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

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Open Source Chemistry Library
There is a newer version: 2024.11.2
498
int,int,int,float
0,1,1,0.0000
0,1,2,-0.1382
0,1,3,-0.0610
0,1,4,-0.2000
0,1,5,0.0000
0,1,6,-0.2800
0,1,8,-0.2700
0,1,9,-0.2460
0,1,10,-0.3001
0,1,11,-0.3400
0,1,12,-0.2900
0,1,13,-0.2300
0,1,14,-0.1900
0,1,15,-0.2300
0,1,17,-0.1935
0,1,18,-0.1052
0,1,19,0.0805
0,1,20,0.0000
0,1,22,-0.0950
0,1,25,0.0000
0,1,26,-0.1669
0,1,34,-0.5030
0,1,35,-0.4274
0,1,37,-0.1435
0,1,39,-0.2556
0,1,40,-0.3691
0,1,41,0.1060
0,1,43,-0.3557
0,1,45,-0.2402
0,1,46,-0.3332
0,1,54,-0.3461
0,1,55,-0.4895
0,1,56,-0.3276
0,1,57,-0.1050
0,1,58,-0.4880
0,1,61,-0.2657
0,1,62,-0.2000
0,1,63,-0.1800
0,1,64,-0.1810
0,1,67,-0.0990
0,1,68,-0.2560
0,1,72,-0.5500
0,1,73,-0.0877
0,1,75,-0.2550
0,1,78,-0.1680
0,1,80,-0.1440
0,1,81,-0.5140
0,2,2,0.0000
1,2,2,0.0000
1,2,3,-0.0144
0,2,4,-0.0650
1,2,4,-0.0650
0,2,5,0.1500
0,2,6,-0.0767
1,2,9,-0.1710
0,2,10,-0.1090
0,2,11,-0.1495
0,2,12,-0.1400
0,2,13,-0.1100
0,2,14,-0.0900
0,2,15,-0.1010
0,2,17,-0.0560
0,2,18,0.0170
0,2,19,0.2290
0,2,20,0.1160
0,2,22,0.0400
0,2,25,0.1470
0,2,30,-0.0310
0,2,34,-0.3560
0,2,35,-0.3500
1,2,37,0.0284
1,2,39,0.0310
0,2,40,-0.1000
0,2,41,0.2500
0,2,43,-0.1910
0,2,45,-0.2044
0,2,46,-0.2940
0,2,55,-0.3410
0,2,56,-0.3030
0,2,62,-0.0500
1,2,63,-0.0450
1,2,64,-0.0460
1,2,67,0.0360
0,2,72,-0.4500
1,2,81,-0.3790
1,3,3,0.0000
1,3,4,-0.1050
0,3,5,0.0600
0,3,6,-0.1500
0,3,7,-0.5700
0,3,9,-0.4500
1,3,9,-0.2110
0,3,10,-0.0600
0,3,11,-0.2220
0,3,12,-0.2090
0,3,15,-0.1410
0,3,16,-0.3800
0,3,17,-0.0960
0,3,18,-0.0230
0,3,20,0.0530
0,3,22,0.0000
0,3,25,0.1070
1,3,30,-0.0710
0,3,35,-0.3610
1,3,37,0.0862
1,3,39,-0.0090
0,3,40,-0.0500
0,3,41,0.1470
0,3,43,-0.2363
0,3,45,-0.1650
0,3,48,-0.4300
0,3,51,-0.9500
0,3,53,-0.0134
0,3,54,-0.4000
1,3,54,-0.3290
0,3,55,-0.3810
0,3,56,-0.3430
1,3,57,-0.0100
1,3,58,-0.3930
0,3,62,-0.0300
1,3,63,-0.0850
1,3,64,-0.0860
0,3,67,-0.0040
0,3,74,-0.3190
0,3,75,-0.2474
1,3,78,-0.0730
1,3,80,-0.0490
0,4,5,0.1770
0,4,6,-0.0430
0,4,7,-0.4870
0,4,9,-0.3000
1,4,9,-0.1060
0,4,10,-0.0440
0,4,15,-0.0360
0,4,20,0.1810
0,4,22,0.1050
0,4,30,0.0340
1,4,37,0.0730
0,4,40,-0.0640
0,4,42,-0.5571
0,4,43,-0.1260
1,4,63,0.0200
1,4,64,0.0190
0,5,19,0.2000
0,5,20,0.0000
0,5,22,-0.1000
0,5,30,-0.1500
0,5,37,-0.1500
0,5,41,0.2203
0,5,57,-0.1500
0,5,63,-0.1500
0,5,64,-0.1500
0,5,78,-0.1500
0,5,80,-0.1500
0,6,6,0.0000
0,6,8,-0.1000
0,6,9,-0.0630
0,6,10,0.0355
0,6,15,0.0070
0,6,17,0.0520
0,6,18,0.1837
0,6,19,0.2974
