0 mol 14 unq 0 iso 0 dist 6.11408 5.80918 8.51178 8.54362 8.66151 8.23238 numMergedOcc 0
1 mol 36 unq 0 iso 0 dist 8.9566 5.57356 5.83354 8.61422 6.03866 8.97567 numMergedOcc 0
2 mol 36 unq 1 iso 0 dist 9.98689 6.76635 8.47497 8.9353 8.02028 9.96441 numMergedOcc 0
3 mol 36 unq 2 iso 0 dist 4.10339 5.19317 5.83354 6.6055 6.03866 8.97567 numMergedOcc 0
4 mol 102 unq 0 iso 0 dist 6.37194 6.44938 8.63522 10.9426 6.04036 9.49592 numMergedOcc 0
5 mol 102 unq 1 iso 0 dist 6.37194 6.57608 5.43401 10.9426 6.04036 5.88034 numMergedOcc 0
6 mol 114 unq 0 iso 0 dist 9.15982 14.0132 9.6874 14.2772 5.72803 8.2575 numMergedOcc 0
7 mol 133 unq 0 iso 0 dist 9.89671 9.76471 7.96689 14.5859 11.8581 6.30568 numMergedOcc 0
8 mol 165 unq 0 iso 0 dist 3.87901 9.24409 8.2197 6.74196 4.89071 5.03758 numMergedOcc 0
9 mol 165 unq 1 iso 0 dist 3.87901 9.24409 8.2197 8.97737 6.22764 4.63353 numMergedOcc 0
10 mol 165 unq 2 iso 0 dist 5.04534 6.58447 8.2197 6.72652 4.89071 5.03758 numMergedOcc 0
11 mol 165 unq 3 iso 0 dist 5.04534 6.58447 8.2197 6.4503 6.22764 4.63353 numMergedOcc 0
12 mol 184 unq 0 iso 0 dist 9.0757 16.3549 9.45847 8.20517 4.75805 8.98606 numMergedOcc 0
13 mol 184 unq 1 iso 0 dist 9.39563 3.95306 9.45847 9.15923 4.75805 8.98606 numMergedOcc 0
14 mol 184 unq 2 iso 0 dist 7.51045 9.14602 9.45847 6.03505 4.75805 8.98606 numMergedOcc 0
15 mol 211 unq 0 iso 0 dist 5.02094 9.43858 9.8921 14.7622 14.4494 8.13147 numMergedOcc 0
16 mol 259 unq 0 iso 0 dist 9.49732 17.4311 8.91916 22.0325 15.0418 8.75224 numMergedOcc 0
17 mol 260 unq 0 iso 0 dist 9.94532 5.75427 8.13696 10.8733 6.61744 8.43724 numMergedOcc 0
18 mol 285 unq 0 iso 0 dist 9.03396 6.59466 8.08495 6.41777 4.39911 7.9002 numMergedOcc 0
19 mol 285 unq 1 iso 0 dist 4.09984 9.64395 8.70702 6.41777 5.42273 8.26827 numMergedOcc 0
20 mol 285 unq 2 iso 0 dist 4.09984 6.59466 9.3482 6.41777 5.42273 7.9002 numMergedOcc 0
