0 mol 44 unq 0 iso 0 dist 9.53901 13.4307 7.42925 14.2564 6.07691 9.6782 numMergedOcc 0
1 mol 54 unq 0 iso 0 dist 6.10175 5.01159 5.7405 10.5929 10.4238 6.14538 numMergedOcc 0
2 mol 73 unq 0 iso 0 dist 9.94312 9.37655 7.45801 12.4858 4.49951 6.02816 numMergedOcc 0
3 mol 92 unq 0 iso 0 dist 4.85152 5.47738 7.2131 5.90776 6.82886 5.37007 numMergedOcc 0
4 mol 92 unq 1 iso 0 dist 4.85152 4.665 7.44343 11.1915 11.8037 6.95572 numMergedOcc 0
5 mol 98 unq 0 iso 0 dist 8.87856 4.81103 4.94406 5.85841 6.83826 5.78706 numMergedOcc 0
6 mol 98 unq 1 iso 0 dist 8.87856 4.81103 4.94406 11.1652 5.0289 7.23884 numMergedOcc 0
7 mol 98 unq 2 iso 0 dist 8.87856 4.81103 4.94406 7.00285 9.94628 5.59328 numMergedOcc 0
8 mol 98 unq 3 iso 0 dist 8.87856 4.81103 4.94406 11.8527 7.53156 7.5242 numMergedOcc 0
9 mol 98 unq 4 iso 0 dist 6.2491 4.81103 7.2337 5.85841 9.30656 5.78706 numMergedOcc 0
10 mol 98 unq 5 iso 0 dist 6.2491 4.81103 7.2337 11.1652 12.1337 7.23884 numMergedOcc 0
11 mol 98 unq 6 iso 0 dist 6.2491 4.81103 7.2337 7.00285 5.39087 5.59328 numMergedOcc 0
12 mol 98 unq 7 iso 0 dist 6.2491 4.81103 7.2337 11.8527 12.2431 7.5242 numMergedOcc 0
13 mol 98 unq 8 iso 0 dist 3.59451 7.22196 7.2337 6.78839 9.30656 5.78706 numMergedOcc 0
14 mol 98 unq 9 iso 0 dist 3.59451 7.22196 7.2337 11.1321 12.1337 7.23884 numMergedOcc 0
15 mol 98 unq 10 iso 0 dist 3.59451 7.22196 7.2337 8.02354 5.39087 5.59328 numMergedOcc 0
16 mol 98 unq 11 iso 0 dist 3.59451 7.22196 7.2337 13.7128 12.2431 7.5242 numMergedOcc 0
17 mol 108 unq 0 iso 0 dist 7.58484 5.83671 8.06774 10.4011 12.692 9.01852 numMergedOcc 0
18 mol 125 unq 0 iso 0 dist 6.6081 7.74181 9.2657 13.6357 9.67381 9.08382 numMergedOcc 0
19 mol 125 unq 1 iso 0 dist 6.6081 7.74181 9.2657 13.0388 9.19339 9.3778 numMergedOcc 0
20 mol 125 unq 2 iso 0 dist 6.6081 7.74181 9.2657 7.76202 6.92879 7.47069 numMergedOcc 0
21 mol 125 unq 3 iso 0 dist 9.64304 8.27647 9.2657 10.231 9.67381 9.08382 numMergedOcc 0
22 mol 125 unq 4 iso 0 dist 9.64304 8.27647 9.2657 6.03557 9.19339 9.3778 numMergedOcc 0
23 mol 125 unq 5 iso 0 dist 9.64304 8.27647 9.2657 13.084 6.92879 7.47069 numMergedOcc 0
24 mol 135 unq 0 iso 0 dist 7.54797 10.6553 9.03598 16.1822 12.3033 7.90563 numMergedOcc 0
25 mol 135 unq 1 iso 0 dist 7.54797 10.6553 9.03598 12.2072 9.69024 8.97655 numMergedOcc 0
