0 mol 7 unq 0 iso 0 dist 7.13214 9.60361 6.12483 12.1978 11.2662 9.67164 numMergedOcc 0
1 mol 7 unq 1 iso 0 dist 7.13214 9.60361 6.12483 4.78012 5.99972 5.99459 numMergedOcc 0
2 mol 25 unq 0 iso 0 dist 9.67946 6.04822 5.32445 6.32132 9.28244 7.52933 numMergedOcc 0
3 mol 25 unq 1 iso 0 dist 9.67946 7.72717 9.32247 6.32132 9.28244 8.23761 numMergedOcc 0
4 mol 26 unq 0 iso 0 dist 9.34599 7.54282 5.29055 7.72477 13.6548 9.12845 numMergedOcc 0
5 mol 26 unq 1 iso 0 dist 6.32127 7.54282 4.76998 7.72477 10.3756 9.12845 numMergedOcc 0
6 mol 46 unq 0 iso 0 dist 6.19084 4.61355 4.07933 8.86861 11.5014 9.9787 numMergedOcc 0
7 mol 68 unq 0 iso 0 dist 8.14607 4.88863 3.85627 5.19333 7.26024 6.17207 numMergedOcc 0
8 mol 68 unq 1 iso 0 dist 7.38868 8.2282 3.85627 5.57159 7.26024 6.17207 numMergedOcc 0
9 mol 68 unq 2 iso 0 dist 9.04129 8.2282 7.15683 5.57159 6.36086 6.17207 numMergedOcc 0
10 mol 98 unq 0 iso 0 dist 7.43804 7.6935 3.92737 9.00814 12.5931 9.64383 numMergedOcc 0
11 mol 98 unq 1 iso 0 dist 7.43804 7.6935 3.92737 5.65902 4.47349 7.54889 numMergedOcc 0
12 mol 98 unq 2 iso 0 dist 7.43804 7.6935 3.92737 7.85074 5.65185 7.78931 numMergedOcc 0
13 mol 98 unq 3 iso 0 dist 7.43804 8.71558 3.94967 13.2064 6.7117 5.10496 numMergedOcc 0
14 mol 98 unq 4 iso 0 dist 7.43804 8.71558 3.94967 10.7799 9.42961 5.92242 numMergedOcc 0
15 mol 98 unq 5 iso 0 dist 7.43804 8.71558 3.94967 5.65902 4.47349 5.2571 numMergedOcc 0
16 mol 98 unq 6 iso 0 dist 7.43804 8.71558 3.94967 7.85074 5.65185 8.7497 numMergedOcc 0
17 mol 114 unq 0 iso 0 dist 9.82907 6.68983 11.3075 6.29844 13.7065 5.7144 numMergedOcc 0
18 mol 167 unq 0 iso 0 dist 7.93807 5.57495 5.43662 5.89138 9.67741 7.20495 numMergedOcc 0
19 mol 167 unq 1 iso 0 dist 7.93807 9.38297 5.95858 10.292 11.6896 6.84752 numMergedOcc 0
20 mol 167 unq 2 iso 0 dist 7.93807 9.38297 5.95858 14.6636 12.8466 7.86563 numMergedOcc 0
21 mol 167 unq 3 iso 0 dist 7.93807 9.38297 5.95858 5.89138 9.67741 7.02548 numMergedOcc 0
22 mol 222 unq 0 iso 0 dist 8.37652 7.17095 4.00869 5.15194 9.8062 6.74196 numMergedOcc 0
23 mol 279 unq 0 iso 0 dist 9.36891 6.63442 9.93952 5.65983 14.4048 7.24366 numMergedOcc 0
24 mol 279 unq 1 iso 0 dist 7.37358 6.63442 4.05042 5.65983 7.23721 7.24366 numMergedOcc 0
25 mol 287 unq 0 iso 0 dist 9.52718 7.74312 5.97664 6.56751 9.65934 7.45616 numMergedOcc 0
26 mol 288 unq 0 iso 0 dist 9.52718 7.74312 5.97664 6.56751 9.65934 7.45616 numMergedOcc 0
27 mol 289 unq 0 iso 0 dist 9.52718 7.74312 5.97664 6.56751 9.65934 7.45616 numMergedOcc 0
