0 mol 18 unq 0 iso 0 dist 5.03976 5.02571 8.52106 6.78812 6.32451 5.51376 numMergedOcc 0
1 mol 18 unq 0 iso 1 dist 5.03976 6.78812 6.32451 5.02571 8.52106 5.51376 numMergedOcc 0
2 mol 26 unq 0 iso 0 dist 9.08976 13.1105 8.82012 4.76147 9.16962 13.2136 numMergedOcc 0
3 mol 26 unq 0 iso 1 dist 9.08976 4.76147 9.16962 13.1105 8.82012 13.2136 numMergedOcc 0
4 mol 64 unq 0 iso 0 dist 9.31622 9.78246 8.68586 4.23724 9.54144 10.6748 numMergedOcc 0
5 mol 64 unq 0 iso 1 dist 9.31622 4.23724 9.54144 9.78246 8.68586 10.6748 numMergedOcc 0
6 mol 75 unq 0 iso 0 dist 8.20634 4.88613 6.33365 10.3882 5.15851 9.02771 numMergedOcc 0
7 mol 75 unq 0 iso 1 dist 8.20634 10.3882 5.15851 4.88613 6.33365 9.02771 numMergedOcc 0
8 mol 100 unq 0 iso 0 dist 6.18729 4.73852 9.39469 4.58978 4.76815 6.90824 numMergedOcc 0
9 mol 100 unq 0 iso 1 dist 6.18729 4.58978 4.76815 4.73852 9.39469 6.90824 numMergedOcc 0
10 mol 117 unq 0 iso 0 dist 9.77482 5.17524 6.62561 10.7342 7.63616 7.22206 numMergedOcc 0
11 mol 117 unq 0 iso 1 dist 9.77482 10.7342 7.63616 5.17524 6.62561 7.22206 numMergedOcc 0
12 mol 119 unq 0 iso 0 dist 9.70951 12.9683 7.39889 9.43252 9.63176 11.6667 numMergedOcc 0
13 mol 119 unq 0 iso 1 dist 9.70951 9.43252 9.63176 12.9683 7.39889 11.6667 numMergedOcc 0
14 mol 119 unq 1 iso 0 dist 9.70951 12.9683 7.39889 5.53626 7.44174 11.3169 numMergedOcc 0
15 mol 119 unq 1 iso 1 dist 9.70951 5.53626 7.44174 12.9683 7.39889 11.3169 numMergedOcc 0
16 mol 119 unq 1 iso 0 dist 9.70951 9.43252 9.63176 5.53626 7.44174 12.4603 numMergedOcc 0
17 mol 119 unq 1 iso 1 dist 9.70951 5.53626 7.44174 9.43252 9.63176 12.4603 numMergedOcc 0
18 mol 130 unq 0 iso 0 dist 9.02079 6.79537 9.12581 8.50937 8.74308 7.50049 numMergedOcc 0
19 mol 130 unq 0 iso 1 dist 9.02079 8.50937 8.74308 6.79537 9.12581 7.50049 numMergedOcc 0
20 mol 141 unq 0 iso 0 dist 7.6461 4.93029 6.93652 5.83329 9.54444 5.67306 numMergedOcc 0
21 mol 141 unq 0 iso 1 dist 7.6461 5.83329 9.54444 4.93029 6.93652 5.67306 numMergedOcc 0
22 mol 141 unq 1 iso 0 dist 7.1093 10.5394 6.93652 12.6317 9.54444 5.67306 numMergedOcc 0
23 mol 141 unq 1 iso 1 dist 7.1093 12.6317 9.54444 10.5394 6.93652 5.67306 numMergedOcc 0
24 mol 141 unq 2 iso 0 dist 7.36421 11.2797 6.93652 10.6361 9.54444 5.67306 numMergedOcc 0
25 mol 141 unq 2 iso 1 dist 7.36421 10.6361 9.54444 11.2797 6.93652 5.67306 numMergedOcc 0
