0 mol 25 unq 0 iso 0 dist 8.25357 9.36326 15.8444 4.93307 8.61491 9.71382 numMergedOcc 0
1 mol 34 unq 0 iso 0 dist 9.19554 9.95442 5.66686 4.38622 9.95325 10.8637 numMergedOcc 0
2 mol 62 unq 0 iso 0 dist 8.73923 8.74341 6.03786 7.86788 9.79863 13.152 numMergedOcc 0
3 mol 85 unq 0 iso 0 dist 6.27877 7.46478 12.8729 4.32784 9.18097 6.05495 numMergedOcc 0
4 mol 123 unq 0 iso 0 dist 7.99359 9.07289 7.32307 10.4757 9.04549 15.3016 numMergedOcc 0
5 mol 128 unq 0 iso 0 dist 8.20389 8.04178 10.8984 10.2009 6.51968 15.4673 numMergedOcc 0
6 mol 128 unq 1 iso 0 dist 8.20389 8.04178 10.8984 7.34304 7.61237 6.98158 numMergedOcc 0
7 mol 141 unq 0 iso 0 dist 5.68406 6.96294 6.55605 4.46354 8.46376 5.52683 numMergedOcc 0
8 mol 141 unq 1 iso 0 dist 9.46329 9.76389 6.55605 6.74216 8.46376 5.52683 numMergedOcc 0
9 mol 158 unq 0 iso 0 dist 9.94593 7.63085 10.405 6.99918 7.23059 9.6096 numMergedOcc 0
10 mol 184 unq 0 iso 0 dist 8.11014 4.54491 8.2618 6.01155 4.88303 6.44904 numMergedOcc 0
11 mol 239 unq 0 iso 0 dist 6.17408 5.75996 6.59614 12.4808 9.85821 14.6314 numMergedOcc 0
12 mol 239 unq 1 iso 0 dist 6.17602 7.44932 6.59614 13.9899 9.85821 14.6314 numMergedOcc 0
13 mol 266 unq 0 iso 0 dist 8.08479 8.91185 12.8542 6.33919 6.77259 13.496 numMergedOcc 0
14 mol 266 unq 1 iso 0 dist 8.08479 9.28273 5.18289 6.33919 6.77259 9.71152 numMergedOcc 0
15 mol 280 unq 0 iso 0 dist 7.61357 7.10608 5.97333 6.58462 7.42529 5.80452 numMergedOcc 0
16 mol 280 unq 1 iso 0 dist 7.61357 7.22993 11.9982 6.58462 7.42529 7.82157 numMergedOcc 0
17 mol 280 unq 2 iso 0 dist 8.67836 7.10608 12.0122 10.0954 8.47055 16.2217 numMergedOcc 0
18 mol 280 unq 3 iso 0 dist 8.67836 7.22993 15.3317 10.0954 8.47055 16.9668 numMergedOcc 0
19 mol 292 unq 0 iso 0 dist 8.60635 9.97399 9.01459 6.25614 8.67838 5.7131 numMergedOcc 0
