
0,25,57,4.356,1.699
0,25,63,3.711,1.745
0,25,71,3.001,1.411
0,25,72,3.744,1.950
0,26,26,1.414,2.279
0,26,34,3.395,1.748
0,26,37,3.207,1.788
0,26,40,4.870,1.646
0,26,71,2.959,1.415
0,28,40,6.576,1.018
0,28,43,6.265,1.028
0,28,48,6.413,1.024
0,30,30,9.579,1.343
1,30,30,5.355,1.428
0,30,40,8.447,1.298
1,30,67,5.274,1.404
0,31,70,7.880,0.969
0,32,41,9.756,1.261
0,32,45,9.420,1.233
0,32,67,7.926,1.269
0,32,68,4.398,1.348
0,32,69,6.098,1.261
0,32,73,8.427,1.510
0,32,77,10.648,1.450
0,32,82,8.594,1.252
0,34,36,6.163,1.028
0,34,37,4.347,1.450
0,34,43,4.401,1.351
0,35,37,9.767,1.262
0,35,63,12.760,1.207
0,36,54,6.529,1.022
0,36,55,6.744,1.014
0,36,56,6.490,1.017
0,36,58,6.610,1.019
0,36,81,6.980,1.016
0,37,37,5.573,1.374
1,37,37,5.178,1.436
0,37,38,5.737,1.333
0,37,39,5.978,1.375
1,37,39,5.650,1.388
0,37,40,6.168,1.398
0,37,41,4.537,1.468
0,37,43,4.764,1.428
0,37,45,4.705,1.431
0,37,46,6.191,1.367
0,37,55,6.615,1.352
0,37,56,5.055,1.414
1,37,57,5.092,1.440
0,37,58,7.432,1.326
1,37,58,5.055,1.414
0,37,61,5.724,1.385
0,37,62,7.137,1.335
0,37,63,6.095,1.372
1,37,63,5.178,1.436
0,37,64,6.161,1.379
1,37,64,5.265,1.432
1,37,67,4.725,1.430
0,37,69,5.396,1.352
0,37,78,6.719,1.375
0,37,81,3.987,1.471
1,37,81,4.531,1.440
0,38,38,5.002,1.246
0,38,63,7.299,1.330
0,38,64,6.978,1.340
0,38,69,5.036,1.321
0,38,78,6.218,1.366
0,39,40,4.101,1.367
0,39,45,3.524,1.402
0,39,63,6.301,1.364
1,39,63,6.137,1.369
0,39,64,6.357,1.361
1,39,64,5.482,1.395
0,39,65,5.513,1.339
0,39,78,6.137,1.369
0,40,40,4.248,1.359
0,40,45,4.305,1.356
0,40,46,4.727,1.335
0,40,54,6.817,1.256
0,40,63,6.733,1.348
0,40,64,6.644,1.351
0,40,78,5.900,1.378
0,41,41,5.029,1.443
0,41,55,5.577,1.391
0,41,62,7.137,1.335
0,41,72,4.519,1.678
0,41,80,5.222,1.434
0,42,61,16.223,1.087
0,43,43,4.211,1.361
0,43,45,3.710,1.390
0,43,64,5.389,1.399
0,44,63,3.589,1.717
0,44,65,3.374,1.684
0,44,78,3.711,1.734
0,44,80,3.910,1.719
0,45,63,5.119,1.411
0,45,64,5.076,1.413
0,45,78,5.724,1.385
0,47,53,12.192,1.140
0,49,50,6.812,0.991
0,51,52,7.100,0.987
0,55,57,7.227,1.319
0,55,62,3.977,1.374
0,55,64,5.529,1.393
0,55,80,7.500,1.324
0,56,57,4.137,1.383
0,56,63,5.900,1.378
0,56,80,6.470,1.357
1,57,63,5.400,1.426
1,57,64,5.135,1.438
0,58,63,6.794,1.346
0,58,64,6.164,1.368
0,59,63,5.787,1.360
0,59,65,4.756,1.388
0,59,78,6.127,1.364
0,59,80,7.064,1.332
0,59,82,3.855,1.431
0,60,61,15.749,1.170
0,62,63,6.947,1.341
0,62,64,6.273,1.364
1,63,63,5.729,1.412
0,63,64,7.118,1.377
0,63,66,8.326,1.313
0,63,72,4.503,1.679
0,63,78,7.434,1.352
0,63,81,7.778,1.316
0,64,64,4.313,1.418
1,64,64,4.926,1.448
0,64,65,8.258,1.335
0,64,66,4.456,1.369
0,64,78,5.492,1.422
0,64,81,5.824,1.381
0,64,82,6.794,1.346
0,65,66,7.243,1.323
0,65,78,8.447,1.298
0,65,81,5.223,1.313
0,65,82,5.622,1.297
0,66,66,3.874,1.368
0,66,78,6.385,1.360
0,66,81,3.960,1.375
0,67,67,6.085,1.280
0,71,75,2.852,1.423
0,72,73,2.628,2.035
0,76,76,4.286,1.357
0,76,78,6.824,1.345
0,78,78,5.573,1.374
0,78,79,8.890,1.287
0,78,81,5.046,1.381
0,79,79,6.408,1.269
0,79,81,4.305,1.356
0,80,81,8.237,1.335