resources.forcefield.mmff94.94s.outofplane.csv Maven / Gradle / Ivy

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Open Source Chemistry Library

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117
int,int,int,int,float
0,2,0,0,0.020
1,2,1,2,0.030
1,2,2,2,0.027
1,2,2,3,0.026
1,2,2,5,0.013
1,2,2,37,0.032
2,2,2,5,0.013
2,2,3,5,0.012
2,2,5,5,0.006
2,2,5,6,0.027
2,2,5,37,0.017
2,2,5,40,0.012
2,2,5,41,0.008
0,3,0,0,0.130
1,3,1,7,0.146
1,3,2,7,0.138
1,3,3,7,0.134
1,3,5,7,0.122
1,3,6,7,0.141
1,3,7,10,0.129
1,3,7,37,0.138
2,3,5,7,0.113
2,3,5,9,0.081
2,3,6,7,0.127
2,3,7,10,0.116
3,3,5,7,0.113
3,3,6,7,0.127
5,3,5,7,0.103
5,3,5,9,0.074
5,3,5,54,0.078
5,3,6,7,0.119
5,3,7,10,0.102
5,3,9,40,0.067
6,3,7,37,0.127
7,3,10,10,0.113
7,3,20,20,0.151
9,3,40,40,0.057
0,8,0,0,0.000
0,10,0,0,0.015
1,10,1,3,0.015
1,10,3,6,0.015
1,10,3,28,0.015
3,10,3,28,0.015
3,10,28,28,0.015
0,17,0,0,0.000
0,26,0,0,0.000
0,30,0,0,0.010
5,30,20,30,0.008
0,37,0,0,0.035
1,37,37,37,0.040
2,37,37,37,0.031
3,37,37,37,0.027
5,37,37,37,0.015
5,37,37,38,0.046
5,37,37,63,0.008
5,37,37,64,0.012
5,37,37,69,0.016
5,37,38,38,0.084
6,37,37,37,0.048
15,37,37,37,0.025
37,37,37,40,0.046
0,39,0,0,0.020
1,39,63,63,0.012
23,39,63,63,-0.014
23,39,63,65,0.021
23,39,65,65,0.062
0,40,0,0,0.030
1,40,28,37,0.030
2,40,28,28,0.030
3,40,28,28,0.030
28,40,28,37,0.030
0,41,0,0,0.180
1,41,32,32,0.178
2,41,32,32,0.161
5,41,32,32,0.158
0,43,0,0,0.000
0,45,0,0,0.150
0,49,0,0,0.000
50,49,50,50,0.000
0,54,0,0,0.020
1,54,3,36,0.016
3,54,36,36,0.018
0,55,0,0,0.020
1,55,36,57,0.020
36,55,36,57,0.020
0,56,0,0,0.020
1,56,36,57,0.020
36,56,36,57,0.020
0,57,0,0,0.080
5,57,55,55,0.038
56,57,56,56,0.158
0,58,0,0,0.025
0,63,0,0,0.050
5,63,39,64,0.019
5,63,39,66,0.068
5,63,44,64,0.014
5,63,44,66,0.055
5,63,59,64,0.033
5,63,59,66,0.085
37,63,39,64,0.010
0,64,0,0,0.040
5,64,63,64,0.006
5,64,63,66,0.043
5,64,64,65,0.052
5,64,65,66,0.094
37,64,63,64,-0.01
0,67,0,0,0.070
0,69,0,0,0.070
32,69,37,37,0.067
0,73,0,0,0.000
0,78,0,0,0.045
5,78,78,81,0.046
0,80,0,0,0.080
5,80,81,81,0.057
0,81,0,0,0.025
36,81,78,80,0.016
0,82,0,0,0.000