0 mol 43 unq 0 iso 0 dist 9.16827 12.092 6.20293 7.23774 5.73819 5.06502 14.9909 8.13395 8.80331 10.5523 numMergedOcc 0
1 mol 43 unq 1 iso 0 dist 9.16827 12.092 6.20293 10.7423 8.93915 6.45462 14.9909 8.13395 8.80331 14.7803 numMergedOcc 0
2 mol 58 unq 0 iso 0 dist 7.15486 4.98107 9.4099 6.58144 6.64012 6.47414 8.52969 10.6169 9.55426 13.4544 numMergedOcc 0
3 mol 58 unq 1 iso 0 dist 8.52969 4.98107 9.55426 11.6772 6.81627 9.7274 7.15486 10.6169 9.4099 15.2973 numMergedOcc 0
4 mol 58 unq 2 iso 0 dist 8.52969 4.98107 9.55426 9.0406 7.32874 5.90225 7.15486 10.6169 9.4099 11.396 numMergedOcc 0
5 mol 59 unq 0 iso 0 dist 7.67586 11.7065 7.71095 5.03832 6.85766 10.0246 18.2379 12.5396 8.84665 17.79 numMergedOcc 0
6 mol 59 unq 1 iso 0 dist 7.67586 11.7065 7.71095 5.03832 6.85766 10.0246 13.1891 8.19458 8.25513 14.0127 numMergedOcc 0
7 mol 59 unq 2 iso 0 dist 8.97292 14.1347 7.71095 7.2878 6.85766 10.0246 20.4157 12.5396 8.84665 17.79 numMergedOcc 0
8 mol 59 unq 3 iso 0 dist 8.97292 14.1347 7.71095 7.2878 6.85766 10.0246 17.0558 8.19458 8.25513 14.0127 numMergedOcc 0
9 mol 100 unq 0 iso 0 dist 5.09688 12.2879 7.47343 9.65979 6.45675 5.33144 13.6601 8.8807 6.65086 10.1409 numMergedOcc 0
10 mol 100 unq 1 iso 0 dist 5.09688 12.2879 7.47343 9.65979 6.45675 5.33144 17.6466 12.6515 6.56369 11.8665 numMergedOcc 0
11 mol 100 unq 2 iso 0 dist 5.09688 12.2879 7.47343 9.65979 6.45675 5.33144 18.8484 13.887 9.30209 13.912 numMergedOcc 0
12 mol 100 unq 3 iso 0 dist 5.09688 12.2879 7.47343 10.2364 8.86688 10.1407 13.6601 8.8807 6.65086 14.9102 numMergedOcc 0
13 mol 100 unq 4 iso 0 dist 5.09688 12.2879 7.47343 10.2364 8.86688 10.1407 17.6466 12.6515 6.56369 13.6959 numMergedOcc 0
14 mol 100 unq 5 iso 0 dist 5.09688 12.2879 7.47343 10.2364 8.86688 10.1407 18.8484 13.887 9.30209 18.2109 numMergedOcc 0
15 mol 100 unq 6 iso 0 dist 9.26343 16.4386 7.47343 13.666 6.45675 5.33144 16.1978 8.8807 6.65086 10.1409 numMergedOcc 0
16 mol 100 unq 7 iso 0 dist 9.26343 16.4386 7.47343 13.666 6.45675 5.33144 21.6939 12.6515 6.56369 11.8665 numMergedOcc 0
17 mol 100 unq 8 iso 0 dist 9.26343 16.4386 7.47343 13.666 6.45675 5.33144 21.5791 13.887 9.30209 13.912 numMergedOcc 0
18 mol 100 unq 9 iso 0 dist 9.26343 16.4386 7.47343 15.5646 8.86688 10.1407 16.1978 8.8807 6.65086 14.9102 numMergedOcc 0
19 mol 100 unq 10 iso 0 dist 9.26343 16.4386 7.47343 15.5646 8.86688 10.1407 21.6939 12.6515 6.56369 13.6959 numMergedOcc 0
20 mol 100 unq 11 iso 0 dist 9.26343 16.4386 7.47343 15.5646 8.86688 10.1407 21.5791 13.887 9.30209 18.2109 numMergedOcc 0
21 mol 117 unq 0 iso 0 dist 9.41387 9.3855 7.90328 6.54872 9.84395 13.1058 13.8525 7.22206 7.83136 16.5575 numMergedOcc 0
22 mol 117 unq 1 iso 0 dist 9.41387 9.3855 7.90328 6.54872 9.84395 13.1058 15.4634 9.3584 7.0603 17.163 numMergedOcc 0
23 mol 134 unq 0 iso 0 dist 6.99089 10.1742 6.54501 12.6542 6.49416 5.00526 9.54911 5.79898 9.89303 9.93925 numMergedOcc 0
24 mol 134 unq 1 iso 0 dist 6.99089 12.6542 6.49416 10.1742 6.54501 5.00526 15.1189 8.80819 8.94367 11.9139 numMergedOcc 0
