0 mol 45 unq 0 iso 0 dist 5.90391 6.74686 8.82771 5.19805 6.94727 5.48117 numMergedOcc 0
1 mol 45 unq 0 iso 1 dist 8.82771 6.74686 5.90391 5.48117 6.94727 5.19805 numMergedOcc 0
2 mol 52 unq 0 iso 0 dist 7.24782 5.48316 5.95004 11.7062 6.84652 9.66329 numMergedOcc 0
3 mol 52 unq 0 iso 1 dist 5.95004 5.48316 7.24782 9.66329 6.84652 11.7062 numMergedOcc 0
4 mol 73 unq 0 iso 0 dist 7.84699 13.6926 7.53504 10.0721 6.4154 13.2987 numMergedOcc 0
5 mol 73 unq 0 iso 1 dist 7.53504 13.6926 7.84699 13.2987 6.4154 10.0721 numMergedOcc 0
6 mol 73 unq 1 iso 0 dist 8.40844 14.5875 7.02351 14.8445 9.67601 5.41354 numMergedOcc 0
7 mol 73 unq 1 iso 1 dist 7.02351 14.5875 8.40844 5.41354 9.67601 14.8445 numMergedOcc 0
8 mol 73 unq 2 iso 0 dist 8.40844 13.6926 8.66342 14.8445 9.67601 15.5344 numMergedOcc 0
9 mol 73 unq 2 iso 1 dist 8.66342 13.6926 8.40844 15.5344 9.67601 14.8445 numMergedOcc 0
10 mol 73 unq 2 iso 0 dist 7.02351 12.3241 8.66342 5.41354 9.67601 15.5344 numMergedOcc 0
11 mol 73 unq 2 iso 1 dist 8.66342 12.3241 7.02351 15.5344 9.67601 5.41354 numMergedOcc 0
12 mol 98 unq 0 iso 0 dist 7.26246 11.7765 8.6728 8.13159 7.42204 5.54452 numMergedOcc 0
13 mol 98 unq 0 iso 1 dist 8.6728 11.7765 7.26246 5.54452 7.42204 8.13159 numMergedOcc 0
14 mol 112 unq 0 iso 0 dist 9.17909 15.3111 9.37708 5.46082 7.12413 10.9659 numMergedOcc 0
15 mol 112 unq 0 iso 1 dist 9.37708 15.3111 9.17909 10.9659 7.12413 5.46082 numMergedOcc 0
16 mol 147 unq 0 iso 0 dist 4.95086 9.54023 8.39524 5.16833 5.96285 8.80049 numMergedOcc 0
17 mol 147 unq 0 iso 1 dist 8.39524 9.54023 4.95086 8.80049 5.96285 5.16833 numMergedOcc 0
18 mol 193 unq 0 iso 0 dist 9.16852 8.50438 8.6538 11.477 7.20955 9.308 numMergedOcc 0
19 mol 193 unq 0 iso 1 dist 8.6538 8.50438 9.16852 9.308 7.20955 11.477 numMergedOcc 0
20 mol 193 unq 1 iso 0 dist 9.16852 13.1729 5.19654 11.477 7.20955 6.6036 numMergedOcc 0
21 mol 193 unq 1 iso 1 dist 5.19654 13.1729 9.16852 6.6036 7.20955 11.477 numMergedOcc 0
22 mol 193 unq 1 iso 0 dist 8.6538 8.96814 5.19654 9.308 7.20955 6.6036 numMergedOcc 0
23 mol 193 unq 1 iso 1 dist 5.19654 8.96814 8.6538 6.6036 7.20955 9.308 numMergedOcc 0
24 mol 211 unq 0 iso 0 dist 9.45365 4.78922 7.15386 13.1369 9.97733 9.91543 numMergedOcc 0
25 mol 211 unq 0 iso 1 dist 7.15386 4.78922 9.45365 9.91543 9.97733 13.1369 numMergedOcc 0
26 mol 211 unq 1 iso 0 dist 9.45365 8.05917 7.73993 13.1369 9.97733 13.4388 numMergedOcc 0
27 mol 211 unq 1 iso 1 dist 7.73993 8.05917 9.45365 13.4388 9.97733 13.1369 numMergedOcc 0
28 mol 211 unq 1 iso 0 dist 7.15386 5.16245 7.73993 9.91543 9.97733 13.4388 numMergedOcc 0
29 mol 211 unq 1 iso 1 dist 7.73993 5.16245 7.15386 13.4388 9.97733 9.91543 numMergedOcc 0
30 mol 224 unq 0 iso 0 dist 7.7163 5.51581 9.06201 4.92261 8.60781 6.78064 numMergedOcc 0
31 mol 224 unq 0 iso 1 dist 9.06201 5.51581 7.7163 6.78064 8.60781 4.92261 numMergedOcc 0
32 mol 274 unq 0 iso 0 dist 7.24089 7.42692 9.29005 5.06637 5.42845 5.18671 numMergedOcc 0
33 mol 274 unq 0 iso 1 dist 9.29005 7.42692 7.24089 5.18671 5.42845 5.06637 numMergedOcc 0
34 mol 274 unq 1 iso 0 dist 9.96645 7.90361 9.2447 6.13137 5.12523 5.06306 numMergedOcc 0
35 mol 274 unq 1 iso 1 dist 9.2447 7.90361 9.96645 5.06306 5.12523 6.13137 numMergedOcc 0
