0 mol 30 unq 0 iso 0 dist 9.46542 9.83449 8.28568 11.2046 9.77521 15.6641 numMergedOcc 0
1 mol 37 unq 0 iso 0 dist 7.47638 9.15499 6.28359 11.746 5.98359 11.6521 numMergedOcc 0
2 mol 46 unq 0 iso 0 dist 9.30086 7.33624 11.846 8.83392 7.12259 14.2551 numMergedOcc 0
3 mol 66 unq 0 iso 0 dist 8.58798 6.32532 5.1493 8.89633 9.31938 11.4916 numMergedOcc 0
4 mol 68 unq 0 iso 0 dist 8.52142 8.8014 11.1122 9.80639 8.06263 13.15 numMergedOcc 0
5 mol 147 unq 0 iso 0 dist 7.52211 8.73613 11.4204 4.93601 4.95086 12.4196 numMergedOcc 0
6 mol 156 unq 0 iso 0 dist 6.36857 7.96394 4.77779 6.57004 9.15574 11.3222 numMergedOcc 0
7 mol 156 unq 1 iso 0 dist 6.36857 8.01381 11.3698 6.57004 9.15574 14.3914 numMergedOcc 0
8 mol 175 unq 0 iso 0 dist 9.81978 8.03208 6.48113 4.75899 9.70186 10.5474 numMergedOcc 0
9 mol 175 unq 1 iso 0 dist 9.81978 8.70409 9.62436 4.75899 9.70186 12.4319 numMergedOcc 0
10 mol 184 unq 0 iso 0 dist 8.45309 9.55112 10.5381 7.53305 5.13722 12.0359 numMergedOcc 0
11 mol 184 unq 1 iso 0 dist 8.45309 8.0343 7.10924 7.53305 5.13722 9.16535 numMergedOcc 0
12 mol 186 unq 0 iso 0 dist 8.41494 9.22792 9.09562 9.55305 8.09373 7.99933 numMergedOcc 0
13 mol 186 unq 1 iso 0 dist 8.41494 7.85696 8.66219 9.55305 8.09373 11.3366 numMergedOcc 0
14 mol 186 unq 2 iso 0 dist 8.41494 5.00402 9.20585 9.55305 8.09373 10.5943 numMergedOcc 0
15 mol 186 unq 3 iso 0 dist 8.41494 6.17773 9.53136 9.55305 8.09373 13.9338 numMergedOcc 0
16 mol 222 unq 0 iso 0 dist 8.37114 8.79662 5.13817 11.9532 9.5045 13.1173 numMergedOcc 0
17 mol 222 unq 1 iso 0 dist 8.37114 6.6497 4.54609 11.9532 9.5045 13.1334 numMergedOcc 0
18 mol 279 unq 0 iso 0 dist 5.90003 5.35326 5.03747 11.9206 7.88102 10.2668 numMergedOcc 0
19 mol 279 unq 1 iso 0 dist 5.90003 5.35326 5.03747 9.54906 7.93694 9.97712 numMergedOcc 0
