0 mol 46 unq 0 iso 0 dist 7.99847 7.34647 4.07933 11.7798 10.386 7.57749 numMergedOcc 0
1 mol 46 unq 1 iso 0 dist 7.99847 7.34647 4.07933 5.86337 9.27409 8.55202 numMergedOcc 0
2 mol 63 unq 0 iso 0 dist 9.70779 9.42588 3.95673 4.44654 8.51942 7.07396 numMergedOcc 0
3 mol 98 unq 0 iso 0 dist 6.56349 6.91989 3.92737 11.0239 8.55509 5.33961 numMergedOcc 0
4 mol 98 unq 1 iso 0 dist 6.56349 6.91989 3.92737 9.44195 12.4401 9.29816 numMergedOcc 0
5 mol 98 unq 2 iso 0 dist 6.56349 6.91989 3.92737 9.30319 5.94696 5.08983 numMergedOcc 0
6 mol 98 unq 3 iso 0 dist 6.56349 5.42942 3.94967 13.2802 10.9995 8.3505 numMergedOcc 0
7 mol 113 unq 0 iso 0 dist 8.26447 4.54933 7.1951 10.2613 9.09263 6.12348 numMergedOcc 0
8 mol 113 unq 1 iso 0 dist 8.26447 4.54933 7.1951 4.55686 10.1107 7.2672 numMergedOcc 0
9 mol 113 unq 2 iso 0 dist 6.71684 4.54933 3.84573 10.2613 5.37302 6.12348 numMergedOcc 0
10 mol 113 unq 3 iso 0 dist 6.71684 4.54933 3.84573 4.55686 8.47541 7.2672 numMergedOcc 0
11 mol 116 unq 0 iso 0 dist 9.6596 7.40425 3.82942 11.5791 7.6005 9.87191 numMergedOcc 0
12 mol 116 unq 1 iso 0 dist 9.6596 7.40425 3.82942 8.29258 8.7583 9.21528 numMergedOcc 0
13 mol 116 unq 2 iso 0 dist 9.07912 8.76958 3.82942 15.8278 7.6005 9.87191 numMergedOcc 0
14 mol 116 unq 3 iso 0 dist 9.07912 8.76958 3.82942 16.1224 8.7583 9.21528 numMergedOcc 0
15 mol 168 unq 0 iso 0 dist 7.80008 7.66537 4.02702 11.4274 8.90876 7.30338 numMergedOcc 0
16 mol 169 unq 0 iso 0 dist 8.46537 4.79597 7.33583 10.699 9.43938 6.27683 numMergedOcc 0
17 mol 169 unq 1 iso 0 dist 8.46537 4.79597 7.33583 4.73558 10.6152 7.1757 numMergedOcc 0
18 mol 169 unq 2 iso 0 dist 7.05602 4.79597 3.95773 10.699 5.51388 6.27683 numMergedOcc 0
19 mol 169 unq 3 iso 0 dist 7.05602 4.79597 3.95773 4.73558 8.68909 7.1757 numMergedOcc 0
20 mol 225 unq 0 iso 0 dist 8.05239 9.02428 13.4762 6.57519 13.4891 8.87015 numMergedOcc 0
21 mol 274 unq 0 iso 0 dist 9.99697 7.20837 16.6645 7.50788 15.4463 7.15079 numMergedOcc 0
22 mol 292 unq 0 iso 0 dist 6.39535 8.99208 3.92782 4.5463 6.60049 7.78796 numMergedOcc 0
23 mol 292 unq 1 iso 0 dist 6.78832 6.32663 6.32259 4.45463 6.68863 5.72473 numMergedOcc 0
