0 mol 54 unq 0 iso 0 dist 4.54652 7.54869 11.9881 9.93082 13.0181 6.4484 numMergedOcc 0
1 mol 54 unq 1 iso 0 dist 4.54652 6.29729 10.3564 9.93082 13.0181 9.96705 numMergedOcc 0
2 mol 54 unq 2 iso 0 dist 7.42848 7.54869 13.9079 9.93082 15.5074 6.4484 numMergedOcc 0
3 mol 54 unq 3 iso 0 dist 7.42848 6.29729 10.4238 9.93082 15.5074 9.96705 numMergedOcc 0
4 mol 63 unq 0 iso 0 dist 5.16082 7.06827 5.44838 9.43008 10.6197 7.49784 numMergedOcc 0
5 mol 63 unq 1 iso 0 dist 5.16082 7.06827 5.44838 7.63422 10.2422 11.1633 numMergedOcc 0
6 mol 130 unq 0 iso 0 dist 7.42373 9.09856 7.40242 8.07646 11.6197 6.73735 numMergedOcc 0
7 mol 130 unq 1 iso 0 dist 7.42373 9.14697 9.94056 8.07646 11.6197 8.01932 numMergedOcc 0
8 mol 133 unq 0 iso 0 dist 9.40268 6.70271 6.80292 9.34662 16.2032 12.538 numMergedOcc 0
9 mol 133 unq 1 iso 0 dist 9.40268 6.2109 11.8155 9.34662 16.2032 4.54648 numMergedOcc 0
10 mol 147 unq 0 iso 0 dist 8.64606 5.7191 5.90364 8.71163 13.5514 8.57132 numMergedOcc 0
11 mol 194 unq 0 iso 0 dist 8.78345 8.73695 5.03763 6.45779 13.9769 11.6598 numMergedOcc 0
12 mol 196 unq 0 iso 0 dist 7.42532 9.99721 13.6059 9.36505 9.91514 8.50224 numMergedOcc 0
13 mol 196 unq 1 iso 0 dist 7.42532 8.95053 11.1298 9.36505 9.91514 12.4046 numMergedOcc 0
14 mol 197 unq 0 iso 0 dist 9.71675 9.24777 10.913 9.27079 7.07515 7.33935 numMergedOcc 0
15 mol 197 unq 1 iso 0 dist 8.67145 9.24777 8.69245 9.27079 10.3181 7.33935 numMergedOcc 0
16 mol 210 unq 0 iso 0 dist 9.03103 7.08106 4.62641 6.19843 5.36996 5.87279 numMergedOcc 0
17 mol 230 unq 0 iso 0 dist 9.2119 8.61375 9.62027 9.94373 7.92315 6.17246 numMergedOcc 0
18 mol 230 unq 1 iso 0 dist 7.40128 8.61375 5.45786 9.94373 6.28819 6.17246 numMergedOcc 0
19 mol 268 unq 0 iso 0 dist 6.65505 7.71964 11.5055 7.36234 6.58374 10.4991 numMergedOcc 0
20 mol 282 unq 0 iso 0 dist 7.66682 8.99319 5.43514 8.35986 8.22593 5.02767 numMergedOcc 0
