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

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Open Source Chemistry Library
There is a newer version: 2024.11.2
95
int,float,float,float,float,char
1,1.050,2.490,3.890,1.282,'-'
2,1.350,2.490,3.890,1.282,'-'
3,1.100,2.490,3.890,1.282,'-'
4,1.300,2.490,3.890,1.282,'-'
5,0.250,0.800,4.200,1.209,'-'
6,0.700,3.150,3.890,1.282,'A'
7,0.650,3.150,3.890,1.282,'A'
8,1.150,2.820,3.890,1.282,'A'
9,0.900,2.820,3.890,1.282,'A'
10,1.000,2.820,3.890,1.282,'A'
11,0.350,3.480,3.890,1.282,'A'
12,2.300,5.100,3.320,1.345,'A'
13,3.400,6.000,3.190,1.359,'A'
14,5.500,6.950,3.080,1.404,'A'
15,3.000,4.800,3.320,1.345,'A'
16,3.900,4.800,3.320,1.345,'A'
17,2.700,4.800,3.320,1.345,'-'
18,2.100,4.800,3.320,1.345,'-'
19,4.500,4.200,3.320,1.345,'-'
20,1.050,2.490,3.890,1.282,'-'
21,0.150,0.800,4.200,1.209,'D'
22,1.100,2.490,3.890,1.282,'-'
23,0.150,0.800,4.200,1.209,'D'
24,0.150,0.800,4.200,1.209,'D'
25,1.600,4.500,3.320,1.345,'-'
26,3.600,4.500,3.320,1.345,'A'
27,0.150,0.800,4.200,1.209,'D'
28,0.150,0.800,4.200,1.209,'D'
29,0.150,0.800,4.200,1.209,'D'
30,1.350,2.490,3.890,1.282,'-'
31,0.150,0.800,4.200,1.209,'D'
32,0.750,3.150,3.890,1.282,'A'
33,0.150,0.800,4.200,1.209,'D'
34,1.000,2.820,3.890,1.282,'-'
35,1.500,3.150,3.890,1.282,'A'
36,0.150,0.800,4.200,1.209,'D'
37,1.350,2.490,3.890,1.282,'-'
38,0.850,2.820,3.890,1.282,'A'
39,1.100,2.820,3.890,1.282,'-'
40,1.000,2.820,3.890,1.282,'A'
41,1.100,2.490,3.890,1.282,'-'
42,1.000,2.820,3.890,1.282,'A'
43,1.000,2.820,3.890,1.282,'A'
44,3.000,4.800,3.320,1.345,'A'
45,1.150,2.820,3.890,1.282,'-'
46,1.300,2.820,3.890,1.282,'-'
47,1.000,2.820,3.890,1.282,'A'
48,1.200,2.820,3.890,1.282,'A'
49,1.000,3.150,3.890,1.282,'-'
50,0.150,0.800,4.200,1.209,'D'
51,0.400,3.150,3.890,1.282,'-'
52,0.150,0.800,4.200,1.209,'D'
53,1.000,2.820,3.890,1.282,'-'
54,1.300,2.820,3.890,1.282,'-'
55,0.800,2.820,3.890,1.282,'-'
56,0.800,2.820,3.890,1.282,'-'
57,1.000,2.490,3.890,1.282,'-'
58,0.800,2.820,3.890,1.282,'-'
59,0.650,3.150,3.890,1.282,'A'
60,1.800,2.490,3.890,1.282,'A'
61,0.800,2.820,3.890,1.282,'A'
62,1.300,2.820,3.890,1.282,'A'
63,1.350,2.490,3.890,1.282,'-'
64,1.350,2.490,3.890,1.282,'-'
65,1.000,2.820,3.890,1.282,'A'
66,0.750,2.820,3.890,1.282,'A'
67,0.950,2.820,3.890,1.282,'A'
68,0.900,2.820,3.890,1.282,'A'
69,0.950,2.820,3.890,1.282,'A'
70,0.870,3.150,3.890,1.282,'A'
71,0.150,0.800,4.200,1.209,'D'
72,4.000,4.800,3.320,1.345,'A'
73,3.000,4.800,3.320,1.345,'-'
74,3.000,4.800,3.320,1.345,'-'
75,4.000,4.500,3.320,1.345,'A'
76,1.200,2.820,3.890,1.282,'A'
77,1.500,5.100,3.320,1.345,'A'
78,1.350,2.490,3.890,1.282,'-'
79,1.000,2.820,3.890,1.282,'A'
80,1.000,2.490,3.890,1.282,'-'
81,0.800,2.820,3.890,1.282,'-'
82,0.950,2.820,3.890,1.282,'A'
87,0.450,6.000,4.000,1.400,'-'
88,0.550,6.000,4.000,1.400,'-'
89,1.400,3.480,3.890,1.282,'A'
90,4.500,5.100,3.320,1.345,'A'
91,6.000,6.000,3.190,1.359,'A'
92,0.150,2.000,4.000,1.300,'-'
93,0.400,3.500,4.000,1.300,'-'
94,1.000,5.000,4.000,1.300,'-'
95,0.430,6.000,4.000,1.400,'-'
96,0.900,5.000,4.000,1.400,'-'
97,0.350,6.000,4.000,1.400,'-'
98,0.400,6.000,4.000,1.400,'-'
99,0.350,3.500,4.000,1.300,'-'