0 mol 7 unq 0 iso 0 dist 8.94874 8.19144 9.17096 13.8023 7.5298 15.8199 numMergedOcc 0
1 mol 18 unq 0 iso 0 dist 6.72533 8.95294 9.13179 5.79834 8.29216 7.19022 numMergedOcc 0
2 mol 18 unq 1 iso 0 dist 8.29216 7.19022 9.13179 5.79834 6.72533 8.95294 numMergedOcc 0
3 mol 71 unq 0 iso 0 dist 4.87423 8.05492 8.13095 6.17026 6.71332 13.6426 numMergedOcc 0
4 mol 71 unq 1 iso 0 dist 4.87423 8.05492 8.13095 3.843 4.76283 9.27619 numMergedOcc 0
5 mol 71 unq 2 iso 0 dist 4.76283 9.27619 8.13095 5.76061 6.71332 13.6426 numMergedOcc 0
6 mol 71 unq 3 iso 0 dist 4.76283 9.27619 8.13095 3.843 4.87423 8.05492 numMergedOcc 0
7 mol 71 unq 4 iso 0 dist 7.86678 6.88394 6.56561 11.3476 9.27229 14.6469 numMergedOcc 0
8 mol 130 unq 0 iso 0 dist 8.26291 6.16039 12.2551 13.7304 7.86001 17.3903 numMergedOcc 0
9 mol 142 unq 0 iso 0 dist 5.1557 9.93184 7.02723 10.9934 9.5355 15.4485 numMergedOcc 0
10 mol 156 unq 0 iso 0 dist 6.67598 9.40225 10.3893 14.2743 8.34508 16.1608 numMergedOcc 0
11 mol 193 unq 0 iso 0 dist 9.16852 9.42057 14.5828 8.50438 8.6538 17.6825 numMergedOcc 0
12 mol 193 unq 1 iso 0 dist 9.16852 9.42057 14.5828 13.1729 5.19654 19.5463 numMergedOcc 0
13 mol 193 unq 2 iso 0 dist 5.19654 8.52642 10.9221 13.1729 9.16852 20.0665 numMergedOcc 0
14 mol 193 unq 3 iso 0 dist 5.19654 8.52642 10.9221 8.96814 8.6538 17.4023 numMergedOcc 0
15 mol 211 unq 0 iso 0 dist 5.42004 9.62163 5.81423 5.16245 9.63472 11.7404 numMergedOcc 0
16 mol 211 unq 1 iso 0 dist 5.42004 9.62163 5.81423 9.68345 9.63103 12.2461 numMergedOcc 0
17 mol 211 unq 2 iso 0 dist 5.42004 8.48297 7.45134 5.16245 9.63472 12.8475 numMergedOcc 0
18 mol 211 unq 3 iso 0 dist 5.42004 8.48297 7.45134 9.68345 9.63103 16.3562 numMergedOcc 0
19 mol 211 unq 4 iso 0 dist 7.73993 9.62163 11.7695 5.16245 7.15386 11.7404 numMergedOcc 0
20 mol 211 unq 5 iso 0 dist 7.73993 9.62163 11.7695 8.05917 9.45365 10.0519 numMergedOcc 0
21 mol 211 unq 6 iso 0 dist 7.73993 8.48297 9.96364 5.16245 7.15386 12.8475 numMergedOcc 0
22 mol 211 unq 7 iso 0 dist 7.73993 8.48297 9.96364 8.05917 9.45365 15.1538 numMergedOcc 0
23 mol 220 unq 0 iso 0 dist 8.75468 9.14078 10.1421 9.83283 7.80496 15.9568 numMergedOcc 0
24 mol 220 unq 1 iso 0 dist 8.75468 9.14078 10.1421 7.23892 8.60479 11.9898 numMergedOcc 0
25 mol 220 unq 2 iso 0 dist 5.51565 8.57161 5.83946 6.08531 9.74776 11.498 numMergedOcc 0
26 mol 224 unq 0 iso 0 dist 9.92947 6.04427 12.7034 5.639 8.68767 10.0474 numMergedOcc 0
27 mol 224 unq 1 iso 0 dist 7.7163 9.97425 5.46434 5.51581 9.06201 8.39753 numMergedOcc 0
28 mol 224 unq 2 iso 0 dist 9.06201 8.39753 5.46434 5.51581 7.7163 9.97425 numMergedOcc 0
29 mol 232 unq 0 iso 0 dist 4.46314 8.94854 10.5464 9.5675 7.33708 16.6094 numMergedOcc 0
30 mol 259 unq 0 iso 0 dist 8.38727 8.84139 5.36282 5.37654 6.6731 9.26725 numMergedOcc 0
31 mol 259 unq 1 iso 0 dist 8.38727 8.84139 5.36282 14.3705 9.83696 12.1817 numMergedOcc 0
32 mol 259 unq 2 iso 0 dist 6.6731 9.418 5.84058 5.37654 8.38727 11.4584 numMergedOcc 0
33 mol 259 unq 3 iso 0 dist 6.6731 9.418 5.84058 9.5552 9.83696 8.10823 numMergedOcc 0
34 mol 259 unq 4 iso 0 dist 6.6731 9.26725 5.36282 5.37654 8.38727 8.84139 numMergedOcc 0
35 mol 259 unq 5 iso 0 dist 6.6731 9.26725 5.36282 9.5552 9.83696 12.1817 numMergedOcc 0
36 mol 259 unq 6 iso 0 dist 9.83696 8.10823 5.84058 14.3705 8.38727 11.4584 numMergedOcc 0
37 mol 259 unq 7 iso 0 dist 9.83696 8.10823 5.84058 9.5552 6.6731 9.418 numMergedOcc 0
38 mol 274 unq 0 iso 0 dist 7.24089 9.89613 4.05661 7.42692 9.29005 13.0653 numMergedOcc 0
39 mol 279 unq 0 iso 0 dist 8.76889 6.10834 7.28266 6.55493 7.04397 8.24233 numMergedOcc 0
40 mol 279 unq 1 iso 0 dist 7.04397 8.24233 7.28266 6.55493 8.76889 6.10834 numMergedOcc 0
