0 mol 37 unq 0 iso 0 dist 7.65758 4.68181 6.84337 8.64141 8.915 6.60603 numMergedOcc 0
1 mol 37 unq 0 iso 1 dist 7.65758 8.64141 8.915 4.68181 6.84337 6.60603 numMergedOcc 0
2 mol 45 unq 0 iso 0 dist 7.97558 12.0234 9.62637 6.72134 6.01423 5.79982 numMergedOcc 0
3 mol 45 unq 0 iso 1 dist 7.97558 6.72134 6.01423 12.0234 9.62637 5.79982 numMergedOcc 0
4 mol 58 unq 0 iso 0 dist 7.88172 6.82593 7.6481 15.7855 9.11258 13.9773 numMergedOcc 0
5 mol 58 unq 0 iso 1 dist 7.88172 15.7855 9.11258 6.82593 7.6481 13.9773 numMergedOcc 0
6 mol 67 unq 0 iso 0 dist 6.58279 5.52457 9.0008 5.42811 9.77887 9.07653 numMergedOcc 0
7 mol 67 unq 0 iso 1 dist 6.58279 5.42811 9.77887 5.52457 9.0008 9.07653 numMergedOcc 0
8 mol 92 unq 0 iso 0 dist 7.44343 6.12826 6.72712 5.02124 5.39745 5.06359 numMergedOcc 0
9 mol 92 unq 0 iso 1 dist 7.44343 5.02124 5.39745 6.12826 6.72712 5.06359 numMergedOcc 0
10 mol 114 unq 0 iso 0 dist 7.78223 12.097 9.83981 6.64548 6.13559 5.74742 numMergedOcc 0
11 mol 114 unq 0 iso 1 dist 7.78223 6.64548 6.13559 12.097 9.83981 5.74742 numMergedOcc 0
12 mol 114 unq 1 iso 0 dist 7.78223 12.097 9.83981 8.59522 6.51395 12.0339 numMergedOcc 0
13 mol 114 unq 1 iso 1 dist 7.78223 8.59522 6.51395 12.097 9.83981 12.0339 numMergedOcc 0
14 mol 114 unq 1 iso 0 dist 7.78223 6.64548 6.13559 8.59522 6.51395 7.50948 numMergedOcc 0
15 mol 114 unq 1 iso 1 dist 7.78223 8.59522 6.51395 6.64548 6.13559 7.50948 numMergedOcc 0
16 mol 116 unq 0 iso 0 dist 6.63731 5.47265 7.35992 7.15601 6.49383 6.36898 numMergedOcc 0
17 mol 116 unq 0 iso 1 dist 6.63731 7.15601 6.49383 5.47265 7.35992 6.36898 numMergedOcc 0
18 mol 134 unq 0 iso 0 dist 8.44423 16.5096 8.84087 13.7948 6.32615 5.75826 numMergedOcc 0
19 mol 134 unq 0 iso 1 dist 8.44423 13.7948 6.32615 16.5096 8.84087 5.75826 numMergedOcc 0
20 mol 134 unq 1 iso 0 dist 8.44423 16.5096 8.84087 13.1267 7.73791 6.53113 numMergedOcc 0
21 mol 134 unq 1 iso 1 dist 8.44423 13.1267 7.73791 16.5096 8.84087 6.53113 numMergedOcc 0
22 mol 134 unq 2 iso 0 dist 8.44423 16.5096 8.84087 9.40894 6.75145 9.10698 numMergedOcc 0
23 mol 134 unq 2 iso 1 dist 8.44423 9.40894 6.75145 16.5096 8.84087 9.10698 numMergedOcc 0
24 mol 134 unq 3 iso 0 dist 8.44423 16.5096 8.84087 12.8232 8.1856 7.12323 numMergedOcc 0
25 mol 134 unq 3 iso 1 dist 8.44423 12.8232 8.1856 16.5096 8.84087 7.12323 numMergedOcc 0
26 mol 134 unq 1 iso 0 dist 8.44423 13.7948 6.32615 13.1267 7.73791 4.86065 numMergedOcc 0
27 mol 134 unq 1 iso 1 dist 8.44423 13.1267 7.73791 13.7948 6.32615 4.86065 numMergedOcc 0
28 mol 134 unq 2 iso 0 dist 8.44423 13.7948 6.32615 9.40894 6.75145 8.71104 numMergedOcc 0
29 mol 134 unq 2 iso 1 dist 8.44423 9.40894 6.75145 13.7948 6.32615 8.71104 numMergedOcc 0
30 mol 134 unq 3 iso 0 dist 8.44423 13.7948 6.32615 12.8232 8.1856 9.82847 numMergedOcc 0
31 mol 134 unq 3 iso 1 dist 8.44423 12.8232 8.1856 13.7948 6.32615 9.82847 numMergedOcc 0
32 mol 134 unq 2 iso 0 dist 8.44423 13.1267 7.73791 9.40894 6.75145 5.63949 numMergedOcc 0
33 mol 134 unq 2 iso 1 dist 8.44423 9.40894 6.75145 13.1267 7.73791 5.63949 numMergedOcc 0
34 mol 134 unq 3 iso 0 dist 8.44423 13.1267 7.73791 12.8232 8.1856 8.00678 numMergedOcc 0
35 mol 134 unq 3 iso 1 dist 8.44423 12.8232 8.1856 13.1267 7.73791 8.00678 numMergedOcc 0
36 mol 134 unq 3 iso 0 dist 8.44423 9.40894 6.75145 12.8232 8.1856 5.2179 numMergedOcc 0
