0 mol 2 unq 0 iso 0 dist 6.53554 9.71702 8.16405 5.74846 8.52972 13.5077 numMergedOcc 0
1 mol 20 unq 0 iso 0 dist 9.01542 6.86736 11.5288 9.0017 16.0772 5.51967 numMergedOcc 0
2 mol 20 unq 1 iso 0 dist 9.01542 8.17383 9.3565 9.0017 16.0772 9.92805 numMergedOcc 0
3 mol 59 unq 0 iso 0 dist 8.72277 9.57333 3.71022 6.10199 4.50866 3.68327 numMergedOcc 0
4 mol 62 unq 0 iso 0 dist 4.82525 6.34085 5.55523 5.83263 8.03385 4.32751 numMergedOcc 0
5 mol 62 unq 1 iso 0 dist 4.82525 6.48274 7.45016 5.83263 8.03385 4.83294 numMergedOcc 0
6 mol 62 unq 2 iso 0 dist 9.46326 6.34085 6.48285 5.83263 8.61806 4.32751 numMergedOcc 0
7 mol 62 unq 3 iso 0 dist 9.46326 6.48274 3.87676 5.83263 8.61806 4.83294 numMergedOcc 0
8 mol 81 unq 0 iso 0 dist 7.22811 8.5843 5.1117 8.36954 6.05544 3.57472 numMergedOcc 0
9 mol 81 unq 1 iso 0 dist 6.32371 8.5843 6.06185 8.36954 4.45069 3.57472 numMergedOcc 0
10 mol 91 unq 0 iso 0 dist 9.24615 7.77766 3.77425 5.16779 5.833 3.57191 numMergedOcc 0
11 mol 113 unq 0 iso 0 dist 8.34228 5.9758 12.1559 8.46167 12.55 13.5955 numMergedOcc 0
12 mol 113 unq 1 iso 0 dist 8.34228 5.9758 12.1559 6.13175 10.1562 11.746 numMergedOcc 0
13 mol 113 unq 2 iso 0 dist 8.34228 5.9758 12.1559 4.34107 6.82721 9.9322 numMergedOcc 0
14 mol 131 unq 0 iso 0 dist 9.28351 9.68242 10.2729 7.02043 6.03606 4.60864 numMergedOcc 0
15 mol 184 unq 0 iso 0 dist 5.50176 8.38137 9.96392 8.04472 3.07409 12.8344 numMergedOcc 0
16 mol 184 unq 1 iso 0 dist 5.50176 8.38137 9.96392 5.62851 6.87402 4.12242 numMergedOcc 0
17 mol 184 unq 2 iso 0 dist 7.89726 8.38137 5.65874 8.04472 8.40636 12.8344 numMergedOcc 0
18 mol 184 unq 3 iso 0 dist 7.89726 8.38137 5.65874 5.62851 4.1284 4.12242 numMergedOcc 0
19 mol 252 unq 0 iso 0 dist 8.80157 7.89384 9.96528 9.84342 6.23428 12.0443 numMergedOcc 0
20 mol 252 unq 1 iso 0 dist 8.80157 7.89384 9.96528 8.63893 13.3681 3.99887 numMergedOcc 0
21 mol 257 unq 0 iso 0 dist 7.01576 8.48733 3.76517 8.86142 5.43533 8.63927 numMergedOcc 0
22 mol 258 unq 0 iso 0 dist 5.65536 5.96512 3.63667 8.27566 8.37797 5.18533 numMergedOcc 0
23 mol 261 unq 0 iso 0 dist 5.06635 9.53126 7.95842 7.8647 7.13646 6.46193 numMergedOcc 0
24 mol 292 unq 0 iso 0 dist 8.91842 8.22213 12.5915 9.66129 6.23192 9.68489 numMergedOcc 0
