0 mol 26 unq 0 iso 0 dist 8.98417 8.67162 8.35396 12.1122 9.5053 9.12812 numMergedOcc 0
1 mol 45 unq 0 iso 0 dist 4.5673 5.27432 5.2315 8.72181 9.32898 10.7333 numMergedOcc 0
2 mol 73 unq 0 iso 0 dist 6.82707 8.15716 9.69315 10.7046 8.39326 12.9678 numMergedOcc 0
3 mol 73 unq 1 iso 0 dist 6.82707 8.15716 9.69315 12.2821 6.33741 11.2643 numMergedOcc 0
4 mol 73 unq 2 iso 0 dist 6.82707 15.2274 8.96327 10.7046 8.39326 13.9739 numMergedOcc 0
5 mol 73 unq 3 iso 0 dist 6.82707 15.2274 8.96327 12.2821 6.33741 5.47207 numMergedOcc 0
6 mol 105 unq 0 iso 0 dist 9.23757 5.27788 6.84656 11.0252 7.71923 6.08999 numMergedOcc 0
7 mol 114 unq 0 iso 0 dist 4.86767 5.27337 5.32751 8.16908 9.35942 11.064 numMergedOcc 0
8 mol 114 unq 1 iso 0 dist 4.86767 5.27337 5.32751 9.20674 7.42482 10.1476 numMergedOcc 0
9 mol 116 unq 0 iso 0 dist 8.03113 9.09763 9.28045 6.39362 8.79367 12.6546 numMergedOcc 0
10 mol 116 unq 1 iso 0 dist 9.2638 16.4013 9.28045 8.61652 8.79367 12.6546 numMergedOcc 0
11 mol 147 unq 0 iso 0 dist 8.40219 10.7517 6.75601 14.4753 7.25644 5.44624 numMergedOcc 0
12 mol 151 unq 0 iso 0 dist 9.15141 10.9078 7.80544 11.9665 4.74531 5.04333 numMergedOcc 0
13 mol 151 unq 1 iso 0 dist 9.15141 8.02445 5.59982 11.9665 4.74531 4.87853 numMergedOcc 0
14 mol 171 unq 0 iso 0 dist 6.4751 13.1082 6.73995 12.6565 7.32555 5.76368 numMergedOcc 0
15 mol 171 unq 1 iso 0 dist 6.4751 13.0534 8.619 12.6565 7.32555 10.8584 numMergedOcc 0
16 mol 232 unq 0 iso 0 dist 6.83927 9.84054 9.72906 4.127 7.38566 6.77056 numMergedOcc 0
17 mol 232 unq 1 iso 0 dist 9.25162 9.84054 6.02641 4.127 8.28466 6.77056 numMergedOcc 0
18 mol 247 unq 0 iso 0 dist 6.29945 11.0856 7.21548 8.87922 9.84493 16.3349 numMergedOcc 0
19 mol 282 unq 0 iso 0 dist 8.42086 13.09 9.87988 10.796 8.67489 5.50344 numMergedOcc 0
20 mol 282 unq 1 iso 0 dist 7.84236 14.0507 9.87988 13.26 8.67489 5.50344 numMergedOcc 0
