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

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Open Source Chemistry Library

There is a newer version: 2025.1.1

99
int,int,int,int,int
1,1,1,1,0
2,2,2,1,0
3,3,3,1,0
4,4,4,1,0
5,5,5,5,0
6,6,6,6,0
7,7,7,6,0
8,8,8,8,0
9,9,9,8,0
10,10,10,8,0
11,11,11,11,0
12,12,12,12,0
13,13,13,13,0
14,14,14,14,0
15,15,15,15,0
16,16,16,15,0
17,17,17,15,0
18,18,18,15,0
19,19,19,19,0
20,20,1,1,0
21,21,21,5,0
22,22,22,1,0
23,23,23,5,0
24,24,24,5,0
25,25,25,25,0
26,26,26,25,0
27,27,28,5,0
28,28,28,5,0
29,29,29,5,0
30,30,2,1,0
31,31,31,31,0
32,32,7,6,0
33,33,21,5,0
34,34,8,8,0
35,35,6,6,0
36,36,36,5,0
37,37,2,1,0
38,38,9,8,0
39,39,10,8,0
40,40,10,8,0
41,41,3,1,0
42,42,42,8,0
43,43,10,8,0
44,44,16,15,0
45,45,10,8,0
46,46,9,8,0
47,47,42,8,0
48,48,9,8,0
49,49,6,6,0
50,50,21,5,0
51,51,7,6,0
52,52,21,5,0
53,53,42,8,0
54,54,9,8,0
55,55,10,8,0
56,56,10,8,0
57,57,2,1,0
58,58,10,8,0
59,59,6,6,0
60,60,4,1,0
61,61,42,8,0
62,62,10,8,0
63,63,2,1,0
64,64,2,1,0
65,65,9,8,0
66,66,9,8,0
67,67,9,8,0
68,68,8,8,0
69,69,9,8,0
70,70,70,70,70
71,71,5,5,0
72,72,16,15,0
73,73,18,15,0
74,74,17,15,0
75,75,26,25,0
76,76,9,8,0
77,77,12,12,0
78,78,2,1,0
79,79,9,8,0
80,80,2,1,0
81,81,10,8,0
82,82,9,8,0
83,0,0,0,0
84,0,0,0,0
85,0,0,0,0
86,0,0,0,0
87,87,87,87,87
88,88,88,88,88
89,89,89,89,89
90,90,90,90,90
91,91,91,91,91
92,92,92,92,92
93,93,93,93,93
94,94,94,94,94
95,95,95,95,95
96,96,96,96,96
97,97,97,97,97
98,98,98,98,98
99,99,99,99,99