0 mol 78 unq 0 iso 0 dist 8.61468 6.27186 3.93133 9.45835 7.17843 4.4651 numMergedOcc 0
1 mol 78 unq 0 iso 1 dist 6.27186 8.61468 3.93133 9.45835 4.4651 7.17843 numMergedOcc 0
2 mol 93 unq 0 iso 0 dist 8.84466 9.2948 16.5604 9.10877 12.5871 13.6269 numMergedOcc 0
3 mol 93 unq 0 iso 1 dist 9.2948 8.84466 16.5604 9.10877 13.6269 12.5871 numMergedOcc 0
4 mol 96 unq 0 iso 0 dist 7.57442 8.73938 10.4392 6.19867 10.1389 3.94275 numMergedOcc 0
5 mol 96 unq 0 iso 1 dist 8.73938 7.57442 10.4392 6.19867 3.94275 10.1389 numMergedOcc 0
6 mol 115 unq 0 iso 0 dist 7.99121 6.30982 5.11161 5.22628 6.59772 4.86477 numMergedOcc 0
7 mol 115 unq 0 iso 1 dist 6.30982 7.99121 5.11161 5.22628 4.86477 6.59772 numMergedOcc 0
8 mol 115 unq 1 iso 0 dist 7.99121 6.12404 10.7282 5.22628 6.59772 5.24961 numMergedOcc 0
9 mol 115 unq 1 iso 1 dist 6.12404 7.99121 10.7282 5.22628 5.24961 6.59772 numMergedOcc 0
10 mol 115 unq 1 iso 0 dist 6.30982 6.12404 6.56935 5.22628 4.86477 5.24961 numMergedOcc 0
11 mol 115 unq 1 iso 1 dist 6.12404 6.30982 6.56935 5.22628 5.24961 4.86477 numMergedOcc 0
12 mol 132 unq 0 iso 0 dist 8.94096 7.64207 4.05522 7.84864 6.68335 9.11596 numMergedOcc 0
13 mol 132 unq 0 iso 1 dist 7.64207 8.94096 4.05522 7.84864 9.11596 6.68335 numMergedOcc 0
14 mol 133 unq 0 iso 0 dist 5.59311 9.22456 5.01776 8.94909 14.4095 17.145 numMergedOcc 0
15 mol 133 unq 0 iso 1 dist 9.22456 5.59311 5.01776 8.94909 17.145 14.4095 numMergedOcc 0
16 mol 133 unq 1 iso 0 dist 5.59311 5.7232 10.5425 8.94909 14.4095 5.37072 numMergedOcc 0
17 mol 133 unq 1 iso 1 dist 5.7232 5.59311 10.5425 8.94909 5.37072 14.4095 numMergedOcc 0
18 mol 133 unq 1 iso 0 dist 9.22456 5.7232 12.3753 8.94909 17.145 5.37072 numMergedOcc 0
19 mol 133 unq 1 iso 1 dist 5.7232 9.22456 12.3753 8.94909 5.37072 17.145 numMergedOcc 0
20 mol 152 unq 0 iso 0 dist 7.69136 9.30912 5.38362 6.31556 5.01633 4.06133 numMergedOcc 0
21 mol 152 unq 0 iso 1 dist 9.30912 7.69136 5.38362 6.31556 4.06133 5.01633 numMergedOcc 0
22 mol 181 unq 0 iso 0 dist 8.94464 8.63713 11.4167 9.50454 9.32503 8.88398 numMergedOcc 0
23 mol 181 unq 0 iso 1 dist 8.63713 8.94464 11.4167 9.50454 8.88398 9.32503 numMergedOcc 0
24 mol 181 unq 1 iso 0 dist 8.94464 8.63713 11.4167 7.15963 13.2985 4.98009 numMergedOcc 0
25 mol 181 unq 1 iso 1 dist 8.63713 8.94464 11.4167 7.15963 4.98009 13.2985 numMergedOcc 0
26 mol 181 unq 2 iso 0 dist 5.08796 5.93515 6.7732 6.43406 4.3158 4.3226 numMergedOcc 0
27 mol 181 unq 2 iso 1 dist 5.93515 5.08796 6.7732 6.43406 4.3226 4.3158 numMergedOcc 0
28 mol 185 unq 0 iso 0 dist 7.5578 6.06763 5.81461 6.62848 6.14586 4.53126 numMergedOcc 0
29 mol 185 unq 0 iso 1 dist 6.06763 7.5578 5.81461 6.62848 4.53126 6.14586 numMergedOcc 0
30 mol 197 unq 0 iso 0 dist 8.61953 7.91999 5.3979 9.14737 10.5326 5.29309 numMergedOcc 0
31 mol 197 unq 0 iso 1 dist 7.91999 8.61953 5.3979 9.14737 5.29309 10.5326 numMergedOcc 0
32 mol 236 unq 0 iso 0 dist 4.43243 5.92025 5.26871 5.99137 4.15973 9.01197 numMergedOcc 0
33 mol 236 unq 0 iso 1 dist 5.92025 4.43243 5.26871 5.99137 9.01197 4.15973 numMergedOcc 0
34 mol 236 unq 1 iso 0 dist 4.43243 9.04819 11.4554 5.99137 4.15973 14.6016 numMergedOcc 0
35 mol 236 unq 1 iso 1 dist 9.04819 4.43243 11.4554 5.99137 14.6016 4.15973 numMergedOcc 0
36 mol 236 unq 1 iso 0 dist 5.92025 9.04819 8.96137 5.99137 9.01197 14.6016 numMergedOcc 0
37 mol 236 unq 1 iso 1 dist 9.04819 5.92025 8.96137 5.99137 14.6016 9.01197 numMergedOcc 0
