0 mol 46 unq 0 iso 0 dist 9.14996 9.31292 11.5601 3.98752 8.18251 11.7508 numMergedOcc 0
1 mol 46 unq 1 iso 0 dist 9.14996 9.31292 11.5601 7.08886 5.02642 13.5025 numMergedOcc 0
2 mol 48 unq 0 iso 0 dist 6.72531 8.05728 9.66389 4.91237 9.04514 5.35252 numMergedOcc 0
3 mol 79 unq 0 iso 0 dist 7.74131 7.68781 10.0733 4.20398 5.55798 10.2219 numMergedOcc 0
4 mol 103 unq 0 iso 0 dist 9.57953 6.36357 7.3651 10.4989 8.75165 6.79959 numMergedOcc 0
5 mol 129 unq 0 iso 0 dist 9.0455 7.13958 5.0466 4.74644 6.65878 7.6453 numMergedOcc 0
6 mol 133 unq 0 iso 0 dist 7.12336 4.69402 6.49614 4.98521 9.73038 9.38308 numMergedOcc 0
7 mol 139 unq 0 iso 0 dist 8.49892 5.77343 4.94393 4.19005 9.71665 8.78382 numMergedOcc 0
8 mol 155 unq 0 iso 0 dist 6.91762 5.16143 7.64573 9.32017 9.22494 13.5384 numMergedOcc 0
9 mol 183 unq 0 iso 0 dist 8.15747 9.15795 14.2931 8.4495 7.58913 13.5124 numMergedOcc 0
10 mol 183 unq 1 iso 0 dist 8.15747 9.15795 14.2931 3.94874 6.0782 12.3051 numMergedOcc 0
11 mol 183 unq 2 iso 0 dist 8.74903 8.72128 14.2931 5.86369 7.58913 13.5124 numMergedOcc 0
12 mol 183 unq 3 iso 0 dist 8.74903 8.72128 14.2931 4.44329 6.0782 12.3051 numMergedOcc 0
13 mol 185 unq 0 iso 0 dist 7.92501 9.83898 14.5353 9.22587 8.85182 15.9271 numMergedOcc 0
14 mol 185 unq 1 iso 0 dist 7.92501 9.83898 14.5353 9.4687 5.7065 18.2082 numMergedOcc 0
15 mol 187 unq 0 iso 0 dist 7.81168 5.82577 8.91643 4.75665 7.87608 8.0501 numMergedOcc 0
16 mol 192 unq 0 iso 0 dist 9.80584 8.86627 4.65303 8.61606 5.21088 7.36571 numMergedOcc 0
17 mol 192 unq 1 iso 0 dist 9.80584 8.86627 4.65303 19.1942 9.78743 12.4457 numMergedOcc 0
18 mol 192 unq 2 iso 0 dist 9.80584 8.86627 4.65303 4.97164 8.25609 9.17137 numMergedOcc 0
19 mol 192 unq 3 iso 0 dist 7.95713 9.10569 4.65303 5.41356 5.21088 7.36571 numMergedOcc 0
20 mol 192 unq 4 iso 0 dist 7.95713 9.10569 4.65303 16.5293 9.78743 12.4457 numMergedOcc 0
21 mol 192 unq 5 iso 0 dist 7.95713 9.10569 4.65303 4.87986 8.25609 9.17137 numMergedOcc 0
22 mol 212 unq 0 iso 0 dist 7.53582 9.50782 4.83552 10.1192 9.25225 13.3204 numMergedOcc 0
23 mol 243 unq 0 iso 0 dist 8.28347 7.93817 5.80426 12.916 8.6336 14.1395 numMergedOcc 0
24 mol 243 unq 1 iso 0 dist 8.28347 7.93817 5.80426 4.73439 9.58608 7.70472 numMergedOcc 0
25 mol 246 unq 0 iso 0 dist 4.82671 7.63397 9.48524 3.6864 7.14433 10.5871 numMergedOcc 0
26 mol 285 unq 0 iso 0 dist 8.12306 5.76796 6.37482 8.7778 7.38536 6.32984 numMergedOcc 0
27 mol 287 unq 0 iso 0 dist 9.39409 6.76192 5.66584 12.2952 6.19545 10.9141 numMergedOcc 0
28 mol 287 unq 1 iso 0 dist 9.39409 6.76192 5.66584 8.37461 7.3388 6.96774 numMergedOcc 0
29 mol 287 unq 2 iso 0 dist 9.39409 6.76192 5.66584 4.03583 6.96248 7.14859 numMergedOcc 0
30 mol 288 unq 0 iso 0 dist 9.39409 6.76192 5.66584 12.2952 6.19545 10.9141 numMergedOcc 0
31 mol 288 unq 1 iso 0 dist 9.39409 6.76192 5.66584 8.37461 7.3388 6.96774 numMergedOcc 0
32 mol 288 unq 2 iso 0 dist 9.39409 6.76192 5.66584 4.03583 6.96248 7.14859 numMergedOcc 0
33 mol 289 unq 0 iso 0 dist 9.39409 6.76192 5.66584 12.2952 6.19545 10.9141 numMergedOcc 0
34 mol 289 unq 1 iso 0 dist 9.39409 6.76192 5.66584 8.37461 7.3388 6.96774 numMergedOcc 0
35 mol 289 unq 2 iso 0 dist 9.39409 6.76192 5.66584 4.03583 6.96248 7.14859 numMergedOcc 0
