0 mol 1 unq 0 iso 0 dist 9.72202 5.42625 9.00903 9.55106 7.4817 9.12196 numMergedOcc 0
1 mol 24 unq 0 iso 0 dist 8.0319 11.4109 6.86014 9.57964 6.00575 6.60423 numMergedOcc 0
2 mol 26 unq 0 iso 0 dist 9.80897 12.8257 8.34347 15.3756 10.6756 5.69955 numMergedOcc 0
3 mol 26 unq 1 iso 0 dist 8.37225 8.70636 8.34347 13.1344 10.6756 5.69955 numMergedOcc 0
4 mol 43 unq 0 iso 0 dist 8.03754 14.0204 8.80331 16.8389 9.06158 9.93832 numMergedOcc 0
5 mol 43 unq 1 iso 0 dist 8.03754 13.1056 6.20293 16.8389 9.06158 8.60739 numMergedOcc 0
6 mol 43 unq 2 iso 0 dist 9.47348 9.92508 8.93915 16.976 11.3891 8.60739 numMergedOcc 0
7 mol 59 unq 0 iso 0 dist 9.75265 5.03467 8.95999 12.6209 7.29086 9.44501 numMergedOcc 0
8 mol 70 unq 0 iso 0 dist 9.74802 5.43139 9.65964 9.76877 9.03317 6.54023 numMergedOcc 0
9 mol 73 unq 0 iso 0 dist 7.23812 12.8453 9.96396 12.238 8.26458 7.04044 numMergedOcc 0
10 mol 73 unq 1 iso 0 dist 7.23812 9.59988 6.19304 12.238 8.26458 8.73253 numMergedOcc 0
11 mol 73 unq 2 iso 0 dist 7.23812 7.80518 8.70481 15.5713 14.8866 8.85586 numMergedOcc 0
12 mol 73 unq 3 iso 0 dist 7.23812 7.80518 8.70481 12.125 8.05119 7.11 numMergedOcc 0
13 mol 85 unq 0 iso 0 dist 9.67557 6.53819 7.95579 9.27584 5.08358 8.00777 numMergedOcc 0
14 mol 85 unq 1 iso 0 dist 9.67557 9.9705 6.19965 9.27584 5.08358 7.1589 numMergedOcc 0
15 mol 100 unq 0 iso 0 dist 9.22737 12.9061 7.47343 21.0071 14.9392 9.00544 numMergedOcc 0
16 mol 100 unq 1 iso 0 dist 9.22737 12.9061 7.47343 18.3923 12.6602 7.12017 numMergedOcc 0
17 mol 112 unq 0 iso 0 dist 9.90769 13.4578 9.60462 20.7339 17.3924 9.92283 numMergedOcc 0
18 mol 112 unq 1 iso 0 dist 9.90769 13.4578 9.60462 10.9045 3.98564 7.23962 numMergedOcc 0
19 mol 112 unq 2 iso 0 dist 9.90769 6.69178 7.45389 10.9045 3.98564 7.30204 numMergedOcc 0
20 mol 115 unq 0 iso 0 dist 7.9258 4.75197 5.83991 9.32933 6.4497 5.72642 numMergedOcc 0
21 mol 152 unq 0 iso 0 dist 8.41774 13.1435 8.56324 17.4405 9.35627 9.77552 numMergedOcc 0
22 mol 152 unq 1 iso 0 dist 8.41774 13.793 6.70283 17.4405 9.35627 8.28642 numMergedOcc 0
23 mol 205 unq 0 iso 0 dist 8.52924 7.17157 6.03031 13.2681 5.28092 8.44861 numMergedOcc 0
24 mol 205 unq 1 iso 0 dist 8.52924 11.993 7.26832 13.2681 5.28092 5.60393 numMergedOcc 0
25 mol 222 unq 0 iso 0 dist 6.77368 8.47937 6.00706 10.9165 6.42798 7.862 numMergedOcc 0
26 mol 222 unq 1 iso 0 dist 7.73634 4.81992 6.00706 5.98014 6.42798 7.862 numMergedOcc 0
27 mol 227 unq 0 iso 0 dist 8.27093 10.9396 7.22101 13.2994 10.5813 8.03442 numMergedOcc 0
28 mol 227 unq 1 iso 0 dist 9.02226 10.9396 8.65997 13.2994 7.22396 8.03442 numMergedOcc 0
29 mol 227 unq 2 iso 0 dist 9.78611 9.775 7.55216 16.2404 9.69537 8.03442 numMergedOcc 0
30 mol 229 unq 0 iso 0 dist 8.83023 9.15968 7.03423 16.592 9.62106 8.92743 numMergedOcc 0
31 mol 236 unq 0 iso 0 dist 6.61371 9.63949 7.68742 14.7009 9.05842 8.50331 numMergedOcc 0
32 mol 236 unq 1 iso 0 dist 5.90804 7.45579 6.27581 5.6241 7.00028 8.50331 numMergedOcc 0
33 mol 238 unq 0 iso 0 dist 4.80834 7.04671 5.72887 12.3408 12.3808 7.32982 numMergedOcc 0
34 mol 248 unq 0 iso 0 dist 8.98788 9.01779 9.56569 10.913 6.71566 6.77954 numMergedOcc 0
35 mol 258 unq 0 iso 0 dist 8.23381 7.48984 6.97229 15.4657 11.6066 8.15467 numMergedOcc 0
36 mol 258 unq 1 iso 0 dist 9.04358 8.81588 6.60405 12.869 7.42673 6.70815 numMergedOcc 0
37 mol 258 unq 2 iso 0 dist 9.04358 5.90131 6.42289 12.869 7.42673 7.99477 numMergedOcc 0
38 mol 258 unq 3 iso 0 dist 9.04358 5.90131 6.42289 12.8643 6.44209 7.86627 numMergedOcc 0