37 mol 134 unq 3 iso 1 dist 8.44423 12.8232 8.1856 9.40894 6.75145 5.2179 numMergedOcc 0
38 mol 134 unq 4 iso 0 dist 6.16169 13.6359 8.84087 10.1365 6.32615 5.75826 numMergedOcc 0
39 mol 134 unq 4 iso 1 dist 6.16169 10.1365 6.32615 13.6359 8.84087 5.75826 numMergedOcc 0
40 mol 134 unq 5 iso 0 dist 6.16169 13.6359 8.84087 9.44405 7.73791 6.53113 numMergedOcc 0
41 mol 134 unq 5 iso 1 dist 6.16169 9.44405 7.73791 13.6359 8.84087 6.53113 numMergedOcc 0
42 mol 134 unq 6 iso 0 dist 6.16169 13.6359 8.84087 7.19897 6.75145 9.10698 numMergedOcc 0
43 mol 134 unq 6 iso 1 dist 6.16169 7.19897 6.75145 13.6359 8.84087 9.10698 numMergedOcc 0
44 mol 134 unq 7 iso 0 dist 6.16169 13.6359 8.84087 11.4106 8.1856 7.12323 numMergedOcc 0
45 mol 134 unq 7 iso 1 dist 6.16169 11.4106 8.1856 13.6359 8.84087 7.12323 numMergedOcc 0
46 mol 134 unq 5 iso 0 dist 6.16169 10.1365 6.32615 9.44405 7.73791 4.86065 numMergedOcc 0
47 mol 134 unq 5 iso 1 dist 6.16169 9.44405 7.73791 10.1365 6.32615 4.86065 numMergedOcc 0
48 mol 134 unq 6 iso 0 dist 6.16169 10.1365 6.32615 7.19897 6.75145 8.71104 numMergedOcc 0
49 mol 134 unq 6 iso 1 dist 6.16169 7.19897 6.75145 10.1365 6.32615 8.71104 numMergedOcc 0
50 mol 134 unq 7 iso 0 dist 6.16169 10.1365 6.32615 11.4106 8.1856 9.82847 numMergedOcc 0
51 mol 134 unq 7 iso 1 dist 6.16169 11.4106 8.1856 10.1365 6.32615 9.82847 numMergedOcc 0
52 mol 134 unq 6 iso 0 dist 6.16169 9.44405 7.73791 7.19897 6.75145 5.63949 numMergedOcc 0
53 mol 134 unq 6 iso 1 dist 6.16169 7.19897 6.75145 9.44405 7.73791 5.63949 numMergedOcc 0
54 mol 134 unq 7 iso 0 dist 6.16169 9.44405 7.73791 11.4106 8.1856 8.00678 numMergedOcc 0
55 mol 134 unq 7 iso 1 dist 6.16169 11.4106 8.1856 9.44405 7.73791 8.00678 numMergedOcc 0
56 mol 134 unq 7 iso 0 dist 6.16169 7.19897 6.75145 11.4106 8.1856 5.2179 numMergedOcc 0
57 mol 134 unq 7 iso 1 dist 6.16169 11.4106 8.1856 7.19897 6.75145 5.2179 numMergedOcc 0
58 mol 143 unq 0 iso 0 dist 5.75595 5.12098 6.97487 6.50232 6.46089 6.54147 numMergedOcc 0
59 mol 143 unq 0 iso 1 dist 5.75595 6.50232 6.46089 5.12098 6.97487 6.54147 numMergedOcc 0
60 mol 175 unq 0 iso 0 dist 9.27911 12.677 9.19117 5.2437 6.26365 7.48559 numMergedOcc 0
61 mol 175 unq 0 iso 1 dist 9.27911 5.2437 6.26365 12.677 9.19117 7.48559 numMergedOcc 0
62 mol 175 unq 1 iso 0 dist 6.53696 11.158 8.99988 8.65486 6.99693 6.79946 numMergedOcc 0
63 mol 175 unq 1 iso 1 dist 6.53696 8.65486 6.99693 11.158 8.99988 6.79946 numMergedOcc 0
64 mol 189 unq 0 iso 0 dist 9.71563 9.43679 9.33695 5.87044 6.31466 4.7815 numMergedOcc 0
65 mol 189 unq 0 iso 1 dist 9.71563 5.87044 6.31466 9.43679 9.33695 4.7815 numMergedOcc 0
66 mol 234 unq 0 iso 0 dist 5.68253 11.0142 9.25517 6.7061 7.22019 9.51353 numMergedOcc 0
67 mol 234 unq 0 iso 1 dist 5.68253 6.7061 7.22019 11.0142 9.25517 9.51353 numMergedOcc 0
68 mol 250 unq 0 iso 0 dist 9.62767 6.27402 5.97993 9.6195 6.44252 4.81479 numMergedOcc 0
69 mol 250 unq 0 iso 1 dist 9.62767 9.6195 6.44252 6.27402 5.97993 4.81479 numMergedOcc 0
70 mol 250 unq 1 iso 0 dist 5.99119 5.85862 5.97993 6.88928 6.44252 4.81479 numMergedOcc 0
71 mol 250 unq 1 iso 1 dist 5.99119 6.88928 6.44252 5.85862 5.97993 4.81479 numMergedOcc 0
72 mol 259 unq 0 iso 0 dist 8.02757 5.84058 8.92185 5.36282 7.7574 4.85051 numMergedOcc 0
73 mol 259 unq 0 iso 1 dist 8.02757 5.36282 7.7574 5.84058 8.92185 4.85051 numMergedOcc 0
