0 mol 43 unq 0 iso 0 dist 8.03754 14.0204 8.80331 13.1056 6.20293 8.13395 16.8389 9.06158 9.93832 8.60739 numMergedOcc 0
1 mol 43 unq 1 iso 0 dist 8.03754 13.1056 6.20293 14.0204 8.80331 8.13395 16.8389 9.06158 8.60739 9.93832 numMergedOcc 0
2 mol 73 unq 0 iso 0 dist 7.23812 12.8453 9.96396 9.59988 6.19304 5.4148 12.238 8.26458 7.04044 8.73253 numMergedOcc 0
3 mol 73 unq 1 iso 0 dist 7.23812 12.8453 9.96396 7.80518 8.70481 14.9342 12.238 8.26458 7.04044 10.3244 numMergedOcc 0
4 mol 73 unq 2 iso 0 dist 7.23812 9.59988 6.19304 12.8453 9.96396 5.4148 12.238 8.26458 8.73253 7.04044 numMergedOcc 0
5 mol 73 unq 3 iso 0 dist 7.23812 9.59988 6.19304 7.80518 8.70481 13.3558 12.238 8.26458 8.73253 10.3244 numMergedOcc 0
6 mol 73 unq 4 iso 0 dist 7.23812 7.80518 8.70481 12.8453 9.96396 14.9342 15.5713 14.8866 8.85586 16.8706 numMergedOcc 0
7 mol 73 unq 5 iso 0 dist 7.23812 7.80518 8.70481 12.8453 9.96396 14.9342 12.125 8.05119 7.11 12.4407 numMergedOcc 0
8 mol 73 unq 6 iso 0 dist 7.23812 7.80518 8.70481 9.59988 6.19304 13.3558 15.5713 14.8866 8.85586 18.0011 numMergedOcc 0
9 mol 73 unq 7 iso 0 dist 7.23812 7.80518 8.70481 9.59988 6.19304 13.3558 12.125 8.05119 7.11 12.0613 numMergedOcc 0
10 mol 85 unq 0 iso 0 dist 9.67557 6.53819 7.95579 9.9705 6.19965 4.26409 9.27584 5.08358 8.00777 7.1589 numMergedOcc 0
11 mol 85 unq 1 iso 0 dist 9.67557 6.53819 7.95579 15.3279 7.66905 10.7229 9.27584 5.08358 8.00777 11.2808 numMergedOcc 0
12 mol 85 unq 2 iso 0 dist 9.67557 9.9705 6.19965 6.53819 7.95579 4.26409 9.27584 5.08358 7.1589 8.00777 numMergedOcc 0
13 mol 85 unq 3 iso 0 dist 9.67557 9.9705 6.19965 15.3279 7.66905 6.9948 9.27584 5.08358 7.1589 11.2808 numMergedOcc 0
14 mol 100 unq 0 iso 0 dist 9.22737 12.9061 7.47343 6.60925 6.65086 8.8807 21.0071 14.9392 9.00544 17.8663 numMergedOcc 0
15 mol 100 unq 1 iso 0 dist 9.22737 12.9061 7.47343 6.60925 6.65086 8.8807 18.3923 12.6602 7.12017 12.6061 numMergedOcc 0
16 mol 100 unq 2 iso 0 dist 9.22737 12.9061 7.47343 4.95357 6.56369 12.6515 21.0071 14.9392 9.00544 20.2183 numMergedOcc 0
17 mol 100 unq 3 iso 0 dist 9.22737 12.9061 7.47343 4.95357 6.56369 12.6515 18.3923 12.6602 7.12017 18.4011 numMergedOcc 0
18 mol 100 unq 4 iso 0 dist 9.22737 12.9061 7.47343 5.05858 9.30209 13.887 21.0071 14.9392 9.00544 22.6977 numMergedOcc 0
19 mol 100 unq 5 iso 0 dist 9.22737 12.9061 7.47343 5.05858 9.30209 13.887 18.3923 12.6602 7.12017 17.8494 numMergedOcc 0
20 mol 112 unq 0 iso 0 dist 9.90769 13.4578 9.60462 6.69178 7.45389 7.05226 20.7339 17.3924 9.92283 14.242 numMergedOcc 0