0,6,20,0.2579
0,6,21,0.4000
0,6,22,0.1480
0,6,24,0.5000
0,6,25,0.2712
0,6,26,0.1010
0,6,29,0.4500
0,6,30,0.0770
0,6,33,0.5000
0,6,37,0.0825
0,6,39,0.1390
0,6,40,-0.0210
0,6,41,0.2950
0,6,43,-0.0830
0,6,45,-0.0090
0,6,54,-0.1810
0,6,55,-0.2330
0,6,57,0.1380
0,6,58,-0.2450
0,6,63,0.0630
0,6,64,0.0620
0,7,17,0.5000
0,7,46,0.1618
0,7,74,0.5000
0,8,8,0.0000
0,8,9,-0.0530
0,8,10,0.0090
0,8,12,-0.0510
0,8,15,0.0170
0,8,17,0.0620
0,8,19,0.3470
0,8,20,0.2096
0,8,22,0.1580
0,8,23,0.3600
0,8,25,0.2679
0,8,26,0.1110
0,8,34,-0.2380
0,8,39,0.1490
0,8,40,-0.0110
0,8,43,-0.0730
0,8,45,-0.0070
0,8,46,-0.1760
0,8,55,-0.2230
0,8,56,-0.1850
0,9,9,0.0000
0,9,10,0.0620
0,9,12,0.0020
0,9,15,0.0700
0,9,18,0.1880
0,9,19,0.4000
0,9,20,0.2870
0,9,25,0.3180
0,9,27,0.4000
0,9,34,-0.1850
0,9,35,-0.1500
1,9,37,0.1790
1,9,39,0.2020
0,9,40,0.0420
0,9,41,0.3580
0,9,45,0.0460
0,9,53,0.3179
0,9,54,-0.1180
0,9,55,-0.1700
0,9,56,-0.1320
1,9,57,0.2010
0,9,62,0.1810
1,9,63,0.1260
1,9,64,0.1250
0,9,67,0.2070
1,9,78,0.1380
1,9,81,-0.2080
0,10,10,0.0000
0,10,13,0.0060
0,10,14,0.0360
0,10,15,0.0080
0,10,17,0.0530
0,10,20,0.2250
0,10,22,0.1490
0,10,25,0.2560
0,10,26,0.1020
0,10,28,0.3700
0,10,34,-0.2470
0,10,35,-0.2120
0,10,37,0.1170
0,10,39,0.1400
0,10,40,-0.0200
0,10,41,0.2960
0,10,45,-0.0160
0,10,63,0.0640
0,10,64,0.0630
0,11,20,0.2980
0,11,22,0.2317
0,11,25,0.3290
0,11,26,0.1750
0,11,37,0.1900
0,11,40,0.0530
0,12,15,0.0680
0,12,18,0.1860
0,12,19,0.3701
0,12,20,0.2900
0,12,22,0.2273
0,12,25,0.3160
0,12,26,0.2112
0,12,37,0.1770
0,12,40,0.0400
0,12,57,0.1990
0,12,63,0.1240
0,12,64,0.1230
0,13,20,0.2190
0,13,22,0.1430
0,13,37,0.1110
0,13,64,0.0570
0,14,20,0.1890
0,14,37,0.0810
0,15,15,0.0000
0,15,18,0.1180
0,15,19,0.3300
0,15,20,0.2170
0,15,22,0.1410
0,15,25,0.2480
0,15,26,0.0940
0,15,30,0.0700
0,15,37,0.1015
0,15,40,-0.0280
0,15,43,-0.0900
0,15,57,0.1310
0,15,63,0.0560
0,15,64,0.0550
0,15,71,0.1800
0,16,16,0.0000
0,17,17,0.0000
0,17,20,0.1720
0,17,22,0.0960
0,17,37,0.0640
0,17,43,-0.1350
0,18,18,0.0000
0,18,20,0.0990
0,18,22,0.0230
0,18,32,-0.6500
0,18,37,-0.0090
0,18,39,0.0140
0,18,43,-0.1380
0,18,48,-0.5895
0,18,55,-0.3580
0,18,58,-0.3700
0,18,62,0.2099
0,18,63,-0.0620
0,18,64,-0.0630
0,18,80,-0.0260
0,19,19,0.0000
0,19,20,-0.1130
0,19,37,-0.2210
0,19,40,-0.3580
0,19,63,-0.2740
0,19,75,-0.3490
0,20,20,0.0000
0,20,22,-0.0760
0,20,25,0.0310
0,20,26,-0.1230
0,20,30,-0.1380
0,20,34,-0.4720
0,20,37,-0.1080
0,20,40,-0.2450
0,20,41,0.0710
0,20,43,-0.3070
0,20,45,-0.2410
0,22,22,0.0000
0,22,30,-0.0710
0,22,34,-0.3960
0,22,37,-0.0320
0,22,40,-0.1690
