0 mol 66 unq 0 iso 0 dist 8.58798 8.89633 9.31938 12.7988 7.41815 6.85819 numMergedOcc 0
1 mol 99 unq 0 iso 0 dist 8.6659 7.05715 8.23566 12.4775 8.61334 6.81741 numMergedOcc 0
2 mol 114 unq 0 iso 0 dist 6.56066 13.1203 8.592 10.9532 7.22809 5.31281 numMergedOcc 0
3 mol 135 unq 0 iso 0 dist 8.8459 6.61263 7.54797 12.0679 7.45276 6.76073 numMergedOcc 0
4 mol 140 unq 0 iso 0 dist 8.6371 4.56374 9.74209 8.72216 5.00766 8.05043 numMergedOcc 0
5 mol 184 unq 0 iso 0 dist 8.45309 7.53305 5.13722 16.5304 12.9481 9.45847 numMergedOcc 0
6 mol 209 unq 0 iso 0 dist 8.31839 5.54639 8.40779 10.0581 5.59713 8.12883 numMergedOcc 0
7 mol 212 unq 0 iso 0 dist 9.88141 7.4422 6.41916 11.5639 4.78007 9.26387 numMergedOcc 0
8 mol 239 unq 0 iso 0 dist 9.85256 7.07676 8.78008 10.4134 10.1043 6.00654 numMergedOcc 0
9 mol 239 unq 1 iso 0 dist 9.26044 10.7857 8.33254 10.1672 7.88007 5.38325 numMergedOcc 0
10 mol 249 unq 0 iso 0 dist 8.27285 4.58432 5.66519 6.68963 6.59067 6.18866 numMergedOcc 0
11 mol 249 unq 1 iso 0 dist 8.27285 5.29321 6.50067 6.68963 6.59067 9.3807 numMergedOcc 0
12 mol 249 unq 2 iso 0 dist 6.23348 4.77887 6.04688 9.23283 6.13333 7.58833 numMergedOcc 0
13 mol 258 unq 0 iso 0 dist 6.81635 3.7042 9.26487 8.88518 11.1086 6.08181 numMergedOcc 0
14 mol 261 unq 0 iso 0 dist 7.22085 8.52263 9.64886 12.7072 9.836 6.41477 numMergedOcc 0
15 mol 265 unq 0 iso 0 dist 8.9413 6.97261 5.10595 8.43749 5.46523 4.03921 numMergedOcc 0
16 mol 274 unq 0 iso 0 dist 8.69635 4.33461 5.68643 7.14304 6.33183 7.21004 numMergedOcc 0
17 mol 274 unq 1 iso 0 dist 8.69635 4.33461 5.68643 11.6904 9.34663 8.75703 numMergedOcc 0
18 mol 274 unq 2 iso 0 dist 7.86884 14.4918 8.05503 19.9092 13.0534 6.12202 numMergedOcc 0
19 mol 280 unq 0 iso 0 dist 7.11605 11.1583 9.047 7.31523 6.12141 6.83927 numMergedOcc 0
20 mol 280 unq 1 iso 0 dist 7.11605 15.3737 9.9227 17.5279 10.5216 7.3304 numMergedOcc 0
