0 mol 1 unq 0 iso 0 dist 6.35771 10.7006 6.09918 13.6058 7.94662 9.00903 numMergedOcc 0
1 mol 7 unq 0 iso 0 dist 6.66645 12.1978 5.72491 9.62914 5.44992 7.10621 numMergedOcc 0
2 mol 7 unq 1 iso 0 dist 6.66645 4.78012 7.88043 11.5381 10.2446 8.41585 numMergedOcc 0
3 mol 7 unq 2 iso 0 dist 5.22017 4.78012 8.80762 11.5381 12.3097 8.41585 numMergedOcc 0
4 mol 8 unq 0 iso 0 dist 7.70793 8.93161 7.3915 9.55823 7.43529 8.96553 numMergedOcc 0
5 mol 14 unq 0 iso 0 dist 7.91637 4.52143 9.58855 12.0934 10.6873 9.04767 numMergedOcc 0
6 mol 25 unq 0 iso 0 dist 6.98291 6.32132 6.6492 7.0928 9.20601 5.04899 numMergedOcc 0
7 mol 43 unq 0 iso 0 dist 9.32155 7.23774 8.44903 9.16827 5.48048 5.73819 numMergedOcc 0
8 mol 56 unq 0 iso 0 dist 8.58057 9.16445 6.77886 11.4753 6.03623 8.66265 numMergedOcc 0
9 mol 58 unq 0 iso 0 dist 9.57633 6.58144 7.27383 7.15486 6.37648 6.64012 numMergedOcc 0
10 mol 60 unq 0 iso 0 dist 8.04921 14.6942 9.96399 15.2792 9.62257 8.33063 numMergedOcc 0
11 mol 60 unq 1 iso 0 dist 8.04921 8.71681 7.55695 15.2792 9.62257 8.7531 numMergedOcc 0
12 mol 60 unq 2 iso 0 dist 8.04921 6.05904 8.82176 13.3554 13.0114 8.90863 numMergedOcc 0
13 mol 92 unq 0 iso 0 dist 8.99661 5.41023 6.61823 13.6801 6.08245 9.33898 numMergedOcc 0
14 mol 92 unq 1 iso 0 dist 8.99661 5.41023 6.61823 8.22406 7.24315 9.64443 numMergedOcc 0
15 mol 100 unq 0 iso 0 dist 8.96048 8.71142 7.12017 14.1058 9.52882 6.45675 numMergedOcc 0
16 mol 100 unq 1 iso 0 dist 8.96048 8.71142 7.12017 13.7943 12.6602 7.47343 numMergedOcc 0
17 mol 100 unq 2 iso 0 dist 8.96048 8.71142 7.12017 16.7446 14.8674 8.86688 numMergedOcc 0
18 mol 109 unq 0 iso 0 dist 9.70324 4.32805 8.89913 10.4855 5.54205 8.58044 numMergedOcc 0
19 mol 112 unq 0 iso 0 dist 9.67948 11.4909 6.43433 15.1697 8.56707 7.71338 numMergedOcc 0
20 mol 112 unq 1 iso 0 dist 9.67948 13.1737 9.92283 21.4955 17.3924 9.60462 numMergedOcc 0
21 mol 112 unq 2 iso 0 dist 6.55773 10.3209 6.43433 10.9647 8.56707 7.71338 numMergedOcc 0
22 mol 112 unq 3 iso 0 dist 6.55773 13.9635 9.92283 22.6194 17.3924 9.60462 numMergedOcc 0
23 mol 112 unq 4 iso 0 dist 5.82495 5.43987 7.23962 7.65229 3.98564 9.60462 numMergedOcc 0
24 mol 112 unq 5 iso 0 dist 5.82495 9.7695 7.30204 7.65229 3.98564 7.45389 numMergedOcc 0
25 mol 119 unq 0 iso 0 dist 9.2746 6.63018 7.99857 12.8917 7.61939 9.87172 numMergedOcc 0
26 mol 119 unq 1 iso 0 dist 9.2746 9.23197 8.56342 10.5727 4.91132 8.73993 numMergedOcc 0
27 mol 119 unq 2 iso 0 dist 9.89116 9.70986 7.77116 8.59784 3.78311 8.73993 numMergedOcc 0
28 mol 156 unq 0 iso 0 dist 8.63783 10.0792 9.43259 13.4954 6.44255 8.34702 numMergedOcc 0
29 mol 156 unq 1 iso 0 dist 7.96867 10.0792 6.2319 13.4954 5.82636 8.34702 numMergedOcc 0
30 mol 156 unq 2 iso 0 dist 7.96867 13.8503 9.97732 13.4954 5.82636 9.06726 numMergedOcc 0
31 mol 205 unq 0 iso 0 dist 8.01082 4.87114 8.44861 7.36642 5.28092 6.03031 numMergedOcc 0
32 mol 205 unq 1 iso 0 dist 8.01082 9.43922 5.60393 7.36642 5.28092 7.26832 numMergedOcc 0
33 mol 210 unq 0 iso 0 dist 9.76706 7.19612 5.37446 12.063 9.59996 6.18308 numMergedOcc 0
34 mol 214 unq 0 iso 0 dist 8.45863 7.3913 8.46327 9.01896 10.2399 8.82096 numMergedOcc 0
35 mol 248 unq 0 iso 0 dist 5.75155 6.63791 6.77954 12.094 6.71566 9.56569 numMergedOcc 0
36 mol 252 unq 0 iso 0 dist 9.00798 6.57025 6.11473 13.5266 9.32326 8.1148 numMergedOcc 0
37 mol 252 unq 1 iso 0 dist 9.00798 6.57025 6.11473 13.5406 5.72783 8.1715 numMergedOcc 0
38 mol 261 unq 0 iso 0 dist 9.39571 6.42225 5.26434 14.6728 6.04016 9.14619 numMergedOcc 0
39 mol 261 unq 1 iso 0 dist 9.39571 11.0363 8.60026 14.6728 6.04016 8.45658 numMergedOcc 0
