0 mol 7 unq 0 iso 0 dist 5.51421 6.769 6.8464 11.3302 7.15287 7.38748 numMergedOcc 0
1 mol 7 unq 1 iso 0 dist 7.81271 6.769 9.15183 11.3302 7.8893 7.38748 numMergedOcc 0
2 mol 9 unq 0 iso 0 dist 6.51397 9.39983 5.24341 16.7851 13.1565 8.01055 numMergedOcc 0
3 mol 9 unq 1 iso 0 dist 6.51397 11.0466 7.67661 16.7851 13.1565 8.61976 numMergedOcc 0
4 mol 12 unq 0 iso 0 dist 7.8865 4.60834 9.75368 4.62913 6.98179 6.6051 numMergedOcc 0
5 mol 12 unq 1 iso 0 dist 7.8865 4.60834 9.75368 7.44542 6.9065 8.15864 numMergedOcc 0
6 mol 43 unq 0 iso 0 dist 8.38387 4.99287 8.03754 13.404 14.9082 8.84944 numMergedOcc 0
7 mol 43 unq 1 iso 0 dist 8.38387 4.99287 8.03754 10.0846 4.80528 7.21995 numMergedOcc 0
8 mol 63 unq 0 iso 0 dist 8.94945 3.86843 5.41831 9.1662 7.01367 6.49343 numMergedOcc 0
9 mol 63 unq 1 iso 0 dist 8.94945 3.86843 5.41831 11.6253 6.60684 9.78739 numMergedOcc 0
10 mol 64 unq 0 iso 0 dist 8.99491 4.69203 8.75668 12.7747 15.4665 8.52643 numMergedOcc 0
11 mol 64 unq 1 iso 0 dist 8.99491 4.69203 8.75668 9.67624 9.95527 5.41357 numMergedOcc 0
12 mol 69 unq 0 iso 0 dist 5.47319 4.2124 7.25721 10.5634 7.88096 9.32184 numMergedOcc 0
13 mol 75 unq 0 iso 0 dist 6.95595 4.18109 9.20448 5.01633 5.56574 8.25597 numMergedOcc 0
14 mol 75 unq 1 iso 0 dist 6.95595 4.01868 6.96759 5.01633 5.56574 4.76466 numMergedOcc 0
15 mol 75 unq 2 iso 0 dist 6.95595 6.54389 6.97318 5.01633 5.56574 8.67172 numMergedOcc 0
16 mol 101 unq 0 iso 0 dist 5.22543 6.01775 8.65215 7.22737 4.51951 7.1859 numMergedOcc 0
17 mol 129 unq 0 iso 0 dist 9.28278 4.74644 8.00624 7.13958 4.80675 7.6453 numMergedOcc 0
18 mol 129 unq 1 iso 0 dist 8.78082 4.74644 8.42289 7.13958 7.01358 7.6453 numMergedOcc 0
19 mol 133 unq 0 iso 0 dist 5.86531 4.98521 9.47554 13.5394 17.2988 8.8353 numMergedOcc 0
20 mol 152 unq 0 iso 0 dist 8.07256 4.81561 8.41774 13.241 14.069 9.65031 numMergedOcc 0
21 mol 152 unq 1 iso 0 dist 8.07256 4.81561 8.41774 10.363 4.46956 8.51844 numMergedOcc 0
22 mol 176 unq 0 iso 0 dist 7.30954 14.7871 8.02366 16.204 11.6341 7.98755 numMergedOcc 0
23 mol 176 unq 1 iso 0 dist 9.66407 4.84752 8.93118 6.9705 5.17719 7.98755 numMergedOcc 0
24 mol 181 unq 0 iso 0 dist 7.41378 4.82806 4.71906 11.8366 4.681 8.92801 numMergedOcc 0
25 mol 187 unq 0 iso 0 dist 9.36086 10.7172 6.82787 5.82577 4.98423 5.58167 numMergedOcc 0
26 mol 224 unq 0 iso 0 dist 8.46129 6.32111 8.80858 12.9254 16.607 8.8113 numMergedOcc 0
27 mol 226 unq 0 iso 0 dist 7.117 4.00573 5.90092 11.34 9.00536 8.52996 numMergedOcc 0
