0 mol 27 unq 0 iso 0 dist 8.73916 8.16102 9.73154 5.84177 14.1491 9.29273 numMergedOcc 0
1 mol 27 unq 1 iso 0 dist 5.66337 8.16102 10.602 5.84177 10.611 9.29273 numMergedOcc 0
2 mol 34 unq 0 iso 0 dist 6.70369 8.6127 11.144 5.08831 10.3173 8.0991 numMergedOcc 0
3 mol 34 unq 1 iso 0 dist 6.70369 8.6127 11.144 6.54316 12.9695 8.80175 numMergedOcc 0
4 mol 34 unq 2 iso 0 dist 6.70369 8.6127 11.144 11.3171 17.0613 8.61637 numMergedOcc 0
5 mol 34 unq 3 iso 0 dist 6.70369 9.25005 8.52974 5.08831 10.3173 9.95093 numMergedOcc 0
6 mol 34 unq 4 iso 0 dist 8.49278 8.6127 9.15844 5.08831 10.5841 8.0991 numMergedOcc 0
7 mol 34 unq 5 iso 0 dist 8.49278 8.6127 9.15844 6.54316 13.8566 8.80175 numMergedOcc 0
8 mol 34 unq 6 iso 0 dist 8.49278 8.6127 9.15844 11.3171 16.6472 8.61637 numMergedOcc 0
9 mol 34 unq 7 iso 0 dist 8.49278 9.25005 5.27925 5.08831 10.5841 9.95093 numMergedOcc 0
10 mol 54 unq 0 iso 0 dist 9.1695 7.18148 4.04498 6.85941 12.5611 8.75957 numMergedOcc 0
11 mol 83 unq 0 iso 0 dist 7.6104 6.72584 4.48523 11.4378 5.68212 8.99451 numMergedOcc 0
12 mol 154 unq 0 iso 0 dist 8.10747 8.12953 4.75232 10.6473 10.4949 8.90588 numMergedOcc 0
13 mol 158 unq 0 iso 0 dist 7.75233 4.88625 5.05049 7.33177 12.2198 7.20362 numMergedOcc 0
14 mol 168 unq 0 iso 0 dist 9.01437 6.24232 3.60864 12.3252 5.24076 6.12453 numMergedOcc 0
15 mol 168 unq 1 iso 0 dist 9.01437 6.13116 7.08284 12.3252 5.24076 9.87447 numMergedOcc 0
16 mol 168 unq 2 iso 0 dist 9.6856 8.1953 3.60864 7.48749 5.24076 6.12453 numMergedOcc 0
17 mol 168 unq 3 iso 0 dist 9.6856 8.16253 7.08284 7.48749 5.24076 9.87447 numMergedOcc 0
18 mol 184 unq 0 iso 0 dist 7.73442 9.11936 15.3838 5.71349 11.7985 9.62748 numMergedOcc 0
19 mol 184 unq 1 iso 0 dist 7.73442 8.20517 13.085 5.71349 11.7985 5.12964 numMergedOcc 0
20 mol 282 unq 0 iso 0 dist 9.73723 8.36459 5.07365 5.73412 7.85295 8.46115 numMergedOcc 0
21 mol 287 unq 0 iso 0 dist 7.7368 6.23874 9.21351 5.48793 10.6514 9.23152 numMergedOcc 0
22 mol 288 unq 0 iso 0 dist 7.7368 6.23874 9.21351 5.48793 10.6514 9.23152 numMergedOcc 0
23 mol 289 unq 0 iso 0 dist 7.7368 6.23874 9.21351 5.48793 10.6514 9.23152 numMergedOcc 0
