resources.forcefield.mmff94.bndk.csv Maven / Gradle / Ivy
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Open Source Chemistry Library
58
int,int,float,float
1,6,1.084,5.15
1,7,1.001,7.35
1,8,0.947,9.10
1,9,0.92,10.6
1,14,1.48,2.3
1,15,1.415,2.95
1,16,1.326,4.30
1,17,1.28,4.3
1,35,1.41,4.2
1,53,1.60,2.7
6,6,1.512,3.80
6,7,1.439,4.55
6,8,1.393,5.40
6,9,1.353,6.20
6,14,1.86,2.6
6,15,1.84,2.7
6,16,1.812,2.85
6,17,1.781,2.75
6,35,1.94,2.6
6,53,2.16,1.4
7,7,1.283,6.00
7,8,1.333,5.90
7,9,1.36,5.9
7,14,1.74,3.7
7,15,1.65,4.8
7,16,1.674,3.75
7,17,1.75,3.5
7,35,1.90,2.9
7,53,2.10,1.6
8,8,1.48,3.6
8,9,1.42,4.6
8,14,1.63,5.2
8,15,1.66,4.7
8,16,1.470,9.90
8,17,1.70,4.1
8,35,1.85,3.4
8,53,2.05,1.6
9,14,1.57,6.4
9,15,1.54,7.1
9,16,1.55,6.9
14,14,2.32,1.3
14,15,2.25,1.5
14,16,2.15,2.0
14,17,2.02,3.1
14,35,2.19,2.1
14,53,2.44,1.5
15,15,2.21,1.7
15,16,2.10,2.4
15,17,2.03,3.0
15,35,2.21,2.0
15,53,2.47,1.4
16,16,2.052,2.50
16,17,2.04,2.9
16,35,2.24,1.9
16,53,2.40,1.7
17,17,1.99,3.5
35,35,2.28,2.4
53,53,2.67,1.6