0 mol 7 unq 0 iso 0 dist 9.8603 13.8384 5.72491 16.6461 9.67164 8.0744 20.1368 10.789 9.55056 14.144 numMergedOcc 0
1 mol 7 unq 1 iso 0 dist 9.8603 13.8384 5.72491 16.6461 9.67164 8.0744 20.1827 10.515 7.45262 8.81608 numMergedOcc 0
2 mol 7 unq 2 iso 0 dist 5.51421 10.3237 7.88043 4.7739 5.99459 8.0744 16.9879 12.2708 9.55056 14.144 numMergedOcc 0
3 mol 7 unq 3 iso 0 dist 5.51421 10.3237 7.88043 4.7739 5.99459 8.0744 10.9688 6.06176 7.45262 8.81608 numMergedOcc 0
4 mol 7 unq 4 iso 0 dist 5.51421 13 8.80762 4.7739 5.99459 11.7002 16.9879 12.2708 7.57354 14.144 numMergedOcc 0
5 mol 7 unq 5 iso 0 dist 5.51421 13 8.80762 4.7739 5.99459 11.7002 10.9688 6.06176 6.96586 8.81608 numMergedOcc 0
6 mol 9 unq 0 iso 0 dist 8.46229 7.36079 7.05346 3.96333 8.30653 4.3947 16.4439 13.5628 9.82483 13.9961 numMergedOcc 0
7 mol 25 unq 0 iso 0 dist 8.6396 13.3963 6.6492 10.0172 7.52933 7.41888 12.5693 4.70708 8.5404 11.598 numMergedOcc 0
8 mol 25 unq 1 iso 0 dist 8.6396 13.3963 6.6492 5.23233 6.55597 8.89681 12.5693 4.70708 8.5404 11.1095 numMergedOcc 0
9 mol 25 unq 2 iso 0 dist 8.6396 13.3963 6.6492 13.5673 9.71956 6.97709 12.5693 4.70708 8.5404 11.6083 numMergedOcc 0
10 mol 25 unq 3 iso 0 dist 8.6396 13.3963 6.6492 10.4709 7.07751 5.5511 12.5693 4.70708 8.5404 10.1706 numMergedOcc 0
11 mol 25 unq 4 iso 0 dist 8.6396 13.3963 6.6492 12.2787 8.23761 4.38027 12.5693 4.70708 8.5404 11.6932 numMergedOcc 0
12 mol 25 unq 5 iso 0 dist 8.6396 13.3963 6.6492 13.591 9.49421 11.7199 12.5693 4.70708 8.5404 8.53931 numMergedOcc 0
13 mol 56 unq 0 iso 0 dist 7.20538 9.91757 6.77886 7.2452 9.03564 10.5332 15.2867 10.9467 5.86571 16.2662 numMergedOcc 0
14 mol 92 unq 0 iso 0 dist 7.5819 7.07175 8.65802 5.23795 9.33861 10.2518 14.9008 12.3813 9.20197 18.6152 numMergedOcc 0
15 mol 115 unq 0 iso 0 dist 5.02717 4.92962 5.72642 5.33827 7.69765 7.27912 14.0848 11.7126 9.9928 16.7897 numMergedOcc 0
16 mol 115 unq 1 iso 0 dist 5.02717 4.92962 5.72642 12.6105 9.42082 10.5109 14.0848 11.7126 9.9928 12.9982 numMergedOcc 0
17 mol 119 unq 0 iso 0 dist 8.44385 9.79485 7.99857 5.92411 6.99446 6.29394 10.2497 6.35763 9.87025 6.13374 numMergedOcc 0
18 mol 119 unq 1 iso 0 dist 8.44385 9.79485 7.99857 5.92411 6.99446 6.29394 13.4009 7.36192 5.85818 9.08536 numMergedOcc 0
19 mol 119 unq 2 iso 0 dist 5.63005 9.79485 8.56342 5.92411 7.64052 6.29394 10.2497 10.0197 9.87025 6.13374 numMergedOcc 0
20 mol 119 unq 3 iso 0 dist 5.63005 9.79485 8.56342 5.92411 7.64052 6.29394 13.4009 10.6679 5.85818 9.08536 numMergedOcc 0
21 mol 143 unq 0 iso 0 dist 8.30654 6.29937 8.41611 9.60065 7.36975 9.05786 10.2332 5.44503 6.40901 8.18023 numMergedOcc 0
22 mol 143 unq 1 iso 0 dist 8.30654 6.29937 8.41611 4.68518 5.40637 6.16103 10.2332 5.44503 6.40901 7.46803 numMergedOcc 0
23 mol 143 unq 2 iso 0 dist 8.30654 6.49958 7.63338 9.60065 7.36975 3.75378 11.674 6.01455 8.1582 7.05845 numMergedOcc 0
24 mol 143 unq 3 iso 0 dist 8.30654 6.49958 7.63338 9.60065 7.36975 3.75378 10.2332 5.44503 9.40626 8.18023 numMergedOcc 0
25 mol 143 unq 4 iso 0 dist 8.30654 6.49958 7.63338 4.68518 5.40637 8.4697 11.674 6.01455 8.1582 10.55 numMergedOcc 0
