0 mol 12 unq 0 iso 0 dist 4.62913 7.44542 10.1259 7.18195 5.9021 12.2342 numMergedOcc 0
1 mol 12 unq 1 iso 0 dist 4.62913 7.44542 10.1259 6.70723 8.98466 12.3593 numMergedOcc 0
2 mol 87 unq 0 iso 0 dist 9.4868 6.97882 5.38943 11.254 9.10245 12.3515 numMergedOcc 0
3 mol 123 unq 0 iso 0 dist 8.56386 7.15869 13.8924 14.7054 9.86842 20.3815 numMergedOcc 0
4 mol 127 unq 0 iso 0 dist 5.52891 8.58317 6.87199 3.94367 8.98151 12.2655 numMergedOcc 0
5 mol 133 unq 0 iso 0 dist 7.67877 5.01269 5.13345 7.25115 7.96689 9.6582 numMergedOcc 0
6 mol 133 unq 1 iso 0 dist 7.67877 5.01269 5.13345 6.02631 4.83134 5.17734 numMergedOcc 0
7 mol 133 unq 2 iso 0 dist 5.01269 7.67877 5.13345 7.25115 9.6582 7.96689 numMergedOcc 0
8 mol 133 unq 3 iso 0 dist 5.01269 7.67877 5.13345 6.02631 5.17734 4.83134 numMergedOcc 0
9 mol 133 unq 4 iso 0 dist 9.96416 7.17051 12.1681 8.58899 9.07294 7.50126 numMergedOcc 0
10 mol 133 unq 5 iso 0 dist 9.96416 5.9962 9.34083 8.58899 9.07294 12.8985 numMergedOcc 0
11 mol 133 unq 6 iso 0 dist 7.17051 9.96416 12.1681 5.80658 5.12189 14.2037 numMergedOcc 0
12 mol 133 unq 7 iso 0 dist 7.17051 9.96416 12.1681 8.58899 7.50126 9.07294 numMergedOcc 0
13 mol 133 unq 8 iso 0 dist 7.17051 5.9962 11.2107 5.80658 5.12189 9.428 numMergedOcc 0
14 mol 133 unq 9 iso 0 dist 7.17051 5.9962 11.2107 8.58899 7.50126 12.8985 numMergedOcc 0
15 mol 163 unq 0 iso 0 dist 8.66172 6.89529 15.2428 10.2273 9.85967 14.995 numMergedOcc 0
16 mol 219 unq 0 iso 0 dist 8.55971 7.26376 10.4254 5.67196 9.09462 12.5807 numMergedOcc 0
17 mol 219 unq 1 iso 0 dist 7.26376 8.55971 10.4254 6.90398 4.67452 12.0262 numMergedOcc 0
18 mol 244 unq 0 iso 0 dist 9.53211 9.57082 17.8037 13.7123 6.51428 23.0134 numMergedOcc 0
19 mol 254 unq 0 iso 0 dist 5.17988 8.76115 9.90149 5.24816 9.36171 7.53352 numMergedOcc 0
20 mol 254 unq 1 iso 0 dist 5.17988 8.76115 9.90149 4.6577 7.87218 12.5695 numMergedOcc 0
21 mol 254 unq 2 iso 0 dist 8.76115 5.17988 9.90149 5.24816 7.53352 9.36171 numMergedOcc 0
22 mol 254 unq 3 iso 0 dist 8.76115 5.17988 9.90149 9.11887 7.80793 13.4236 numMergedOcc 0
23 mol 271 unq 0 iso 0 dist 9.80493 6.75395 5.54816 13.1235 8.07242 12.578 numMergedOcc 0
24 mol 279 unq 0 iso 0 dist 9.56601 6.70261 6.22487 6.17316 5.78017 6.12742 numMergedOcc 0
25 mol 279 unq 1 iso 0 dist 9.56601 6.70261 6.22487 13.1019 8.78203 13.8375 numMergedOcc 0
26 mol 279 unq 2 iso 0 dist 6.70261 9.56601 6.22487 6.00582 7.319 12.6224 numMergedOcc 0
27 mol 279 unq 3 iso 0 dist 6.70261 9.56601 6.22487 6.17316 6.12742 5.78017 numMergedOcc 0
28 mol 279 unq 4 iso 0 dist 6.70261 9.56601 6.22487 8.96297 9.45886 10.7201 numMergedOcc 0
29 mol 280 unq 0 iso 0 dist 7.78355 6.0218 10.2247 10.0698 6.83927 14.6209 numMergedOcc 0
30 mol 283 unq 0 iso 0 dist 8.43009 8.89292 7.89565 5.51524 8.3815 12.6739 numMergedOcc 0
31 mol 283 unq 1 iso 0 dist 8.43009 8.89292 7.89565 11.6321 7.13925 12.7264 numMergedOcc 0
32 mol 293 unq 0 iso 0 dist 6.83404 7.67909 5.34794 8.01733 8.42712 12.8233 numMergedOcc 0
33 mol 293 unq 1 iso 0 dist 6.04186 6.97887 7.34816 11.3134 8.8788 10.5132 numMergedOcc 0
34 mol 293 unq 2 iso 0 dist 6.04186 4.66962 8.64916 11.3134 8.8788 14.3001 numMergedOcc 0
35 mol 294 unq 0 iso 0 dist 8.55037 5.71656 13.7241 7.77878 8.0661 13.1418 numMergedOcc 0
