0 mol 32 unq 0 iso 0 dist 7.13608 4.62392 8.22628 12.1285 9.82819 8.62801 numMergedOcc 0
1 mol 32 unq 0 iso 1 dist 7.13608 12.1285 9.82819 4.62392 8.22628 8.62801 numMergedOcc 0
2 mol 32 unq 1 iso 0 dist 9.46895 11.4081 8.22628 4.56364 9.82819 8.62801 numMergedOcc 0
3 mol 32 unq 1 iso 1 dist 9.46895 4.56364 9.82819 11.4081 8.22628 8.62801 numMergedOcc 0
4 mol 39 unq 0 iso 0 dist 8.76925 9.04728 8.61287 11.4523 7.92518 5.16998 numMergedOcc 0
5 mol 39 unq 0 iso 1 dist 8.76925 11.4523 7.92518 9.04728 8.61287 5.16998 numMergedOcc 0
6 mol 56 unq 0 iso 0 dist 4.80247 10.8339 9.23105 7.01089 6.14494 3.83454 numMergedOcc 0
7 mol 56 unq 0 iso 1 dist 4.80247 7.01089 6.14494 10.8339 9.23105 3.83454 numMergedOcc 0
8 mol 79 unq 0 iso 0 dist 9.8089 6.21234 8.4416 7.08619 7.79538 7.11515 numMergedOcc 0
9 mol 79 unq 0 iso 1 dist 9.8089 7.08619 7.79538 6.21234 8.4416 7.11515 numMergedOcc 0
10 mol 83 unq 0 iso 0 dist 7.9309 7.89284 7.93119 9.76251 5.25361 11.3922 numMergedOcc 0
11 mol 83 unq 0 iso 1 dist 7.9309 9.76251 5.25361 7.89284 7.93119 11.3922 numMergedOcc 0
12 mol 87 unq 0 iso 0 dist 7.35921 5.21656 9.72782 7.42523 8.81954 5.02509 numMergedOcc 0
13 mol 87 unq 0 iso 1 dist 7.35921 7.42523 8.81954 5.21656 9.72782 5.02509 numMergedOcc 0
14 mol 141 unq 0 iso 0 dist 8.5614 9.88447 7.95751 8.09962 5.39002 3.3724 numMergedOcc 0
15 mol 141 unq 0 iso 1 dist 8.5614 8.09962 5.39002 9.88447 7.95751 3.3724 numMergedOcc 0
16 mol 147 unq 0 iso 0 dist 9.61 4.21146 8.0732 8.49014 5.93918 5.10774 numMergedOcc 0
17 mol 147 unq 0 iso 1 dist 9.61 8.49014 5.93918 4.21146 8.0732 5.10774 numMergedOcc 0
18 mol 158 unq 0 iso 0 dist 8.95432 11.7299 7.68074 17.16 9.1854 10.0033 numMergedOcc 0
19 mol 158 unq 0 iso 1 dist 8.95432 17.16 9.1854 11.7299 7.68074 10.0033 numMergedOcc 0
20 mol 210 unq 0 iso 0 dist 8.50367 4.61281 7.80421 6.94265 9.71107 10.6482 numMergedOcc 0
21 mol 210 unq 0 iso 1 dist 8.50367 6.94265 9.71107 4.61281 7.80421 10.6482 numMergedOcc 0
22 mol 210 unq 1 iso 0 dist 8.50367 4.61281 7.80421 9.08763 9.7449 12.6352 numMergedOcc 0
23 mol 210 unq 1 iso 1 dist 8.50367 9.08763 9.7449 4.61281 7.80421 12.6352 numMergedOcc 0
24 mol 210 unq 1 iso 0 dist 8.50367 6.94265 9.71107 9.08763 9.7449 3.59461 numMergedOcc 0
25 mol 210 unq 1 iso 1 dist 8.50367 9.08763 9.7449 6.94265 9.71107 3.59461 numMergedOcc 0
26 mol 210 unq 2 iso 0 dist 8.94889 10.3044 7.80421 4.3844 9.71107 10.6482 numMergedOcc 0
27 mol 210 unq 2 iso 1 dist 8.94889 4.3844 9.71107 10.3044 7.80421 10.6482 numMergedOcc 0
28 mol 210 unq 3 iso 0 dist 8.94889 10.3044 7.80421 6.85132 9.7449 12.6352 numMergedOcc 0
29 mol 210 unq 3 iso 1 dist 8.94889 6.85132 9.7449 10.3044 7.80421 12.6352 numMergedOcc 0
30 mol 210 unq 3 iso 0 dist 8.94889 4.3844 9.71107 6.85132 9.7449 3.59461 numMergedOcc 0
31 mol 210 unq 3 iso 1 dist 8.94889 6.85132 9.7449 4.3844 9.71107 3.59461 numMergedOcc 0
32 mol 217 unq 0 iso 0 dist 7.95365 8.78812 7.00456 14.0642 8.99484 6.12994 numMergedOcc 0
33 mol 217 unq 0 iso 1 dist 7.95365 14.0642 8.99484 8.78812 7.00456 6.12994 numMergedOcc 0
34 mol 222 unq 0 iso 0 dist 5.17916 7.60854 7.99441 5.13817 6.71817 3.58181 numMergedOcc 0
35 mol 222 unq 0 iso 1 dist 5.17916 5.13817 6.71817 7.60854 7.99441 3.58181 numMergedOcc 0
36 mol 222 unq 1 iso 0 dist 5.17916 7.60854 7.99441 4.54609 8.41524 8.23638 numMergedOcc 0
37 mol 222 unq 1 iso 1 dist 5.17916 4.54609 8.41524 7.60854 7.99441 8.23638 numMergedOcc 0
38 mol 222 unq 1 iso 0 dist 5.17916 5.13817 6.71817 4.54609 8.41524 4.79329 numMergedOcc 0
39 mol 222 unq 1 iso 1 dist 5.17916 4.54609 8.41524 5.13817 6.71817 4.79329 numMergedOcc 0
40 mol 267 unq 0 iso 0 dist 8.21131 9.10508 5.463 10.0159 8.68244 12.5387 numMergedOcc 0
41 mol 267 unq 0 iso 1 dist 8.21131 10.0159 8.68244 9.10508 5.463 12.5387 numMergedOcc 0
42 mol 267 unq 1 iso 0 dist 8.21131 9.10508 5.463 13.2368 9.46729 11.7355 numMergedOcc 0
43 mol 267 unq 1 iso 1 dist 8.21131 13.2368 9.46729 9.10508 5.463 11.7355 numMergedOcc 0
44 mol 267 unq 1 iso 0 dist 8.21131 10.0159 8.68244 13.2368 9.46729 5.97578 numMergedOcc 0
45 mol 267 unq 1 iso 1 dist 8.21131 13.2368 9.46729 10.0159 8.68244 5.97578 numMergedOcc 0
46 mol 283 unq 0 iso 0 dist 6.93798 5.83652 5.32876 5.99759 7.60296 3.46787 numMergedOcc 0
47 mol 283 unq 0 iso 1 dist 6.93798 5.99759 7.60296 5.83652 5.32876 3.46787 numMergedOcc 0
