0 mol 6 unq 0 iso 0 dist 8.30543 8.70244 11.7227 5.89121 8.31647 14.298 numMergedOcc 0
1 mol 10 unq 0 iso 0 dist 9.1125 9.03002 6.48748 4.55975 8.03458 10.6557 numMergedOcc 0
2 mol 10 unq 1 iso 0 dist 9.1125 9.03002 6.48748 11.8229 8.2106 13.3795 numMergedOcc 0
3 mol 12 unq 0 iso 0 dist 4.62913 7.8865 6.98179 4.60834 6.6051 9.75368 numMergedOcc 0
4 mol 12 unq 1 iso 0 dist 7.44542 7.8865 6.9065 4.60834 8.15864 9.75368 numMergedOcc 0
5 mol 35 unq 0 iso 0 dist 6.16132 9.466 8.72582 4.50401 5.28675 9.50235 numMergedOcc 0
6 mol 51 unq 0 iso 0 dist 8.55004 7.12423 13.4355 7.24502 8.84151 13.4686 numMergedOcc 0
7 mol 62 unq 0 iso 0 dist 9.65672 8.1599 10.894 14.3275 9.11512 18.5792 numMergedOcc 0
8 mol 63 unq 0 iso 0 dist 9.1662 8.94945 7.01367 3.86843 6.49343 5.41831 numMergedOcc 0
9 mol 67 unq 0 iso 0 dist 8.34804 9.46247 11 10.7182 8.27009 17.692 numMergedOcc 0
10 mol 67 unq 1 iso 0 dist 8.34804 9.46247 11 5.66613 5.80736 12.0054 numMergedOcc 0
11 mol 71 unq 0 iso 0 dist 8.39608 7.35142 5.87956 3.91691 8.92529 10.2053 numMergedOcc 0
12 mol 71 unq 1 iso 0 dist 7.28815 9.50139 5.87956 10.1018 8.92529 10.2053 numMergedOcc 0
13 mol 75 unq 0 iso 0 dist 5.01633 6.95595 5.56574 4.18109 8.25597 9.20448 numMergedOcc 0
14 mol 75 unq 1 iso 0 dist 5.01633 6.95595 5.56574 4.01868 4.76466 6.96759 numMergedOcc 0
15 mol 75 unq 2 iso 0 dist 5.01633 6.95595 5.56574 6.54389 8.67172 6.97318 numMergedOcc 0
16 mol 101 unq 0 iso 0 dist 7.22737 5.22543 4.51951 6.01775 7.1859 8.65215 numMergedOcc 0
17 mol 103 unq 0 iso 0 dist 6.36357 4.99966 5.54757 10.4989 6.79959 11.8191 numMergedOcc 0
18 mol 129 unq 0 iso 0 dist 7.13958 9.28278 4.80675 4.74644 7.6453 8.00624 numMergedOcc 0
19 mol 129 unq 1 iso 0 dist 7.13958 8.78082 7.01358 4.74644 7.6453 8.42289 numMergedOcc 0
20 mol 132 unq 0 iso 0 dist 7.16287 8.7366 10.0823 4.21327 6.94745 11.9102 numMergedOcc 0
21 mol 139 unq 0 iso 0 dist 5.77343 6.34417 4.78289 4.19005 8.78382 8.96275 numMergedOcc 0
22 mol 176 unq 0 iso 0 dist 6.9705 9.66407 5.17719 4.84752 7.98755 8.93118 numMergedOcc 0
23 mol 187 unq 0 iso 0 dist 5.82577 9.36086 4.98423 10.7172 5.58167 6.82787 numMergedOcc 0
24 mol 187 unq 1 iso 0 dist 5.82577 9.36086 4.98423 4.75665 8.0501 12.7503 numMergedOcc 0
25 mol 229 unq 0 iso 0 dist 5.75755 8.6537 12.696 3.99138 7.39596 12.0016 numMergedOcc 0
26 mol 229 unq 1 iso 0 dist 5.75755 8.75374 11.2019 3.99138 7.39596 12.1944 numMergedOcc 0
27 mol 229 unq 2 iso 0 dist 5.75755 7.10634 6.73193 3.99138 7.39596 9.40032 numMergedOcc 0
28 mol 229 unq 3 iso 0 dist 5.75755 5.57702 6.44004 3.99138 7.39596 9.49008 numMergedOcc 0
29 mol 236 unq 0 iso 0 dist 8.20542 5.66569 10.2557 4.60599 8.63249 5.90804 numMergedOcc 0
30 mol 236 unq 1 iso 0 dist 5.6568 6.11137 6.49831 4.24722 7.74348 5.90804 numMergedOcc 0
31 mol 236 unq 2 iso 0 dist 5.6568 7.89744 6.81625 4.24722 7.74348 10.7277 numMergedOcc 0
32 mol 250 unq 0 iso 0 dist 5.43868 9.16048 6.52586 9.96947 8.51703 10.8131 numMergedOcc 0
33 mol 250 unq 1 iso 0 dist 9.80833 9.16048 6.44136 9.96947 5.07895 10.8131 numMergedOcc 0
34 mol 258 unq 0 iso 0 dist 9.52903 5.73834 9.78068 5.66907 8.10903 9.04358 numMergedOcc 0
35 mol 258 unq 1 iso 0 dist 9.52903 5.73834 9.78068 9.6053 7.25618 10.0455 numMergedOcc 0
36 mol 259 unq 0 iso 0 dist 8.06908 9.54857 6.18571 5.99165 8.54422 13.119 numMergedOcc 0
37 mol 259 unq 1 iso 0 dist 8.06908 9.54857 6.18571 4.78344 7.67473 10.895 numMergedOcc 0
38 mol 265 unq 0 iso 0 dist 9.81689 7.04833 10.4495 10.531 7.52632 14.5863 numMergedOcc 0
39 mol 266 unq 0 iso 0 dist 7.51446 8.12852 9.80419 9.47559 9.39714 16.6569 numMergedOcc 0
40 mol 271 unq 0 iso 0 dist 6.75395 9.56149 7.30308 5.60228 9.50884 9.42899 numMergedOcc 0
41 mol 274 unq 0 iso 0 dist 6.28023 9.09967 5.7574 5.02003 9.34051 13.1113 numMergedOcc 0
42 mol 274 unq 1 iso 0 dist 6.28023 8.49076 7.23876 5.02003 9.34051 8.88221 numMergedOcc 0
43 mol 277 unq 0 iso 0 dist 6.70414 9.29635 5.77904 12.5633 8.15119 4.81916 numMergedOcc 0
44 mol 287 unq 0 iso 0 dist 7.47179 7.26542 5.10722 6.53276 6.45597 9.32175 numMergedOcc 0
45 mol 288 unq 0 iso 0 dist 7.47179 7.26542 5.10722 6.53276 6.45597 9.32175 numMergedOcc 0
46 mol 289 unq 0 iso 0 dist 7.47179 7.26542 5.10722 6.53276 6.45597 9.32175 numMergedOcc 0
47 mol 293 unq 0 iso 0 dist 4.66962 9.55282 8.36783 4.13058 6.52889 13.2949 numMergedOcc 0
48 mol 293 unq 1 iso 0 dist 4.66962 6.27435 9.51167 4.13058 6.52889 9.25564 numMergedOcc 0
49 mol 293 unq 2 iso 0 dist 6.04186 9.55282 6.91752 6.74585 4.72125 11.5814 numMergedOcc 0
50 mol 293 unq 3 iso 0 dist 6.04186 6.27435 5.66805 6.74585 4.72125 5.44043 numMergedOcc 0