0,22,41,0.1470
0,22,43,-0.2310
0,22,45,-0.1650
0,23,39,-0.2700
0,23,62,-0.4000
0,23,67,-0.2920
0,23,68,-0.3600
0,25,25,0.0000
0,25,32,-0.7000
0,25,37,-0.1390
0,25,39,-0.1160
0,25,40,-0.2760
0,25,43,-0.3380
0,25,57,-0.1170
0,25,63,-0.1920
0,25,71,-0.0362
0,25,72,-0.6773
0,26,26,0.0000
0,26,34,-0.3490
0,26,37,0.0150
0,26,40,-0.1220
0,26,71,0.0960
0,28,40,-0.4000
0,28,43,-0.4200
0,28,48,-0.4000
0,30,30,0.0000
0,30,40,-0.0980
1,30,67,0.0670
0,31,70,-0.4300
0,32,41,0.6500
0,32,45,0.5200
0,32,67,0.6330
0,32,68,0.7500
0,32,69,0.7500
0,32,73,0.3500
0,32,77,0.4500
0,32,82,0.6330
0,34,36,0.4500
0,34,37,0.3640
0,34,43,0.1650
0,35,37,0.3290
0,35,63,0.2760
0,36,54,-0.4000
0,36,55,-0.4500
0,36,56,-0.4500
0,36,58,-0.4570
4,36,58,-0.4500
0,36,81,-0.4500
0,37,37,0.0000
1,37,37,0.0000
0,37,38,-0.3100
0,37,39,0.0230
1,37,39,0.0230
0,37,40,-0.1000
0,37,41,0.1790
0,37,43,-0.1990
0,37,45,-0.1330
0,37,46,-0.3020
0,37,55,-0.3490
0,37,56,-0.3110
1,37,57,0.0220
0,37,58,-0.3610
1,37,58,-0.3610
4,37,58,-0.3500
0,37,61,-0.1380
0,37,62,0.0020
0,37,63,0.0000
1,37,63,-0.0530
0,37,64,0.0000
1,37,64,-0.0540
1,37,67,0.0280
0,37,69,-0.0895
0,37,78,-0.0410
0,37,81,-0.3870
1,37,81,-0.3870
0,38,38,0.0000
0,38,63,0.2570
0,38,64,0.2560
0,38,69,0.3380
0,38,78,0.2690
1,39,39,0.0000
0,39,40,-0.1600
0,39,45,-0.1560
0,39,63,-0.1516
1,39,63,-0.0760
0,39,64,-0.0770
1,39,64,-0.0770
0,39,65,-0.4180
0,39,78,-0.0640
0,40,40,0.0000
0,40,45,0.0040
0,40,46,-0.1650
0,40,54,-0.1600
0,40,63,0.0840
0,40,64,0.0830
0,40,78,0.0960
0,41,41,0.0000
0,41,55,-0.5280
0,41,62,-0.1770
0,41,72,-0.5000
0,41,80,-0.1960
0,42,61,0.4920
0,43,43,0.0000
0,43,45,0.0660
0,43,64,0.1450
0,44,63,0.0400
0,44,65,-0.2207
0,44,78,0.0690
0,44,80,0.0930
0,45,63,0.0800
0,45,64,0.0790
0,45,78,0.0920
0,47,53,0.3700
0,49,50,0.5673
0,51,52,0.5000
0,55,57,0.3544
0,55,62,0.3510
0,55,64,0.2950
0,55,80,0.3320
0,56,57,0.4000
0,56,63,0.2580
0,56,80,0.2700
4,57,58,-0.4000
1,57,63,-0.0750
1,57,64,-0.0760
0,58,63,0.3080
0,58,64,0.3070
0,59,63,0.1400
0,59,65,-0.1209
0,59,78,0.1690
0,59,80,0.1930
0,59,82,0.2380
0,60,61,0.3700
0,62,63,-0.0550
0,62,64,-0.0560
0,63,63,0.0000
1,63,63,0.0000
0,63,64,0.0000
0,63,66,-0.3381
0,63,72,-0.4000
0,63,78,0.0120
0,63,81,-0.3340
0,64,64,0.0000
0,64,65,-0.2888
0,64,66,-0.2272
0,64,78,0.0130
0,64,81,-0.3330
0,64,82,0.0820
0,65,66,0.0000
0,65,78,0.3070
0,65,81,-0.0390
0,65,82,0.3760
0,66,66,0.0000
0,66,78,0.2990
0,66,81,-0.0470
0,71,75,-0.0958
0,72,73,0.4500
0,76,76,0.0000
0,76,78,0.4000
0,78,78,0.0000
1,78,78,0.0000
0,78,79,-0.3030
0,78,81,-0.3500
0,79,81,-0.0430
0,80,81,-0.4000