0 mol 48 unq 0 iso 0 dist 6.72531 7.40694 7.50273 4.91237 9.04514 8.80801 numMergedOcc 0
1 mol 56 unq 0 iso 0 dist 9.49487 9.60995 16.0633 14.9425 17.7485 9.45622 numMergedOcc 0
2 mol 139 unq 0 iso 0 dist 8.49892 8.27507 7.41954 4.19005 9.71665 8.66615 numMergedOcc 0
3 mol 183 unq 0 iso 0 dist 8.15747 5.83335 4.07773 8.4495 7.58913 9.51612 numMergedOcc 0
4 mol 183 unq 1 iso 0 dist 8.15747 5.83335 4.07773 3.94874 6.0782 5.89091 numMergedOcc 0
5 mol 183 unq 2 iso 0 dist 8.74903 9.86506 5.7389 5.86369 7.58913 6.0033 numMergedOcc 0
6 mol 183 unq 3 iso 0 dist 8.74903 9.86506 5.7389 4.44329 6.0782 9.01322 numMergedOcc 0
7 mol 183 unq 4 iso 0 dist 8.74903 7.86724 4.07773 5.86369 7.58913 9.51612 numMergedOcc 0
8 mol 183 unq 5 iso 0 dist 8.74903 7.86724 4.07773 4.44329 6.0782 5.89091 numMergedOcc 0
9 mol 183 unq 6 iso 0 dist 5.44125 5.83335 9.7245 8.4495 12.897 9.51612 numMergedOcc 0
10 mol 183 unq 7 iso 0 dist 5.44125 5.83335 9.7245 3.94874 9.34187 5.89091 numMergedOcc 0
11 mol 183 unq 8 iso 0 dist 7.11505 9.86506 15.6656 5.86369 12.897 6.0033 numMergedOcc 0
12 mol 183 unq 9 iso 0 dist 7.11505 9.86506 15.6656 4.44329 9.34187 9.01322 numMergedOcc 0
13 mol 183 unq 10 iso 0 dist 7.11505 7.86724 9.7245 5.86369 12.897 9.51612 numMergedOcc 0
14 mol 183 unq 11 iso 0 dist 7.11505 7.86724 9.7245 4.44329 9.34187 5.89091 numMergedOcc 0
15 mol 195 unq 0 iso 0 dist 8.97651 9.0153 10.3135 10.6976 15.5899 6.77515 numMergedOcc 0
16 mol 232 unq 0 iso 0 dist 9.16638 9.71082 13.6728 11.9357 16.784 9.57701 numMergedOcc 0
17 mol 232 unq 1 iso 0 dist 9.16638 9.71082 13.6728 19.1288 20.5017 9.6048 numMergedOcc 0
18 mol 259 unq 0 iso 0 dist 5.30455 7.97113 4.77489 4.95084 8.93518 9.06386 numMergedOcc 0
19 mol 259 unq 1 iso 0 dist 5.30455 5.22111 4.59239 4.95084 8.93518 6.66413 numMergedOcc 0
20 mol 259 unq 2 iso 0 dist 7.34794 7.97113 7.10624 4.95084 10.9808 9.06386 numMergedOcc 0
21 mol 259 unq 3 iso 0 dist 7.34794 5.22111 5.09929 4.95084 10.9808 6.66413 numMergedOcc 0
22 mol 259 unq 4 iso 0 dist 6.8184 8.38479 4.77489 6.85606 8.93518 9.06386 numMergedOcc 0
23 mol 259 unq 5 iso 0 dist 6.8184 8.53598 4.59239 6.85606 8.93518 6.66413 numMergedOcc 0
24 mol 265 unq 0 iso 0 dist 9.71346 6.98812 5.55184 10.531 13.361 9.74602 numMergedOcc 0
25 mol 266 unq 0 iso 0 dist 5.43053 3.90274 4.90213 6.99177 11.1368 8.67354 numMergedOcc 0
26 mol 274 unq 0 iso 0 dist 9.27493 7.62562 13.2785 10.7766 19.855 9.70022 numMergedOcc 0
27 mol 283 unq 0 iso 0 dist 8.36393 8.80418 10.147 4.89148 12.2633 8.63928 numMergedOcc 0