28 mol 229 unq 0 iso 0 dist 7.10634 3.99138 9.40032 5.75755 6.73193 7.39596 numMergedOcc 0
29 mol 236 unq 0 iso 0 dist 5.66569 4.60599 5.90804 8.20542 10.2557 8.63249 numMergedOcc 0
30 mol 236 unq 1 iso 0 dist 5.66569 4.60599 5.90804 9.73914 6.49831 7.74348 numMergedOcc 0
31 mol 236 unq 2 iso 0 dist 6.11137 4.24722 5.90804 12.2537 10.2557 8.63249 numMergedOcc 0
32 mol 236 unq 3 iso 0 dist 6.11137 4.24722 5.90804 5.6568 6.49831 7.74348 numMergedOcc 0
33 mol 244 unq 0 iso 0 dist 7.65388 8.49995 9.21656 14.3026 10.5547 7.79787 numMergedOcc 0
34 mol 258 unq 0 iso 0 dist 9.59174 9.2365 7.57187 13.2187 5.57797 6.33567 numMergedOcc 0
35 mol 258 unq 1 iso 0 dist 5.73834 5.66907 9.04358 9.52903 9.78068 8.10903 numMergedOcc 0
36 mol 271 unq 0 iso 0 dist 9.56149 5.60228 9.42899 6.75395 7.30308 9.50884 numMergedOcc 0
37 mol 274 unq 0 iso 0 dist 8.49076 5.02003 8.88221 6.28023 7.23876 9.34051 numMergedOcc 0
38 mol 277 unq 0 iso 0 dist 9.29635 12.5633 4.81916 16.5458 7.44724 6.66936 numMergedOcc 0
39 mol 277 unq 1 iso 0 dist 9.29635 12.5633 4.81916 6.70414 5.77904 8.15119 numMergedOcc 0
40 mol 287 unq 0 iso 0 dist 9.53313 8.80315 9.32175 12.8163 5.25077 9.18785 numMergedOcc 0
41 mol 287 unq 1 iso 0 dist 9.53313 8.80315 9.32175 10.8483 5.10722 6.45597 numMergedOcc 0
42 mol 287 unq 2 iso 0 dist 7.26542 6.53276 9.32175 10.6184 5.25077 9.18785 numMergedOcc 0
43 mol 287 unq 3 iso 0 dist 7.26542 6.53276 9.32175 7.47179 5.10722 6.45597 numMergedOcc 0
44 mol 288 unq 0 iso 0 dist 9.53313 8.80315 9.32175 12.8163 5.25077 9.18785 numMergedOcc 0
45 mol 288 unq 1 iso 0 dist 9.53313 8.80315 9.32175 10.8483 5.10722 6.45597 numMergedOcc 0
46 mol 288 unq 2 iso 0 dist 7.26542 6.53276 9.32175 10.6184 5.25077 9.18785 numMergedOcc 0
47 mol 288 unq 3 iso 0 dist 7.26542 6.53276 9.32175 7.47179 5.10722 6.45597 numMergedOcc 0
48 mol 289 unq 0 iso 0 dist 9.53313 8.80315 9.32175 12.8163 5.25077 9.18785 numMergedOcc 0
49 mol 289 unq 1 iso 0 dist 9.53313 8.80315 9.32175 10.8483 5.10722 6.45597 numMergedOcc 0
50 mol 289 unq 2 iso 0 dist 7.26542 6.53276 9.32175 10.6184 5.25077 9.18785 numMergedOcc 0
51 mol 289 unq 3 iso 0 dist 7.26542 6.53276 9.32175 7.47179 5.10722 6.45597 numMergedOcc 0
52 mol 293 unq 0 iso 0 dist 6.27435 6.74585 5.44043 6.04186 5.66805 4.72125 numMergedOcc 0
53 mol 293 unq 1 iso 0 dist 6.27435 6.74585 5.44043 13.0622 8.15525 7.41524 numMergedOcc 0
54 mol 293 unq 2 iso 0 dist 6.27435 6.74585 5.44043 11.8289 9.35524 6.42608 numMergedOcc 0
55 mol 293 unq 3 iso 0 dist 6.27435 4.13058 9.25564 4.66962 9.51167 6.52889 numMergedOcc 0
