0 mol 4 unq 0 iso 0 dist 7.53929 9.31285 11.5093 4.54643 6.05231 13.0335 numMergedOcc 0
1 mol 4 unq 1 iso 0 dist 7.53929 8.66947 10.8758 4.54643 6.05231 10.4453 numMergedOcc 0
2 mol 18 unq 0 iso 0 dist 9.12848 9.2978 7.37821 10.5553 8.24798 13.725 numMergedOcc 0
3 mol 18 unq 1 iso 0 dist 9.12848 9.2978 7.37821 12.9137 8.02079 12.0482 numMergedOcc 0
4 mol 18 unq 2 iso 0 dist 9.12848 7.37356 4.25207 10.5553 8.24798 6.39243 numMergedOcc 0
5 mol 18 unq 3 iso 0 dist 9.12848 7.37356 4.25207 12.9137 8.02079 9.1715 numMergedOcc 0
6 mol 34 unq 0 iso 0 dist 9.12062 8.36524 15.5673 6.00825 5.68877 14.2228 numMergedOcc 0
7 mol 64 unq 0 iso 0 dist 6.48746 9.56181 4.96726 10.0706 7.49861 11.8671 numMergedOcc 0
8 mol 64 unq 1 iso 0 dist 6.48746 9.56181 4.96726 5.05714 6.2165 10.9973 numMergedOcc 0
9 mol 154 unq 0 iso 0 dist 9.71025 6.44195 5.88662 9.05948 6.59749 8.34737 numMergedOcc 0
10 mol 154 unq 1 iso 0 dist 9.71025 7.34207 12.461 9.05948 6.59749 15.0423 numMergedOcc 0
11 mol 163 unq 0 iso 0 dist 9.04436 7.75045 4.12904 10.6482 6.96837 10.0272 numMergedOcc 0
12 mol 186 unq 0 iso 0 dist 6.22466 9.52413 11.7795 12.2795 8.52322 18.6562 numMergedOcc 0
13 mol 229 unq 0 iso 0 dist 4.38586 8.53615 8.65216 5.55716 9.33775 12.1289 numMergedOcc 0
14 mol 235 unq 0 iso 0 dist 9.48967 6.45574 7.38431 16.3696 8.52954 15.1022 numMergedOcc 0
15 mol 235 unq 1 iso 0 dist 6.43002 8.14407 7.38431 11.7071 8.52954 15.1022 numMergedOcc 0
16 mol 241 unq 0 iso 0 dist 5.66945 6.90245 6.72492 4.51587 7.30582 10.4415 numMergedOcc 0
17 mol 271 unq 0 iso 0 dist 9.27556 7.9494 6.3252 5.22029 8.54162 10.0165 numMergedOcc 0
18 mol 277 unq 0 iso 0 dist 6.58667 9.38793 4.84657 10.4217 9.027 8.82899 numMergedOcc 0
19 mol 277 unq 1 iso 0 dist 6.01542 9.38793 13.791 5.57184 7.91992 14.0486 numMergedOcc 0