26 mol 143 unq 5 iso 0 dist 8.30654 6.49958 7.63338 4.68518 5.40637 8.4697 10.2332 5.44503 9.40626 7.46803 numMergedOcc 0
27 mol 143 unq 6 iso 0 dist 8.30654 5.82537 7.25673 9.60065 7.36975 9.30534 11.674 6.01455 7.88655 7.05845 numMergedOcc 0
28 mol 143 unq 7 iso 0 dist 8.30654 5.82537 7.25673 4.68518 5.40637 6.78032 11.674 6.01455 7.88655 10.55 numMergedOcc 0
29 mol 154 unq 0 iso 0 dist 6.23399 9.97577 7.72144 5.18463 8.33439 14.4682 12.7665 13.9336 9.47362 17.5983 numMergedOcc 0
30 mol 154 unq 1 iso 0 dist 6.23399 9.97577 7.72144 5.18463 8.33439 14.4682 11.937 6.53652 6.28417 14.6576 numMergedOcc 0
31 mol 159 unq 0 iso 0 dist 7.97007 6.23157 7.25742 3.82805 9.36259 5.34453 8.91189 4.57561 7.13269 10.7736 numMergedOcc 0
32 mol 186 unq 0 iso 0 dist 8.03995 9.52773 9.83476 11.8169 7.2793 6.38897 13.9063 13.1933 7.94153 11.0523 numMergedOcc 0
33 mol 186 unq 1 iso 0 dist 8.03995 9.52773 9.83476 14.1849 9.51091 8.93258 13.9063 13.1933 7.94153 14.1797 numMergedOcc 0
34 mol 186 unq 2 iso 0 dist 8.03995 9.52773 9.83476 3.85767 7.85184 11.924 13.9063 13.1933 7.94153 17.0388 numMergedOcc 0
35 mol 195 unq 0 iso 0 dist 7.63036 6.90444 6.60567 3.58901 7.41662 9.48862 16.6506 13.6975 9.79691 18.9952 numMergedOcc 0
36 mol 214 unq 0 iso 0 dist 9.51764 10.5029 6.38157 14.8375 7.46481 5.73082 11.3587 6.67959 5.10114 8.70987 numMergedOcc 0
37 mol 214 unq 1 iso 0 dist 5.36829 8.38755 6.38157 5.47184 7.46481 5.73082 10.5513 6.67959 5.10114 8.70987 numMergedOcc 0
38 mol 218 unq 0 iso 0 dist 7.0843 5.77167 6.29367 3.5359 8.75536 6.57708 8.27907 6.05563 6.86795 11.2108 numMergedOcc 0
39 mol 218 unq 1 iso 0 dist 7.0843 5.77167 6.29367 3.5359 8.75536 6.57708 12.023 8.36122 6.61099 12.5343 numMergedOcc 0
40 mol 218 unq 2 iso 0 dist 7.73315 9.58139 8.06216 3.5359 7.33709 7.4492 12.023 7.47048 9.67381 12.5343 numMergedOcc 0
41 mol 218 unq 3 iso 0 dist 7.73315 5.77167 5.76954 3.5359 7.33709 6.57708 8.27907 9.68444 6.86795 11.2108 numMergedOcc 0
42 mol 218 unq 4 iso 0 dist 7.73315 5.77167 5.76954 3.5359 7.33709 6.57708 12.023 7.47048 6.61099 12.5343 numMergedOcc 0
43 mol 218 unq 5 iso 0 dist 6.9398 5.77167 9.20961 3.5359 6.67404 6.57708 8.27907 11.4148 6.86795 11.2108 numMergedOcc 0
44 mol 218 unq 6 iso 0 dist 6.9398 5.77167 9.20961 3.5359 6.67404 6.57708 12.023 12.7963 6.61099 12.5343 numMergedOcc 0
45 mol 259 unq 0 iso 0 dist 9.54857 12.7168 8.55558 5.49348 5.85442 7.32929 10.5864 5.79468 6.39918 6.23661 numMergedOcc 0
46 mol 259 unq 1 iso 0 dist 9.54857 12.7168 8.55558 5.13138 6.95511 9.55426 10.5864 5.79468 6.39918 9.43105 numMergedOcc 0
47 mol 259 unq 2 iso 0 dist 6.42725 12.2782 8.59697 11.761 8.03219 4.67584 8.65525 5.31048 6.39918 8.84648 numMergedOcc 0
48 mol 259 unq 3 iso 0 dist 6.42725 12.2782 8.59697 6.09466 6.9899 7.32929 8.65525 5.31048 6.39918 6.23661 numMergedOcc 0
49 mol 277 unq 0 iso 0 dist 9.77689 9.41779 6.57903 17.8399 9.57499 14.6871 16.096 9.92201 7.25677 15.7984 numMergedOcc 0
50 mol 277 unq 1 iso 0 dist 8.51931 12.4389 6.57903 6.17642 9.57499 14.6871 16.2537 9.92201 7.25677 15.7984 numMergedOcc 0
