0 mol 13 unq 0 iso 0 dist 9.11447 7.98465 8.85788 14.8035 16.778 8.27119 numMergedOcc 0
1 mol 26 unq 0 iso 0 dist 8.42581 9.06516 9.45442 7.97596 13.5481 8.97754 numMergedOcc 0
2 mol 59 unq 0 iso 0 dist 8.72896 8.35444 12.2387 3.75088 11.4712 6.23509 numMergedOcc 0
3 mol 59 unq 1 iso 0 dist 6.62481 8.35444 9.30293 3.75088 8.64444 6.23509 numMergedOcc 0
4 mol 62 unq 0 iso 0 dist 9.87677 9.1062 6.35287 5.27573 9.71949 9.19512 numMergedOcc 0
5 mol 68 unq 0 iso 0 dist 8.80104 7.95451 9.40469 8.98865 12.1038 5.64092 numMergedOcc 0
6 mol 68 unq 1 iso 0 dist 8.80104 7.95451 9.40469 6.85428 10.4266 8.71074 numMergedOcc 0
7 mol 119 unq 0 iso 0 dist 9.05798 6.55202 9.75037 3.71283 8.34342 4.55071 numMergedOcc 0
8 mol 119 unq 1 iso 0 dist 5.85818 6.55202 6.71103 3.71283 7.62197 4.55071 numMergedOcc 0
9 mol 134 unq 0 iso 0 dist 8.77898 5.73203 12.9744 5.45 13.8093 6.76852 numMergedOcc 0
10 mol 134 unq 1 iso 0 dist 8.77898 6.57379 15.1517 5.45 13.8093 4.94473 numMergedOcc 0
11 mol 143 unq 0 iso 0 dist 6.40901 7.46803 6.16103 4.19541 7.22 6.60366 numMergedOcc 0
12 mol 143 unq 1 iso 0 dist 9.40626 7.46803 8.4697 4.19541 12.0797 6.60366 numMergedOcc 0
13 mol 214 unq 0 iso 0 dist 7.2498 9.58372 11.6757 6.05252 12.2697 7.70062 numMergedOcc 0
14 mol 214 unq 1 iso 0 dist 7.2498 9.58372 11.6757 4.00138 10.5205 7.66702 numMergedOcc 0
15 mol 218 unq 0 iso 0 dist 9.67381 8.61306 13.7733 9.62853 17.0061 6.17843 numMergedOcc 0
16 mol 218 unq 1 iso 0 dist 9.67381 8.61306 13.7733 13.697 18.7527 8.52772 numMergedOcc 0
17 mol 218 unq 2 iso 0 dist 6.61099 8.61306 13.0451 9.62853 13.6882 6.17843 numMergedOcc 0
18 mol 218 unq 3 iso 0 dist 6.61099 8.61306 13.0451 13.697 15.9977 8.52772 numMergedOcc 0
19 mol 225 unq 0 iso 0 dist 5.13453 8.91356 6.35462 16.5061 14.0772 8.74463 numMergedOcc 0
20 mol 225 unq 1 iso 0 dist 7.95883 8.91356 16.563 16.5061 24.3336 8.74463 numMergedOcc 0
21 mol 286 unq 0 iso 0 dist 8.72146 7.31896 11.4701 3.74137 11.9359 8.75926 numMergedOcc 0
