0 mol 4 unq 0 iso 0 dist 8.15534 5.12159 6.12485 10.1565 11.4817 9.65942 numMergedOcc 0
1 mol 4 unq 1 iso 0 dist 7.58769 5.12159 6.86951 10.1565 5.57524 9.65942 numMergedOcc 0
2 mol 10 unq 0 iso 0 dist 9.24292 8.58855 8.2106 12.7819 11.8048 8.64111 numMergedOcc 0
3 mol 34 unq 0 iso 0 dist 8.11297 10.0366 8.68012 5.55764 5.80848 8.95619 numMergedOcc 0
4 mol 43 unq 0 iso 0 dist 9.34433 5.9674 7.32913 10.128 11.0116 8.16387 numMergedOcc 0
5 mol 43 unq 1 iso 0 dist 5.63207 6.15285 7.32913 9.75898 11.0116 8.16387 numMergedOcc 0
6 mol 64 unq 0 iso 0 dist 9.5663 12.0987 5.66803 9.41957 8.45243 7.32896 numMergedOcc 0
7 mol 73 unq 0 iso 0 dist 9.23755 10.3397 7.58027 14.8536 12.136 9.84068 numMergedOcc 0
8 mol 73 unq 1 iso 0 dist 9.23755 8.31117 4.34694 14.8536 12.136 9.40167 numMergedOcc 0
9 mol 103 unq 0 iso 0 dist 5.8915 8.4824 6.56481 11.7177 8.17578 7.06817 numMergedOcc 0
10 mol 131 unq 0 iso 0 dist 5.33659 5.34994 6.08846 9.43494 5.77183 6.27699 numMergedOcc 0
11 mol 165 unq 0 iso 0 dist 7.22838 5.97663 6.85551 5.81507 5.54803 6.89325 numMergedOcc 0
12 mol 195 unq 0 iso 0 dist 8.3941 8.14211 5.61326 12.2257 10.5362 9.02695 numMergedOcc 0
13 mol 204 unq 0 iso 0 dist 9.32133 9.09362 6.62514 14.0013 4.82283 9.85636 numMergedOcc 0
14 mol 204 unq 1 iso 0 dist 6.58174 10.9794 6.20044 17.2512 10.7478 9.85636 numMergedOcc 0
15 mol 220 unq 0 iso 0 dist 5.60195 12.9073 8.57174 12.6719 8.20682 9.51136 numMergedOcc 0
16 mol 220 unq 1 iso 0 dist 7.87359 15.2936 8.57174 11.884 8.20682 9.51136 numMergedOcc 0
17 mol 225 unq 0 iso 0 dist 8.33143 8.88571 7.65121 10.99 4.37243 9.24959 numMergedOcc 0
18 mol 226 unq 0 iso 0 dist 8.64849 9.4366 8.52996 8.90583 4.1635 9.8349 numMergedOcc 0
19 mol 226 unq 1 iso 0 dist 8.64849 9.4366 8.52996 14.3472 9.6805 6.72708 numMergedOcc 0
20 mol 226 unq 2 iso 0 dist 8.64849 9.4366 8.52996 11.3115 6.06315 8.01046 numMergedOcc 0
21 mol 226 unq 3 iso 0 dist 6.3687 4.52889 8.74399 9.45587 12.0828 9.8349 numMergedOcc 0
22 mol 240 unq 0 iso 0 dist 7.84314 8.48707 7.19218 5.84605 6.7559 9.38691 numMergedOcc 0
23 mol 245 unq 0 iso 0 dist 8.03294 15.5115 7.95061 20.6233 12.8771 8.92774 numMergedOcc 0
24 mol 261 unq 0 iso 0 dist 6.93654 6.94755 6.0437 7.43425 7.35046 8.50063 numMergedOcc 0
25 mol 261 unq 1 iso 0 dist 9.66298 6.94755 4.85199 7.43425 7.98909 8.50063 numMergedOcc 0
26 mol 266 unq 0 iso 0 dist 7.72433 5.86368 6.57444 12.3079 5.46443 8.73645 numMergedOcc 0
