0 mol 46 unq 0 iso 0 dist 9.14996 9.31292 11.5601 8.55031 16.7853 13.8587 numMergedOcc 0
1 mol 46 unq 1 iso 0 dist 9.47718 9.31292 14.7198 8.55031 5.73909 13.8587 numMergedOcc 0
2 mol 46 unq 2 iso 0 dist 8.9459 9.31292 8.27204 8.55031 7.57955 13.8587 numMergedOcc 0
3 mol 48 unq 0 iso 0 dist 6.72531 8.05728 9.66389 7.40694 7.50273 6.39496 numMergedOcc 0
4 mol 51 unq 0 iso 0 dist 9.66898 8.55004 4.9987 6.50216 12.6076 13.7524 numMergedOcc 0
5 mol 51 unq 1 iso 0 dist 9.66898 8.55004 4.9987 9.83073 9.66244 10.3853 numMergedOcc 0
6 mol 56 unq 0 iso 0 dist 9.49487 8.72833 5.13524 9.60995 16.0633 12.3451 numMergedOcc 0
7 mol 59 unq 0 iso 0 dist 5.81747 8.61357 6.07398 8.69443 13.5189 12.9966 numMergedOcc 0
8 mol 59 unq 1 iso 0 dist 6.81975 8.61357 4.58297 8.69443 12.1252 12.9966 numMergedOcc 0
9 mol 103 unq 0 iso 0 dist 9.57953 6.36357 7.3651 9.81273 15.362 15.288 numMergedOcc 0
10 mol 103 unq 1 iso 0 dist 9.57953 6.36357 7.3651 6.67575 5.42278 8.47667 numMergedOcc 0
11 mol 123 unq 0 iso 0 dist 8.71274 8.56386 5.8424 9.28454 7.14659 10.9839 numMergedOcc 0
12 mol 123 unq 1 iso 0 dist 8.71274 8.56386 5.8424 7.97266 4.10446 9.13867 numMergedOcc 0
13 mol 123 unq 2 iso 0 dist 8.71274 7.15869 10.835 9.28454 7.14659 7.44999 numMergedOcc 0
14 mol 123 unq 3 iso 0 dist 8.71274 7.15869 10.835 7.97266 4.10446 7.70166 numMergedOcc 0
15 mol 133 unq 0 iso 0 dist 7.12336 4.69402 6.49614 8.63817 4.70999 5.16554 numMergedOcc 0
16 mol 133 unq 1 iso 0 dist 8.64946 9.96416 12.9286 9.63488 10.5368 15.8182 numMergedOcc 0
17 mol 133 unq 2 iso 0 dist 8.64946 7.17051 5.57746 9.63488 10.5368 13.6469 numMergedOcc 0
18 mol 133 unq 3 iso 0 dist 8.64946 5.9962 9.5993 9.63488 10.5368 6.63023 numMergedOcc 0
19 mol 139 unq 0 iso 0 dist 8.49892 5.77343 4.94393 8.27507 7.41954 6.5333 numMergedOcc 0
20 mol 163 unq 0 iso 0 dist 7.7264 9.21584 8.77547 9.48142 5.05407 7.23204 numMergedOcc 0
21 mol 183 unq 0 iso 0 dist 8.15747 9.15795 14.2931 5.83335 4.07773 11.7914 numMergedOcc 0
22 mol 183 unq 1 iso 0 dist 8.15747 9.15795 14.2931 9.92635 16.0056 6.08414 numMergedOcc 0
23 mol 183 unq 2 iso 0 dist 8.74903 8.72128 14.2931 9.86506 5.7389 15.1826 numMergedOcc 0
24 mol 183 unq 3 iso 0 dist 8.74903 8.72128 14.2931 7.86724 4.07773 11.7914 numMergedOcc 0
25 mol 183 unq 4 iso 0 dist 8.74903 8.72128 14.2931 7.85507 16.0056 6.08414 numMergedOcc 0
26 mol 183 unq 5 iso 0 dist 5.44125 9.15795 6.11741 5.83335 9.7245 11.7914 numMergedOcc 0
27 mol 183 unq 6 iso 0 dist 5.44125 9.15795 6.11741 9.92635 7.93856 6.08414 numMergedOcc 0
28 mol 183 unq 7 iso 0 dist 7.11505 8.72128 6.11741 9.86506 15.6656 15.1826 numMergedOcc 0
29 mol 183 unq 8 iso 0 dist 7.11505 8.72128 6.11741 7.86724 9.7245 11.7914 numMergedOcc 0
30 mol 183 unq 9 iso 0 dist 7.11505 8.72128 6.11741 7.85507 7.93856 6.08414 numMergedOcc 0
31 mol 188 unq 0 iso 0 dist 9.5523 9.4789 10.2256 8.48582 5.8486 6.11696 numMergedOcc 0
32 mol 188 unq 1 iso 0 dist 9.5523 9.4789 10.2256 9.94804 6.75677 13.7958 numMergedOcc 0
33 mol 212 unq 0 iso 0 dist 7.53582 9.50782 4.83552 9.89938 3.48668 4.38458 numMergedOcc 0
34 mol 258 unq 0 iso 0 dist 8.37512 9.52903 11.3847 9.4886 5.24482 12.9877 numMergedOcc 0
35 mol 265 unq 0 iso 0 dist 9.71346 9.81689 6.58111 6.98812 5.55184 5.57706 numMergedOcc 0
36 mol 266 unq 0 iso 0 dist 5.43053 7.51446 10.3939 3.90274 4.90213 5.69904 numMergedOcc 0
37 mol 266 unq 1 iso 0 dist 5.43053 7.51446 10.3939 7.49024 9.06715 11.0588 numMergedOcc 0
38 mol 294 unq 0 iso 0 dist 8.89372 8.55037 8.19972 5.27236 8.00469 9.06411 numMergedOcc 0
39 mol 294 unq 1 iso 0 dist 8.89372 5.71656 10.8049 5.27236 8.00469 7.05161 numMergedOcc 0
