0 mol 10 unq 0 iso 0 dist 9.10885 6.20013 6.47424 9.60284 8.44792 11.9429 numMergedOcc 0
1 mol 10 unq 1 iso 0 dist 9.10885 9.4649 9.59744 9.60284 8.44792 4.17235 numMergedOcc 0
2 mol 17 unq 0 iso 0 dist 8.62221 5.89633 7.324 5.04858 4.64234 5.34782 numMergedOcc 0
3 mol 17 unq 1 iso 0 dist 8.62221 10.787 7.18716 5.04858 4.64234 6.74307 numMergedOcc 0
4 mol 62 unq 0 iso 0 dist 6.42645 11.5076 6.51901 3.91116 7.25138 10.1564 numMergedOcc 0
5 mol 62 unq 1 iso 0 dist 6.42645 12.7433 9.1926 3.91116 7.25138 10.5761 numMergedOcc 0
6 mol 120 unq 0 iso 0 dist 8.93999 12.7437 8.44206 6.80253 8.03124 10.1556 numMergedOcc 0
7 mol 120 unq 1 iso 0 dist 8.93999 12.902 9.78884 6.80253 8.03124 12.3435 numMergedOcc 0
8 mol 133 unq 0 iso 0 dist 7.84085 13.6672 6.01995 9.45934 4.82356 7.49664 numMergedOcc 0
9 mol 133 unq 1 iso 0 dist 7.84085 13.6672 6.01995 5.10912 8.83476 14.1334 numMergedOcc 0
10 mol 154 unq 0 iso 0 dist 8.12953 11.1844 8.50487 13.5449 8.26128 4.05045 numMergedOcc 0
11 mol 167 unq 0 iso 0 dist 9.5648 14.4262 8.0697 5.79787 8.95296 11.9696 numMergedOcc 0
12 mol 167 unq 1 iso 0 dist 9.5648 14.4262 8.0697 9.64941 6.10021 5.37536 numMergedOcc 0
13 mol 210 unq 0 iso 0 dist 9.72463 14.9158 8.20259 17.8528 9.49242 4.04112 numMergedOcc 0
14 mol 254 unq 0 iso 0 dist 8.4346 9.97876 7.94753 8.84597 9.09568 4.93882 numMergedOcc 0
15 mol 254 unq 1 iso 0 dist 8.4346 9.97876 7.94753 13.2094 7.84221 5.60874 numMergedOcc 0
16 mol 254 unq 2 iso 0 dist 7.97728 9.97876 9.99046 8.84597 9.99168 4.93882 numMergedOcc 0
17 mol 254 unq 3 iso 0 dist 7.97728 9.97876 9.99046 13.2094 9.67383 5.60874 numMergedOcc 0
18 mol 287 unq 0 iso 0 dist 6.23874 8.62795 9.03468 11.5428 8.71974 6.1412 numMergedOcc 0
19 mol 287 unq 1 iso 0 dist 6.23874 8.62795 9.03468 13.0637 8.82649 13.2279 numMergedOcc 0
20 mol 287 unq 2 iso 0 dist 6.23874 8.62795 9.03468 7.33382 7.35776 12.5251 numMergedOcc 0
21 mol 287 unq 3 iso 0 dist 6.23874 11.5033 6.05363 11.5428 8.71974 11.8278 numMergedOcc 0
22 mol 287 unq 4 iso 0 dist 6.23874 11.5033 6.05363 13.0637 8.82649 4.22529 numMergedOcc 0
23 mol 287 unq 5 iso 0 dist 6.23874 11.5033 6.05363 7.33382 7.35776 8.19487 numMergedOcc 0
24 mol 287 unq 6 iso 0 dist 8.08382 13.5638 9.14217 7.88871 7.84189 10.3226 numMergedOcc 0
25 mol 288 unq 0 iso 0 dist 6.23874 8.62795 9.03468 11.5428 8.71974 6.1412 numMergedOcc 0
26 mol 288 unq 1 iso 0 dist 6.23874 8.62795 9.03468 13.0637 8.82649 13.2279 numMergedOcc 0
27 mol 288 unq 2 iso 0 dist 6.23874 8.62795 9.03468 7.33382 7.35776 12.5251 numMergedOcc 0
28 mol 288 unq 3 iso 0 dist 6.23874 11.5033 6.05363 11.5428 8.71974 11.8278 numMergedOcc 0
29 mol 288 unq 4 iso 0 dist 6.23874 11.5033 6.05363 13.0637 8.82649 4.22529 numMergedOcc 0
30 mol 288 unq 5 iso 0 dist 6.23874 11.5033 6.05363 7.33382 7.35776 8.19487 numMergedOcc 0
31 mol 288 unq 6 iso 0 dist 8.08382 13.5638 9.14217 7.88871 7.84189 10.3226 numMergedOcc 0
32 mol 289 unq 0 iso 0 dist 6.23874 8.62795 9.03468 11.5428 8.71974 6.1412 numMergedOcc 0
33 mol 289 unq 1 iso 0 dist 6.23874 8.62795 9.03468 13.0637 8.82649 13.2279 numMergedOcc 0
34 mol 289 unq 2 iso 0 dist 6.23874 8.62795 9.03468 7.33382 7.35776 12.5251 numMergedOcc 0
35 mol 289 unq 3 iso 0 dist 6.23874 11.5033 6.05363 11.5428 8.71974 11.8278 numMergedOcc 0
36 mol 289 unq 4 iso 0 dist 6.23874 11.5033 6.05363 13.0637 8.82649 4.22529 numMergedOcc 0
37 mol 289 unq 5 iso 0 dist 6.23874 11.5033 6.05363 7.33382 7.35776 8.19487 numMergedOcc 0
38 mol 289 unq 6 iso 0 dist 8.08382 13.5638 9.14217 7.88871 7.84189 10.3226 numMergedOcc 0
39 mol 294 unq 0 iso 0 dist 6.70519 4.9798 5.18334 9.32871 7.48987 11.4279 numMergedOcc 0
40 mol 294 unq 1 iso 0 dist 6.70519 6.13274 6.44588 9.32871 7.48987 9.32276 numMergedOcc 0