21 mol 112 unq 1 iso 0 dist 9.90769 13.4578 9.60462 6.69178 7.45389 7.05226 10.9045 3.98564 7.23962 7.30204 numMergedOcc 0
22 mol 112 unq 2 iso 0 dist 9.90769 6.69178 7.45389 13.4578 9.60462 7.05226 10.9045 3.98564 7.30204 7.23962 numMergedOcc 0
23 mol 115 unq 0 iso 0 dist 7.9258 4.75197 5.83991 10.9791 9.33865 7.69052 9.32933 6.4497 5.72642 10.9734 numMergedOcc 0
24 mol 152 unq 0 iso 0 dist 8.41774 13.1435 8.56324 13.793 6.70283 7.65448 17.4405 9.35627 9.77552 8.28642 numMergedOcc 0
25 mol 152 unq 1 iso 0 dist 8.41774 13.1435 8.56324 11.2124 7.16148 10.6875 17.4405 9.35627 9.77552 13.1536 numMergedOcc 0
26 mol 152 unq 2 iso 0 dist 8.41774 13.793 6.70283 13.1435 8.56324 7.65448 17.4405 9.35627 8.28642 9.77552 numMergedOcc 0
27 mol 152 unq 3 iso 0 dist 8.41774 13.793 6.70283 11.2124 7.16148 5.49936 17.4405 9.35627 8.28642 13.1536 numMergedOcc 0
28 mol 205 unq 0 iso 0 dist 8.52924 7.17157 6.03031 11.993 7.26832 7.38516 13.2681 5.28092 8.44861 5.60393 numMergedOcc 0
29 mol 205 unq 1 iso 0 dist 8.52924 7.17157 6.03031 9.67882 7.80463 8.18714 13.2681 5.28092 8.44861 11.3521 numMergedOcc 0
30 mol 205 unq 2 iso 0 dist 8.52924 11.993 7.26832 7.17157 6.03031 7.38516 13.2681 5.28092 5.60393 8.44861 numMergedOcc 0
31 mol 205 unq 3 iso 0 dist 8.52924 11.993 7.26832 9.67882 7.80463 13.8543 13.2681 5.28092 5.60393 11.3521 numMergedOcc 0
32 mol 222 unq 0 iso 0 dist 6.77368 8.47937 6.00706 10.4837 7.54212 6.8425 10.9165 6.42798 7.862 12.5287 numMergedOcc 0
33 mol 222 unq 1 iso 0 dist 7.73634 4.81992 6.00706 9.69122 7.54212 6.8425 5.98014 6.42798 7.862 12.5287 numMergedOcc 0
34 mol 227 unq 0 iso 0 dist 8.27093 10.9396 7.22101 10.9533 7.09863 4.39704 13.2994 10.5813 8.03442 12.2278 numMergedOcc 0
35 mol 229 unq 0 iso 0 dist 8.83023 9.15968 7.03423 10.6678 9.06952 6.84129 16.592 9.62106 8.92743 9.45972 numMergedOcc 0
36 mol 236 unq 0 iso 0 dist 6.61371 9.63949 7.68742 5.03564 6.84306 7.28249 14.7009 9.05842 8.50331 11.9847 numMergedOcc 0
37 mol 236 unq 1 iso 0 dist 5.90804 7.45579 6.27581 13.6195 9.99038 7.28249 5.6241 7.00028 8.50331 11.9847 numMergedOcc 0
38 mol 258 unq 0 iso 0 dist 9.04358 8.81588 6.60405 5.90131 6.42289 7.26417 12.869 7.42673 6.70815 7.99477 numMergedOcc 0
39 mol 258 unq 1 iso 0 dist 9.04358 5.90131 6.42289 8.81588 6.60405 7.26417 12.869 7.42673 7.99477 6.70815 numMergedOcc 0
40 mol 258 unq 2 iso 0 dist 9.04358 5.90131 6.42289 8.81588 6.60405 7.26417 12.8643 6.44209 7.86627 11.184 numMergedOcc 0
