0 mol 46 unq 0 iso 0 dist 9.14996 8.55031 16.7853 3.98752 8.18251 11.823 numMergedOcc 0
1 mol 46 unq 1 iso 0 dist 9.14996 8.55031 16.7853 7.08886 5.02642 13.9795 numMergedOcc 0
2 mol 48 unq 0 iso 0 dist 6.72531 7.40694 7.50273 4.91237 9.04514 8.80801 numMergedOcc 0
3 mol 103 unq 0 iso 0 dist 9.57953 9.81273 15.362 10.4989 8.75165 19.7237 numMergedOcc 0
4 mol 103 unq 1 iso 0 dist 9.57953 6.67575 5.42278 10.4989 8.75165 11.6803 numMergedOcc 0
5 mol 133 unq 0 iso 0 dist 7.12336 8.63817 4.70999 4.98521 9.73038 12.7082 numMergedOcc 0
6 mol 139 unq 0 iso 0 dist 8.49892 8.27507 7.41954 4.19005 9.71665 8.66615 numMergedOcc 0
7 mol 183 unq 0 iso 0 dist 8.15747 5.83335 4.07773 8.4495 7.58913 9.51612 numMergedOcc 0
8 mol 183 unq 1 iso 0 dist 8.15747 5.83335 4.07773 3.94874 6.0782 5.89091 numMergedOcc 0
9 mol 183 unq 2 iso 0 dist 8.15747 9.92635 16.0056 8.4495 7.58913 12.2374 numMergedOcc 0
10 mol 183 unq 3 iso 0 dist 8.15747 9.92635 16.0056 3.94874 6.0782 12.2148 numMergedOcc 0
11 mol 183 unq 4 iso 0 dist 8.74903 9.86506 5.7389 5.86369 7.58913 6.0033 numMergedOcc 0
12 mol 183 unq 5 iso 0 dist 8.74903 9.86506 5.7389 4.44329 6.0782 9.01322 numMergedOcc 0
13 mol 183 unq 6 iso 0 dist 8.74903 7.86724 4.07773 5.86369 7.58913 9.51612 numMergedOcc 0
14 mol 183 unq 7 iso 0 dist 8.74903 7.86724 4.07773 4.44329 6.0782 5.89091 numMergedOcc 0
15 mol 183 unq 8 iso 0 dist 8.74903 7.85507 16.0056 5.86369 7.58913 12.2374 numMergedOcc 0
16 mol 183 unq 9 iso 0 dist 8.74903 7.85507 16.0056 4.44329 6.0782 12.2148 numMergedOcc 0
17 mol 212 unq 0 iso 0 dist 7.53582 9.89938 3.48668 10.1192 9.25225 12.5016 numMergedOcc 0
18 mol 232 unq 0 iso 0 dist 9.16638 9.71082 13.6728 14.347 9.84479 13.7962 numMergedOcc 0
19 mol 232 unq 1 iso 0 dist 9.16638 9.71082 13.6728 9.07946 9.82645 15.4224 numMergedOcc 0
20 mol 238 unq 0 iso 0 dist 9.51177 9.46728 15.2081 4.11566 5.83514 11.9776 numMergedOcc 0
21 mol 256 unq 0 iso 0 dist 7.14598 9.71499 9.74403 4.47286 9.99628 13.5825 numMergedOcc 0
22 mol 259 unq 0 iso 0 dist 5.30455 7.97113 4.77489 4.95084 8.93518 9.06386 numMergedOcc 0
23 mol 259 unq 1 iso 0 dist 5.30455 5.22111 4.59239 4.95084 8.93518 6.66413 numMergedOcc 0
24 mol 259 unq 2 iso 0 dist 6.8184 8.38479 4.77489 6.85606 8.93518 9.06386 numMergedOcc 0
25 mol 259 unq 3 iso 0 dist 6.8184 8.53598 4.59239 6.85606 8.93518 6.66413 numMergedOcc 0
26 mol 283 unq 0 iso 0 dist 8.36393 8.80418 10.147 4.01355 5.90728 10.8712 numMergedOcc 0