26 mol 213 unq 0 iso 0 dist 8.6925 5.69131 8.45368 16.447 9.59129 13.7995 numMergedOcc 0
27 mol 213 unq 0 iso 1 dist 8.6925 16.447 9.59129 5.69131 8.45368 13.7995 numMergedOcc 0
28 mol 235 unq 0 iso 0 dist 7.79898 11.3444 9.58736 5.04474 9.43058 9.85037 numMergedOcc 0
29 mol 235 unq 0 iso 1 dist 7.79898 5.04474 9.43058 11.3444 9.58736 9.85037 numMergedOcc 0
30 mol 235 unq 1 iso 0 dist 7.79898 11.3444 9.58736 5.84429 8.75735 13.6669 numMergedOcc 0
31 mol 235 unq 1 iso 1 dist 7.79898 5.84429 8.75735 11.3444 9.58736 13.6669 numMergedOcc 0
32 mol 235 unq 2 iso 0 dist 7.79898 11.3444 9.58736 11.1685 6.98084 16.4493 numMergedOcc 0
33 mol 235 unq 2 iso 1 dist 7.79898 11.1685 6.98084 11.3444 9.58736 16.4493 numMergedOcc 0
34 mol 235 unq 3 iso 0 dist 7.79898 11.3444 9.58736 13.5816 7.32211 15.4 numMergedOcc 0
35 mol 235 unq 3 iso 1 dist 7.79898 13.5816 7.32211 11.3444 9.58736 15.4 numMergedOcc 0
36 mol 235 unq 1 iso 0 dist 7.79898 5.04474 9.43058 5.84429 8.75735 5.52217 numMergedOcc 0
37 mol 235 unq 1 iso 1 dist 7.79898 5.84429 8.75735 5.04474 9.43058 5.52217 numMergedOcc 0
38 mol 235 unq 2 iso 0 dist 7.79898 5.04474 9.43058 11.1685 6.98084 14.4362 numMergedOcc 0
39 mol 235 unq 2 iso 1 dist 7.79898 11.1685 6.98084 5.04474 9.43058 14.4362 numMergedOcc 0
40 mol 235 unq 3 iso 0 dist 7.79898 5.04474 9.43058 13.5816 7.32211 14.4107 numMergedOcc 0
41 mol 235 unq 3 iso 1 dist 7.79898 13.5816 7.32211 5.04474 9.43058 14.4107 numMergedOcc 0
42 mol 235 unq 2 iso 0 dist 7.79898 5.84429 8.75735 11.1685 6.98084 11.3519 numMergedOcc 0
43 mol 235 unq 2 iso 1 dist 7.79898 11.1685 6.98084 5.84429 8.75735 11.3519 numMergedOcc 0
44 mol 235 unq 3 iso 0 dist 7.79898 5.84429 8.75735 13.5816 7.32211 11.3789 numMergedOcc 0
45 mol 235 unq 3 iso 1 dist 7.79898 13.5816 7.32211 5.84429 8.75735 11.3789 numMergedOcc 0
46 mol 235 unq 3 iso 0 dist 7.79898 11.1685 6.98084 13.5816 7.32211 7.218 numMergedOcc 0
47 mol 235 unq 3 iso 1 dist 7.79898 13.5816 7.32211 11.1685 6.98084 7.218 numMergedOcc 0
48 mol 238 unq 0 iso 0 dist 6.59305 4.88998 5.38637 5.87189 6.55759 5.42006 numMergedOcc 0
49 mol 238 unq 0 iso 1 dist 6.59305 5.87189 6.55759 4.88998 5.38637 5.42006 numMergedOcc 0
50 mol 238 unq 1 iso 0 dist 8.58887 11.959 8.14172 9.02336 6.77463 5.31152 numMergedOcc 0
51 mol 238 unq 1 iso 1 dist 8.58887 9.02336 6.77463 11.959 8.14172 5.31152 numMergedOcc 0