25 mol 134 unq 2 iso 0 dist 6.99089 12.6542 6.49416 10.1742 6.54501 5.00526 11.6481 5.00817 6.37586 9.5126 numMergedOcc 0
26 mol 175 unq 0 iso 0 dist 8.50904 8.09861 9.0018 10.1323 7.652 7.42466 7.04318 6.2715 5.6234 9.92231 numMergedOcc 0
27 mol 175 unq 1 iso 0 dist 8.50904 8.09861 9.0018 10.1323 7.652 7.42466 11.9173 8.16421 6.57069 10.2623 numMergedOcc 0
28 mol 175 unq 2 iso 0 dist 8.50904 10.1323 7.652 8.09861 9.0018 7.42466 7.04318 6.2715 9.92231 5.6234 numMergedOcc 0
29 mol 175 unq 3 iso 0 dist 7.04318 8.09861 5.6234 10.1323 9.92231 7.42466 8.50904 6.2715 9.0018 7.652 numMergedOcc 0
30 mol 175 unq 4 iso 0 dist 7.04318 8.09861 5.6234 10.1323 9.92231 7.42466 11.9173 5.35493 6.57069 10.2623 numMergedOcc 0
31 mol 175 unq 5 iso 0 dist 7.04318 10.1323 9.92231 8.09861 5.6234 7.42466 8.50904 6.2715 7.652 9.0018 numMergedOcc 0
32 mol 181 unq 0 iso 0 dist 9.25528 18.2027 9.1374 11.4901 5.98885 8.88798 20.7774 13.2049 8.03334 10.7062 numMergedOcc 0
33 mol 181 unq 1 iso 0 dist 9.25528 18.2027 9.1374 11.9545 9.15386 12.1628 20.7774 13.2049 8.03334 14.9794 numMergedOcc 0
34 mol 181 unq 2 iso 0 dist 9.25528 11.4901 5.98885 18.2027 9.1374 8.88798 11.3822 10.1912 9.09537 15.0228 numMergedOcc 0
35 mol 181 unq 3 iso 0 dist 9.25528 11.4901 5.98885 11.9545 9.15386 5.16002 11.3822 10.1912 9.09537 12.9862 numMergedOcc 0
36 mol 186 unq 0 iso 0 dist 8.03567 12.2966 8.87694 8.339 7.54065 5.74635 16.5692 9.50685 9.09754 10.7914 numMergedOcc 0
37 mol 186 unq 1 iso 0 dist 8.03567 12.2966 8.87694 8.18892 9.70748 14.9058 16.5692 9.50685 9.09754 18.6929 numMergedOcc 0
38 mol 206 unq 0 iso 0 dist 8.59262 13.472 9.774 4.38308 8.02137 10.4 13.3597 5.63422 7.7366 11.1804 numMergedOcc 0
39 mol 252 unq 0 iso 0 dist 9.78185 17.5012 8.33025 16.8096 9.2288 8.41807 15.1099 6.0987 8.1148 8.1715 numMergedOcc 0
40 mol 252 unq 1 iso 0 dist 9.78185 17.5012 8.33025 6.79692 7.19638 14.9102 15.1099 6.0987 8.1148 10.5136 numMergedOcc 0
41 mol 252 unq 2 iso 0 dist 9.78185 16.8096 9.2288 17.5012 8.33025 8.41807 15.1099 6.0987 8.1715 8.1148 numMergedOcc 0
42 mol 252 unq 3 iso 0 dist 9.78185 16.8096 9.2288 6.79692 7.19638 11.7918 15.1099 6.0987 8.1715 10.5136 numMergedOcc 0
43 mol 259 unq 0 iso 0 dist 6.49599 14.1932 8.13497 13.8605 7.88519 4.69778 16.2468 10.582 8.53687 10.5767 numMergedOcc 0
44 mol 259 unq 1 iso 0 dist 6.49599 13.8605 7.88519 14.1932 8.13497 4.69778 9.34738 4.86771 7.84554 9.95973 numMergedOcc 0
45 mol 259 unq 2 iso 0 dist 6.49599 13.8605 7.88519 14.1932 8.13497 4.69778 9.47382 6.96053 7.46176 10.3935 numMergedOcc 0
46 mol 259 unq 3 iso 0 dist 6.49599 13.8605 7.88519 14.1932 8.13497 4.69778 14.8529 10.4881 9.18903 12.6839 numMergedOcc 0
47 mol 261 unq 0 iso 0 dist 7.26647 9.29412 8.43057 4.95196 7.73141 10.1239 10.6622 10.0727 8.02547 14.2688 numMergedOcc 0
48 mol 261 unq 1 iso 0 dist 7.26647 9.29412 8.43057 4.95196 7.73141 10.1239 7.7309 4.63549 6.05727 10.0703 numMergedOcc 0
49 mol 272 unq 0 iso 0 dist 7.66615 10.3544 8.46116 11.4664 9.97651 8.12676 7.22438 5.40809 8.33638 13.2494 numMergedOcc 0