26 mol 141 unq 0 iso 0 dist 8.51265 9.00056 8.35864 9.47675 10.4653 9.97343 numMergedOcc 0
27 mol 141 unq 1 iso 0 dist 8.51265 9.00056 8.35864 16.9141 15.1845 9.70413 numMergedOcc 0
28 mol 141 unq 2 iso 0 dist 9.98097 10.537 9.80549 13.5907 5.42993 9.87644 numMergedOcc 0
29 mol 152 unq 0 iso 0 dist 7.99446 5.8155 9.62138 11.6015 12.9372 6.46461 numMergedOcc 0
30 mol 152 unq 1 iso 0 dist 7.21636 5.8155 5.11444 11.6015 7.24951 6.46461 numMergedOcc 0
31 mol 156 unq 0 iso 0 dist 6.47989 6.07262 8.32227 10.6253 9.67236 8.61587 numMergedOcc 0
32 mol 156 unq 1 iso 0 dist 6.67598 5.02458 9.6281 9.19499 5.0966 9.44367 numMergedOcc 0
33 mol 156 unq 2 iso 0 dist 6.67598 5.02458 9.6281 7.11647 5.75141 7.90267 numMergedOcc 0
34 mol 156 unq 3 iso 0 dist 8.34508 17.0458 9.6281 9.97623 5.0966 9.44367 numMergedOcc 0
35 mol 156 unq 4 iso 0 dist 8.34508 17.0458 9.6281 13.465 5.75141 7.90267 numMergedOcc 0
36 mol 156 unq 5 iso 0 dist 8.79185 5.02458 6.22667 9.19499 9.07974 9.44367 numMergedOcc 0
37 mol 156 unq 6 iso 0 dist 8.79185 5.02458 6.22667 7.11647 5.70205 7.90267 numMergedOcc 0
38 mol 219 unq 0 iso 0 dist 7.98941 14.1483 9.30312 14.4403 10.0509 7.59632 numMergedOcc 0
39 mol 232 unq 0 iso 0 dist 7.33708 4.82887 6.23146 12.2067 13.6402 9.05071 numMergedOcc 0
40 mol 232 unq 1 iso 0 dist 4.46314 8.15893 6.23146 12.5644 13.6402 9.05071 numMergedOcc 0
41 mol 259 unq 0 iso 0 dist 9.16791 13.1939 9.69025 13.8844 5.71237 7.98231 numMergedOcc 0
42 mol 259 unq 1 iso 0 dist 9.16791 13.1939 9.69025 18.6945 11.8501 7.08526 numMergedOcc 0
43 mol 265 unq 0 iso 0 dist 8.19772 11.7401 7.49913 11.7979 5.56416 6.71375 numMergedOcc 0
44 mol 274 unq 0 iso 0 dist 8.17922 4.48276 8.30714 5.82876 7.97998 7.46394 numMergedOcc 0
45 mol 274 unq 1 iso 0 dist 8.17922 4.48276 8.30714 12.6563 12.3018 9.45514 numMergedOcc 0
46 mol 274 unq 2 iso 0 dist 8.17922 4.48276 8.30714 12.336 9.61244 8.91672 numMergedOcc 0
47 mol 274 unq 3 iso 0 dist 8.17922 4.48276 8.30714 8.71129 5.7745 7.1729 numMergedOcc 0
48 mol 274 unq 4 iso 0 dist 8.16746 6.84952 9.02661 12.1604 17.306 8.52587 numMergedOcc 0
49 mol 274 unq 5 iso 0 dist 8.16746 6.84952 9.02661 11.1412 10.2307 6.39866 numMergedOcc 0
50 mol 279 unq 0 iso 0 dist 8.76889 4.99186 8.16582 5.70546 9.36068 7.23721 numMergedOcc 0
51 mol 279 unq 1 iso 0 dist 7.04397 8.17282 8.16582 10.974 9.36068 7.23721 numMergedOcc 0
