0 mol 11 unq 0 iso 0 dist 9.42442 6.42494 8.68636 8.97103 9.3651 13.5255 numMergedOcc 0
1 mol 46 unq 0 iso 0 dist 9.47718 9.14996 14.9502 14.0277 9.98353 17.5709 numMergedOcc 0
2 mol 46 unq 1 iso 0 dist 9.47718 8.9459 10.9654 14.0277 9.98353 19.3858 numMergedOcc 0
3 mol 59 unq 0 iso 0 dist 5.81747 4.67917 7.14954 13.5189 8.69443 14.1523 numMergedOcc 0
4 mol 59 unq 1 iso 0 dist 6.81975 6.88924 7.14954 12.1252 8.69443 14.1523 numMergedOcc 0
5 mol 78 unq 0 iso 0 dist 9.84346 9.46472 3.93133 11.4479 6.02034 6.77808 numMergedOcc 0
6 mol 78 unq 1 iso 0 dist 9.46472 9.84346 3.93133 11.4479 6.77808 6.02034 numMergedOcc 0
7 mol 181 unq 0 iso 0 dist 5.75545 8.86645 4.09371 5.17618 6.13872 10.1001 numMergedOcc 0
8 mol 183 unq 0 iso 0 dist 8.15747 8.74903 3.75614 4.07773 5.83335 7.86724 numMergedOcc 0
9 mol 183 unq 1 iso 0 dist 8.15747 8.74903 3.75614 16.0056 9.92635 7.85507 numMergedOcc 0
10 mol 183 unq 2 iso 0 dist 8.74903 8.15747 3.75614 5.7389 9.86506 11.3395 numMergedOcc 0
11 mol 183 unq 3 iso 0 dist 8.74903 8.15747 3.75614 4.07773 7.86724 5.83335 numMergedOcc 0
12 mol 183 unq 4 iso 0 dist 8.74903 8.15747 3.75614 16.0056 7.85507 9.92635 numMergedOcc 0
13 mol 183 unq 5 iso 0 dist 5.44125 7.11505 3.75614 9.7245 5.83335 7.86724 numMergedOcc 0
14 mol 183 unq 6 iso 0 dist 5.44125 7.11505 3.75614 7.93856 9.92635 7.85507 numMergedOcc 0
15 mol 183 unq 7 iso 0 dist 5.44125 8.7143 9.96454 9.7245 5.83335 13.6633 numMergedOcc 0
16 mol 183 unq 8 iso 0 dist 5.44125 8.7143 9.96454 7.93856 9.92635 15.2398 numMergedOcc 0
17 mol 183 unq 9 iso 0 dist 7.11505 5.44125 3.75614 15.6656 9.86506 11.3395 numMergedOcc 0
18 mol 183 unq 10 iso 0 dist 7.11505 5.44125 3.75614 9.7245 7.86724 5.83335 numMergedOcc 0
19 mol 183 unq 11 iso 0 dist 7.11505 5.44125 3.75614 7.93856 7.85507 9.92635 numMergedOcc 0
20 mol 183 unq 12 iso 0 dist 7.11505 8.7143 12.8714 15.6656 9.86506 21.06 numMergedOcc 0
21 mol 183 unq 13 iso 0 dist 7.11505 8.7143 12.8714 9.7245 7.86724 13.6633 numMergedOcc 0
22 mol 183 unq 14 iso 0 dist 7.11505 8.7143 12.8714 7.93856 7.85507 15.2398 numMergedOcc 0
23 mol 232 unq 0 iso 0 dist 9.16638 5.29561 9.9868 13.6728 9.71082 16.8576 numMergedOcc 0
24 mol 238 unq 0 iso 0 dist 9.51177 7.82564 5.00891 15.2081 9.46728 9.25424 numMergedOcc 0
25 mol 258 unq 0 iso 0 dist 6.15713 9.64278 4.84513 6.12334 8.51287 10.1501 numMergedOcc 0
26 mol 259 unq 0 iso 0 dist 5.30455 6.8184 5.25523 4.77489 7.97113 8.38479 numMergedOcc 0
27 mol 259 unq 1 iso 0 dist 5.30455 6.8184 5.25523 4.59239 5.22111 8.53598 numMergedOcc 0
28 mol 259 unq 2 iso 0 dist 6.8184 5.30455 5.25523 4.77489 8.38479 7.97113 numMergedOcc 0
29 mol 259 unq 3 iso 0 dist 6.8184 5.30455 5.25523 4.59239 8.53598 5.22111 numMergedOcc 0
30 mol 278 unq 0 iso 0 dist 7.79408 9.60643 5.54418 4.50533 6.83278 10.9843 numMergedOcc 0
31 mol 292 unq 0 iso 0 dist 9.87259 7.7557 9.50833 6.27786 9.66404 10.3547 numMergedOcc 0
