0 mol 29 unq 0 iso 0 dist 6.73481 9.50033 7.50258 13.5144 9.88128 9.99467 numMergedOcc 0
1 mol 48 unq 0 iso 0 dist 8.05728 4.91237 5.35252 6.72531 9.66389 9.04514 numMergedOcc 0
2 mol 79 unq 0 iso 0 dist 8.01516 15.8477 8.64686 13.9046 6.05149 5.55798 numMergedOcc 0
3 mol 99 unq 0 iso 0 dist 8.44207 4.95662 8.68674 8.81282 6.02095 5.61946 numMergedOcc 0
4 mol 103 unq 0 iso 0 dist 6.36357 10.4989 6.79959 9.57953 7.3651 8.75165 numMergedOcc 0
5 mol 103 unq 1 iso 0 dist 5.52999 6.64985 6.79959 11.7787 7.3651 8.75165 numMergedOcc 0
6 mol 103 unq 2 iso 0 dist 7.52954 6.78021 6.56481 12.5739 5.86578 8.23356 numMergedOcc 0
7 mol 129 unq 0 iso 0 dist 7.13958 4.74644 7.6453 9.0455 5.0466 6.65878 numMergedOcc 0
8 mol 133 unq 0 iso 0 dist 9.96416 5.9683 5.79195 12.6339 8.75242 6.9268 numMergedOcc 0
9 mol 133 unq 1 iso 0 dist 9.96416 5.9683 5.79195 12.8104 6.45333 8.19166 numMergedOcc 0
10 mol 133 unq 2 iso 0 dist 7.17051 5.9683 9.2759 12.6339 14.0828 6.9268 numMergedOcc 0
11 mol 133 unq 3 iso 0 dist 7.17051 5.9683 9.2759 12.8104 11.5586 8.19166 numMergedOcc 0
12 mol 133 unq 4 iso 0 dist 5.9962 5.9683 8.76088 12.6339 15.4372 6.9268 numMergedOcc 0
13 mol 133 unq 5 iso 0 dist 5.9962 5.9683 8.76088 12.8104 14.3705 8.19166 numMergedOcc 0
14 mol 133 unq 6 iso 0 dist 8.61448 13.8877 8.76088 19.5391 15.4372 6.9268 numMergedOcc 0
15 mol 133 unq 7 iso 0 dist 8.61448 13.8877 8.76088 21.252 14.3705 8.19166 numMergedOcc 0
16 mol 139 unq 0 iso 0 dist 5.77343 4.19005 8.78382 8.49892 4.94393 9.71665 numMergedOcc 0
17 mol 187 unq 0 iso 0 dist 5.82577 4.75665 8.0501 7.81168 8.91643 7.87608 numMergedOcc 0
18 mol 192 unq 0 iso 0 dist 8.86627 8.61606 7.36571 9.80584 4.65303 5.21088 numMergedOcc 0
19 mol 192 unq 1 iso 0 dist 8.86627 4.97164 9.17137 9.80584 4.65303 8.25609 numMergedOcc 0
20 mol 192 unq 2 iso 0 dist 9.10569 5.41356 7.36571 7.95713 4.65303 5.21088 numMergedOcc 0
21 mol 192 unq 3 iso 0 dist 9.10569 4.87986 9.17137 7.95713 4.65303 8.25609 numMergedOcc 0
22 mol 217 unq 0 iso 0 dist 8.60259 6.44163 7.60302 13.0454 7.95492 9.82478 numMergedOcc 0
23 mol 217 unq 1 iso 0 dist 8.60259 6.44163 7.60302 10.7481 4.10975 7.80898 numMergedOcc 0
24 mol 226 unq 0 iso 0 dist 7.54614 12.983 8.74399 17.2529 9.96567 9.03261 numMergedOcc 0
25 mol 243 unq 0 iso 0 dist 7.93817 4.73439 7.70472 8.28347 5.80426 9.58608 numMergedOcc 0
26 mol 250 unq 0 iso 0 dist 5.43868 9.96947 8.51703 12.4507 7.15398 9.88044 numMergedOcc 0
27 mol 250 unq 1 iso 0 dist 9.80833 9.96947 5.07895 12.4507 6.13352 9.88044 numMergedOcc 0
28 mol 258 unq 0 iso 0 dist 9.46746 10.7968 5.53369 15.4586 6.30651 8.17026 numMergedOcc 0
29 mol 258 unq 1 iso 0 dist 9.46746 12.9568 8.57274 15.4586 6.30651 8.43002 numMergedOcc 0
30 mol 258 unq 2 iso 0 dist 7.31698 4.91726 5.53369 12.2635 6.30651 8.17026 numMergedOcc 0
31 mol 258 unq 3 iso 0 dist 7.31698 10.693 8.57274 12.2635 6.30651 8.43002 numMergedOcc 0
32 mol 265 unq 0 iso 0 dist 9.81689 10.531 7.52632 15.8929 7.53666 8.5774 numMergedOcc 0
33 mol 265 unq 1 iso 0 dist 9.81689 10.531 7.52632 11.4903 4.47698 9.94957 numMergedOcc 0
34 mol 265 unq 2 iso 0 dist 9.81689 10.531 7.52632 14.6106 5.62902 8.01664 numMergedOcc 0
35 mol 266 unq 0 iso 0 dist 9.36806 4.39397 9.39714 11.5029 14.487 7.3055 numMergedOcc 0
36 mol 266 unq 1 iso 0 dist 7.51446 9.47559 9.39714 16.638 14.487 7.3055 numMergedOcc 0
37 mol 271 unq 0 iso 0 dist 6.75395 5.60228 9.50884 11.6599 12.846 6.96986 numMergedOcc 0
38 mol 285 unq 0 iso 0 dist 5.76796 8.7778 6.32984 8.12306 6.37482 7.38536 numMergedOcc 0
39 mol 287 unq 0 iso 0 dist 6.76192 8.37461 6.96774 9.39409 5.66584 7.3388 numMergedOcc 0
40 mol 287 unq 1 iso 0 dist 6.76192 4.03583 7.14859 9.39409 5.66584 6.96248 numMergedOcc 0
41 mol 288 unq 0 iso 0 dist 6.76192 8.37461 6.96774 9.39409 5.66584 7.3388 numMergedOcc 0
42 mol 288 unq 1 iso 0 dist 6.76192 4.03583 7.14859 9.39409 5.66584 6.96248 numMergedOcc 0
43 mol 289 unq 0 iso 0 dist 6.76192 8.37461 6.96774 9.39409 5.66584 7.3388 numMergedOcc 0
44 mol 289 unq 1 iso 0 dist 6.76192 4.03583 7.14859 9.39409 5.66584 6.96248 numMergedOcc 0
