0 mol 42 unq 0 iso 0 dist 7.06199 8.98545 3.53534 10.2834 8.52254 7.53194 numMergedOcc 0
1 mol 53 unq 0 iso 0 dist 8.61163 7.77212 5.8646 12.4671 8.62669 13.0797 numMergedOcc 0
2 mol 53 unq 1 iso 0 dist 7.80805 9.72637 5.20563 8.86683 8.62669 9.95452 numMergedOcc 0
3 mol 91 unq 0 iso 0 dist 7.28711 8.47126 9.80027 7.54043 8.30169 14.3274 numMergedOcc 0
4 mol 91 unq 1 iso 0 dist 7.28711 8.47126 9.80027 8.05785 8.91983 11.687 numMergedOcc 0
5 mol 143 unq 0 iso 0 dist 8.72463 7.99127 6.75249 12.8171 7.5984 5.33772 numMergedOcc 0
6 mol 143 unq 1 iso 0 dist 6.7319 8.72521 10.9086 5.10341 8.11202 13.593 numMergedOcc 0
7 mol 143 unq 2 iso 0 dist 6.7319 8.19373 7.02542 5.10341 8.11202 9.12935 numMergedOcc 0
8 mol 167 unq 0 iso 0 dist 4.93984 7.33483 6.13061 4.72853 8.58946 8.43955 numMergedOcc 0
9 mol 204 unq 0 iso 0 dist 7.92766 7.8518 6.49075 3.96829 7.7292 6.46946 numMergedOcc 0
10 mol 204 unq 1 iso 0 dist 6.32652 7.8518 8.62057 3.96829 6.27396 6.46946 numMergedOcc 0
11 mol 214 unq 0 iso 0 dist 8.3035 6.03628 4.15355 10.8341 9.4835 9.46274 numMergedOcc 0
12 mol 214 unq 1 iso 0 dist 9.01896 7.81831 7.79075 9.47512 9.4835 9.01979 numMergedOcc 0
13 mol 217 unq 0 iso 0 dist 9.55587 8.92812 5.62746 8.23649 5.10683 7.94351 numMergedOcc 0
14 mol 218 unq 0 iso 0 dist 5.52981 8.5458 9.81852 6.43128 9.88212 12.3151 numMergedOcc 0
15 mol 253 unq 0 iso 0 dist 5.76077 8.86676 9.46115 9.07394 8.53729 6.93942 numMergedOcc 0
16 mol 253 unq 1 iso 0 dist 5.76077 8.86676 9.46115 11.6981 8.07341 9.31626 numMergedOcc 0
17 mol 265 unq 0 iso 0 dist 4.96568 9.19805 5.94366 11.7587 7.54805 6.18698 numMergedOcc 0
18 mol 265 unq 1 iso 0 dist 4.96568 7.71301 7.71667 11.7587 7.54805 9.50841 numMergedOcc 0
19 mol 276 unq 0 iso 0 dist 6.24808 9.97709 12.1499 7.74891 8.95876 15.1687 numMergedOcc 0
