0 mol 25 unq 0 iso 0 dist 9.95169 11.6047 8.53931 18.0515 11.7199 8.5404 numMergedOcc 0
1 mol 26 unq 0 iso 0 dist 9.56639 7.35595 5.84066 9.6643 14.3725 9.25649 numMergedOcc 0
2 mol 26 unq 1 iso 0 dist 9.56639 7.35595 5.84066 13.3573 11.3426 9.36104 numMergedOcc 0
3 mol 26 unq 2 iso 0 dist 9.60699 8.52538 6.79475 13.238 4.39827 8.42581 numMergedOcc 0
4 mol 119 unq 0 iso 0 dist 6.88175 10.06 6.55202 16.4092 9.75037 9.05798 numMergedOcc 0
5 mol 119 unq 1 iso 0 dist 6.88175 10.06 6.55202 10.4602 6.71103 5.85818 numMergedOcc 0
6 mol 134 unq 0 iso 0 dist 7.49352 10.8174 6.57379 19.1463 15.1517 8.77898 numMergedOcc 0
7 mol 134 unq 1 iso 0 dist 8.4088 11.7526 5.06715 11.493 4.72412 8.27673 numMergedOcc 0
8 mol 134 unq 2 iso 0 dist 8.4088 10.8306 6.14686 11.493 4.72412 7.74431 numMergedOcc 0
9 mol 173 unq 0 iso 0 dist 8.51691 9.61315 8.62366 14.649 9.35572 7.54706 numMergedOcc 0
10 mol 214 unq 0 iso 0 dist 6.91906 5.24956 8.70987 7.30003 5.73082 5.10114 numMergedOcc 0
11 mol 218 unq 0 iso 0 dist 8.57638 11.2606 8.61306 19.8809 13.7733 9.67381 numMergedOcc 0
12 mol 218 unq 1 iso 0 dist 8.57638 11.2606 8.61306 17.4877 13.0451 6.61099 numMergedOcc 0
13 mol 238 unq 0 iso 0 dist 9.40158 12.3374 9.38131 11.0457 4.14399 8.6597 numMergedOcc 0
14 mol 238 unq 1 iso 0 dist 9.40158 5.92575 6.85253 11.0457 4.14399 7.47235 numMergedOcc 0
15 mol 238 unq 2 iso 0 dist 9.40158 15.6966 9.08687 11.0457 4.14399 5.91208 numMergedOcc 0
16 mol 238 unq 3 iso 0 dist 5.41453 11.6924 7.39547 9.91577 8.5378 7.61203 numMergedOcc 0
17 mol 238 unq 4 iso 0 dist 5.41453 5.61491 7.24334 9.91577 8.5378 6.89694 numMergedOcc 0
18 mol 238 unq 5 iso 0 dist 5.41453 5.61491 7.24334 11.1268 11.4389 6.44735 numMergedOcc 0
19 mol 239 unq 0 iso 0 dist 8.03092 11.4002 9.74902 9.57618 7.16787 5.45844 numMergedOcc 0
20 mol 259 unq 0 iso 0 dist 9.2885 5.4536 8.84648 8.30744 4.67584 6.39918 numMergedOcc 0
