0 mol 46 unq 0 iso 0 dist 9.47956 12.731 8.55202 12.0022 4.07933 9.27409 numMergedOcc 0
1 mol 46 unq 1 iso 0 dist 7.34647 5.86337 8.55202 7.99847 4.07933 9.27409 numMergedOcc 0
2 mol 63 unq 0 iso 0 dist 9.42588 4.44654 7.07396 9.70779 3.95673 8.51942 numMergedOcc 0
3 mol 73 unq 0 iso 0 dist 8.53368 15.2184 9.42184 19.8398 12.669 7.57443 numMergedOcc 0
4 mol 98 unq 0 iso 0 dist 6.91989 9.30319 5.08983 6.56349 3.92737 5.94696 numMergedOcc 0
5 mol 98 unq 1 iso 0 dist 5.42942 13.2802 8.3505 21.8007 17.4008 9.25249 numMergedOcc 0
6 mol 113 unq 0 iso 0 dist 4.54933 10.2613 6.12348 6.71684 3.84573 5.37302 numMergedOcc 0
7 mol 113 unq 1 iso 0 dist 4.54933 4.55686 7.2672 6.71684 3.84573 8.47541 numMergedOcc 0
8 mol 113 unq 2 iso 0 dist 8.97239 15.0422 6.12348 11.6044 3.84573 5.37302 numMergedOcc 0
9 mol 113 unq 3 iso 0 dist 8.97239 8.39951 7.2672 11.6044 3.84573 8.47541 numMergedOcc 0
10 mol 116 unq 0 iso 0 dist 7.40425 11.5791 9.87191 9.6596 3.82942 7.6005 numMergedOcc 0
11 mol 116 unq 1 iso 0 dist 7.40425 8.29258 9.21528 9.6596 3.82942 8.7583 numMergedOcc 0
12 mol 116 unq 2 iso 0 dist 8.76958 15.8278 9.87191 9.07912 3.82942 7.6005 numMergedOcc 0
13 mol 116 unq 3 iso 0 dist 8.76958 16.1224 9.21528 9.07912 3.82942 8.7583 numMergedOcc 0
14 mol 119 unq 0 iso 0 dist 9.93813 7.36609 5.90003 15.7808 10.3622 8.4733 numMergedOcc 0
15 mol 168 unq 0 iso 0 dist 7.66537 11.4274 7.30338 7.80008 4.02702 8.90876 numMergedOcc 0
16 mol 169 unq 0 iso 0 dist 4.79597 10.699 6.27683 7.05602 3.95773 5.51388 numMergedOcc 0
17 mol 169 unq 1 iso 0 dist 4.79597 4.73558 7.1757 7.05602 3.95773 8.68909 numMergedOcc 0
18 mol 274 unq 0 iso 0 dist 7.20837 7.50788 7.15079 14.2413 9.78219 9.02071 numMergedOcc 0
19 mol 292 unq 0 iso 0 dist 8.99208 4.5463 7.78796 6.39535 3.92782 6.60049 numMergedOcc 0
20 mol 292 unq 1 iso 0 dist 6.32663 4.45463 5.72473 6.78832 6.32259 6.68863 numMergedOcc 0
