0 mol 5 unq 0 iso 0 dist 9.22115 8.4301 7.15734 7.27154 6.93063 10.0814 numMergedOcc 0
1 mol 5 unq 1 iso 0 dist 9.22115 8.4301 7.15734 9.62894 7.86627 9.58245 numMergedOcc 0
2 mol 63 unq 0 iso 0 dist 8.17492 6.8609 9.35912 7.97838 9.25631 14.1737 numMergedOcc 0
3 mol 91 unq 0 iso 0 dist 8.01351 7.97927 5.78962 6.21391 9.00799 7.15588 numMergedOcc 0
4 mol 91 unq 1 iso 0 dist 8.01351 7.97927 5.78962 11.0079 6.29207 8.74291 numMergedOcc 0
5 mol 123 unq 0 iso 0 dist 7.99359 11.3887 9.86842 15.3597 8.74958 12.8839 numMergedOcc 0
6 mol 162 unq 0 iso 0 dist 8.07461 9.16007 8.98459 4.47253 7.98503 6.79626 numMergedOcc 0
7 mol 162 unq 1 iso 0 dist 8.07461 9.16007 8.98459 9.17098 7.80955 8.44832 numMergedOcc 0
8 mol 162 unq 2 iso 0 dist 8.07461 9.16007 8.98459 5.7696 7.93307 13.1065 numMergedOcc 0
9 mol 163 unq 0 iso 0 dist 6.58002 5.52157 9.85967 3.94265 6.35103 9.38747 numMergedOcc 0
10 mol 173 unq 0 iso 0 dist 8.87968 11.3263 5.97008 11.7262 7.90789 8.51683 numMergedOcc 0
11 mol 173 unq 1 iso 0 dist 8.87968 11.3263 5.97008 6.26891 4.13397 8.00155 numMergedOcc 0
12 mol 184 unq 0 iso 0 dist 8.11014 13.0222 9.45847 3.76904 5.67457 12.5274 numMergedOcc 0
13 mol 184 unq 1 iso 0 dist 8.11014 10.629 7.895 3.76904 5.67457 8.33714 numMergedOcc 0
14 mol 186 unq 0 iso 0 dist 8.72113 13.0532 9.08767 5.99264 7.62128 14.8895 numMergedOcc 0
15 mol 223 unq 0 iso 0 dist 4.30445 6.59509 6.03408 6.95887 9.0935 12.0768 numMergedOcc 0
16 mol 265 unq 0 iso 0 dist 8.43749 13.7732 9.56472 9.15511 9.05568 5.87866 numMergedOcc 0
17 mol 265 unq 1 iso 0 dist 8.43749 11.9238 6.5072 9.15511 9.05568 10.9415 numMergedOcc 0
18 mol 265 unq 2 iso 0 dist 8.43749 6.97261 4.03921 9.15511 9.05568 11.4155 numMergedOcc 0
19 mol 280 unq 0 iso 0 dist 7.61357 13.0755 8.57733 10.1415 7.8766 3.77655 numMergedOcc 0
20 mol 280 unq 1 iso 0 dist 7.61357 13.0755 8.57733 9.97202 7.70759 9.99391 numMergedOcc 0
21 mol 280 unq 2 iso 0 dist 7.61357 15.1044 9.05509 10.1415 7.8766 8.87395 numMergedOcc 0
22 mol 280 unq 3 iso 0 dist 7.61357 15.1044 9.05509 9.97202 7.70759 8.05876 numMergedOcc 0
23 mol 280 unq 4 iso 0 dist 7.31523 11.1583 6.83927 13.9195 9.94082 8.23689 numMergedOcc 0
24 mol 280 unq 5 iso 0 dist 7.31523 11.1583 6.83927 13.5122 9.9882 5.63061 numMergedOcc 0
25 mol 280 unq 6 iso 0 dist 8.67836 11.8477 6.83927 10.1415 9.94082 8.23689 numMergedOcc 0
26 mol 280 unq 7 iso 0 dist 8.67836 11.8477 6.83927 11.2856 9.9882 5.63061 numMergedOcc 0
27 mol 283 unq 0 iso 0 dist 9.16563 5.08363 7.88405 8.03948 9.83528 10.9468 numMergedOcc 0
