0 mol 12 unq 0 iso 0 dist 8.3933 6.16894 6.6051 4.46781 9.75368 6.98179 numMergedOcc 0
1 mol 12 unq 1 iso 0 dist 8.3933 5.93993 8.15864 4.46781 9.75368 6.9065 numMergedOcc 0
2 mol 14 unq 0 iso 0 dist 9.36795 12.9652 8.10957 9.95445 8.82819 4.81121 numMergedOcc 0
3 mol 14 unq 1 iso 0 dist 9.36795 12.9652 8.10957 5.67022 5.36937 7.95811 numMergedOcc 0
4 mol 14 unq 2 iso 0 dist 9.36795 12.9652 8.10957 7.5545 5.99703 6.24146 numMergedOcc 0
5 mol 33 unq 0 iso 0 dist 8.16593 10.2877 8.74487 12.905 9.79966 6.76964 numMergedOcc 0
6 mol 33 unq 1 iso 0 dist 8.16593 10.2877 8.74487 12.5675 5.52992 8.87482 numMergedOcc 0
7 mol 33 unq 2 iso 0 dist 8.16593 11.0193 7.44828 12.905 9.79966 5.7655 numMergedOcc 0
8 mol 33 unq 3 iso 0 dist 8.16593 11.0193 7.44828 12.5675 5.52992 5.62472 numMergedOcc 0
9 mol 61 unq 0 iso 0 dist 9.33829 8.6006 8.8795 12.1087 8.44473 10.0338 numMergedOcc 0
10 mol 69 unq 0 iso 0 dist 8.23686 8.59507 9.32184 9.59206 7.25721 7.88096 numMergedOcc 0
11 mol 73 unq 0 iso 0 dist 8.70465 6.15303 7.45777 14.9119 6.3777 12.3394 numMergedOcc 0
12 mol 133 unq 0 iso 0 dist 8.58727 8.50536 8.8353 14.0905 9.47554 17.2988 numMergedOcc 0
13 mol 140 unq 0 iso 0 dist 8.75971 6.75517 8.94921 4.67753 8.92292 4.58643 numMergedOcc 0
14 mol 140 unq 1 iso 0 dist 8.75971 6.75517 8.94921 5.73219 8.67876 11.6044 numMergedOcc 0
15 mol 140 unq 2 iso 0 dist 8.75971 6.75517 8.94921 11.5485 9.11235 15.8205 numMergedOcc 0
16 mol 140 unq 3 iso 0 dist 8.75971 6.75517 8.94921 9.28845 8.15118 10.0917 numMergedOcc 0
17 mol 140 unq 4 iso 0 dist 8.75971 12.5812 7.77669 4.67753 8.92292 13.7353 numMergedOcc 0
18 mol 140 unq 5 iso 0 dist 8.75971 12.5812 7.77669 5.73219 8.67876 12.5321 numMergedOcc 0
19 mol 140 unq 6 iso 0 dist 8.75971 12.5812 7.77669 11.5485 9.11235 11.9489 numMergedOcc 0
20 mol 140 unq 7 iso 0 dist 8.75971 12.5812 7.77669 9.28845 8.15118 4.95731 numMergedOcc 0
21 mol 158 unq 0 iso 0 dist 8.57243 11.0811 9.96635 12.3624 9.99005 16.6371 numMergedOcc 0
22 mol 209 unq 0 iso 0 dist 9.9897 6.33039 9.79293 5.64285 9.66809 5.35827 numMergedOcc 0
23 mol 220 unq 0 iso 0 dist 7.35578 6.4634 8.57174 7.2801 9.9693 9.18635 numMergedOcc 0
24 mol 220 unq 1 iso 0 dist 7.35578 8.54715 6.80214 7.2801 9.9693 14.1934 numMergedOcc 0
25 mol 226 unq 0 iso 0 dist 9.45587 4.04412 8.52996 11.9892 5.90092 9.00536 numMergedOcc 0
26 mol 229 unq 0 iso 0 dist 7.06416 8.28178 7.39596 5.23042 9.40032 6.73193 numMergedOcc 0
27 mol 271 unq 0 iso 0 dist 6.56531 10.9694 9.50884 6.00331 9.42899 7.30308 numMergedOcc 0
28 mol 277 unq 0 iso 0 dist 8.90911 8.3109 6.66936 11.9195 4.81916 7.44724 numMergedOcc 0
29 mol 277 unq 1 iso 0 dist 8.90911 16.7779 8.15119 11.9195 4.81916 5.77904 numMergedOcc 0
30 mol 280 unq 0 iso 0 dist 8.45851 7.31678 4.45141 4.56991 5.41639 6.07005 numMergedOcc 0
31 mol 280 unq 1 iso 0 dist 8.45851 7.31678 4.45141 8.69519 7.96485 7.38048 numMergedOcc 0
