0 mol 12 unq 0 iso 0 dist 4.62913 7.44542 10.1259 7.18195 5.9021 12.2342 4.60834 6.6051 8.15864 4.86727 numMergedOcc 0
1 mol 12 unq 1 iso 0 dist 4.62913 7.44542 10.1259 6.70723 8.98466 12.3593 4.60834 6.6051 8.15864 10.763 numMergedOcc 0
2 mol 87 unq 0 iso 0 dist 9.4868 6.97882 5.38943 11.254 9.10245 12.3515 6.27329 5.63748 5.62336 7.43534 numMergedOcc 0
3 mol 123 unq 0 iso 0 dist 8.56386 7.15869 13.8924 14.7054 9.86842 20.3815 8.29205 16.4286 9.92281 21.1751 numMergedOcc 0
4 mol 133 unq 0 iso 0 dist 7.67877 5.01269 5.13345 7.25115 7.96689 9.6582 6.65104 12.0283 9.23104 12.4825 numMergedOcc 0
5 mol 133 unq 1 iso 0 dist 7.67877 5.01269 5.13345 6.02631 4.83134 5.17734 6.65104 12.0283 9.23104 7.75771 numMergedOcc 0
6 mol 133 unq 2 iso 0 dist 9.96416 7.17051 12.1681 8.58899 9.07294 7.50126 5.9683 5.79195 9.2759 5.35551 numMergedOcc 0
7 mol 133 unq 3 iso 0 dist 9.96416 5.9962 9.34083 8.58899 9.07294 12.8985 5.9683 5.79195 8.76088 5.35551 numMergedOcc 0
8 mol 133 unq 4 iso 0 dist 7.17051 9.96416 12.1681 5.80658 5.12189 14.2037 5.9683 9.2759 5.79195 10.8516 numMergedOcc 0
9 mol 133 unq 5 iso 0 dist 7.17051 9.96416 12.1681 8.58899 7.50126 9.07294 5.9683 9.2759 5.79195 5.35551 numMergedOcc 0
10 mol 133 unq 6 iso 0 dist 7.17051 5.9962 11.2107 5.80658 5.12189 9.428 5.9683 9.2759 8.76088 10.8516 numMergedOcc 0
11 mol 133 unq 7 iso 0 dist 7.17051 5.9962 11.2107 8.58899 7.50126 12.8985 5.9683 9.2759 8.76088 5.35551 numMergedOcc 0
12 mol 271 unq 0 iso 0 dist 9.80493 6.75395 5.54816 13.1235 8.07242 12.578 5.60228 13.9636 9.50884 17.8424 numMergedOcc 0
13 mol 279 unq 0 iso 0 dist 6.70261 9.56601 6.22487 6.00582 7.319 12.6224 12.0471 12.7328 8.03486 17.4155 numMergedOcc 0
14 mol 279 unq 1 iso 0 dist 6.70261 9.56601 6.22487 6.17316 6.12742 5.78017 12.0471 12.7328 8.03486 7.78018 numMergedOcc 0
15 mol 279 unq 2 iso 0 dist 6.70261 9.56601 6.22487 8.96297 9.45886 10.7201 12.0471 12.7328 8.03486 11.2961 numMergedOcc 0
16 mol 280 unq 0 iso 0 dist 7.78355 6.0218 10.2247 10.0698 6.83927 14.6209 4.65268 11.6621 4.45141 14.0927 numMergedOcc 0
17 mol 283 unq 0 iso 0 dist 8.43009 8.89292 7.89565 5.51524 8.3815 12.6739 4.02114 5.71075 9.28067 4.87508 numMergedOcc 0
18 mol 283 unq 1 iso 0 dist 8.43009 8.89292 7.89565 11.6321 7.13925 12.7264 4.02114 5.71075 9.28067 7.75306 numMergedOcc 0
19 mol 293 unq 0 iso 0 dist 6.83404 7.67909 5.34794 8.01733 8.42712 12.8233 5.86662 6.42608 7.41524 8.14268 numMergedOcc 0
20 mol 293 unq 1 iso 0 dist 6.04186 4.66962 8.64916 11.3134 8.8788 14.3001 4.13058 9.91172 6.52889 13.0214 numMergedOcc 0
21 mol 294 unq 0 iso 0 dist 8.55037 5.71656 13.7241 7.77878 8.0661 13.1418 8.43044 15.006 9.22572 10.5293 numMergedOcc 0
