0 mol 11 unq 0 iso 0 dist 5.95165 6.50001 4.10106 4.46394 5.96346 6.859 numMergedOcc 0
1 mol 24 unq 0 iso 0 dist 9.54519 6.36381 5.50396 12.1061 8.4051 9.84204 numMergedOcc 0
2 mol 24 unq 1 iso 0 dist 9.54519 6.36381 5.50396 6.53276 8.23446 4.44526 numMergedOcc 0
3 mol 24 unq 2 iso 0 dist 9.54519 6.36381 5.50396 6.81998 8.75662 9.586 numMergedOcc 0
4 mol 24 unq 3 iso 0 dist 6.11056 8.94703 4.79736 11.095 8.60554 13.0764 numMergedOcc 0
5 mol 24 unq 4 iso 0 dist 6.11056 8.94703 4.79736 4.04757 8.44664 9.98592 numMergedOcc 0
6 mol 24 unq 5 iso 0 dist 6.11056 8.94703 4.79736 6.66757 9.44691 13.2105 numMergedOcc 0
7 mol 25 unq 0 iso 0 dist 8.40051 5.77745 5.63212 4.32173 6.16347 5.20109 numMergedOcc 0
8 mol 25 unq 1 iso 0 dist 8.40051 5.77745 5.63212 15.9662 7.92503 13.0308 numMergedOcc 0
9 mol 25 unq 2 iso 0 dist 8.6396 5.77745 6.47509 4.32173 7.45383 5.20109 numMergedOcc 0
10 mol 25 unq 3 iso 0 dist 8.6396 5.77745 6.47509 16.0077 9.01548 12.506 numMergedOcc 0
11 mol 25 unq 4 iso 0 dist 8.88413 8.27137 11.4148 10.7087 7.55264 9.35791 numMergedOcc 0
12 mol 25 unq 5 iso 0 dist 7.63928 8.27137 14.321 9.78075 6.85556 16.7474 numMergedOcc 0
13 mol 44 unq 0 iso 0 dist 9.96265 7.61923 6.16718 12.8967 9.6782 13.4061 numMergedOcc 0
14 mol 44 unq 1 iso 0 dist 9.70459 5.11941 6.16718 13.4256 9.6782 13.4061 numMergedOcc 0
15 mol 44 unq 2 iso 0 dist 7.78905 5.84744 6.16718 9.64095 9.6782 13.4061 numMergedOcc 0
16 mol 56 unq 0 iso 0 dist 7.20538 7.93171 9.96534 3.63144 7.16773 11.1705 numMergedOcc 0
17 mol 58 unq 0 iso 0 dist 6.36193 8.85156 4.23671 4.37642 5.93884 9.53438 numMergedOcc 0
18 mol 58 unq 1 iso 0 dist 4.88613 8.85156 5.6823 4.37642 7.68678 9.53438 numMergedOcc 0
19 mol 73 unq 0 iso 0 dist 8.67532 9.762 5.9144 7.05537 6.02816 11.049 numMergedOcc 0
20 mol 98 unq 0 iso 0 dist 5.9747 8.3505 3.9764 7.43001 6.65501 4.62494 numMergedOcc 0
21 mol 98 unq 1 iso 0 dist 5.9747 7.34638 7.03983 7.43001 6.65501 9.84743 numMergedOcc 0
22 mol 98 unq 2 iso 0 dist 4.50572 6.0995 7.03983 9.5305 6.65501 9.84743 numMergedOcc 0
23 mol 98 unq 3 iso 0 dist 4.50572 9.25525 13.1657 9.5305 6.65501 17.7829 numMergedOcc 0
24 mol 109 unq 0 iso 0 dist 8.3164 9.94704 5.00433 4.81814 7.80523 7.56755 numMergedOcc 0
25 mol 109 unq 1 iso 0 dist 8.3164 8.30089 6.35679 4.81814 7.80523 10.5546 numMergedOcc 0
26 mol 119 unq 0 iso 0 dist 6.40546 5.90003 10.5082 5.73999 8.99399 9.6153 numMergedOcc 0
27 mol 119 unq 1 iso 0 dist 6.18763 9.10803 9.85023 6.49348 8.00003 6.18678 numMergedOcc 0
28 mol 119 unq 2 iso 0 dist 8.44385 9.10803 12.4829 4.01593 9.11344 12.1689 numMergedOcc 0
29 mol 119 unq 3 iso 0 dist 5.63005 9.10803 8.84069 4.01593 6.52773 12.1689 numMergedOcc 0
30 mol 119 unq 4 iso 0 dist 5.63005 9.10803 8.84069 13.1254 9.23858 12.2731 numMergedOcc 0
31 mol 129 unq 0 iso 0 dist 6.38163 6.53559 6.28232 7.03404 6.28565 10.9495 numMergedOcc 0
32 mol 129 unq 1 iso 0 dist 6.38163 6.53559 6.28232 4.92611 7.58957 6.34626 numMergedOcc 0
33 mol 129 unq 2 iso 0 dist 6.38163 7.90844 12.3705 7.03404 6.28565 14.5783 numMergedOcc 0
34 mol 129 unq 3 iso 0 dist 6.38163 7.90844 12.3705 4.92611 7.58957 11.4468 numMergedOcc 0
35 mol 131 unq 0 iso 0 dist 6.31125 9.10434 3.98662 11.127 9.90168 10.0568 numMergedOcc 0
36 mol 155 unq 0 iso 0 dist 4.44292 7.25009 7.10286 5.45915 6.53347 9.24038 numMergedOcc 0
37 mol 171 unq 0 iso 0 dist 6.07091 6.51523 7.5383 4.98945 9.61462 7.47964 numMergedOcc 0
38 mol 212 unq 0 iso 0 dist 5.87223 5.03184 3.9436 9.39384 9.74144 12.0526 numMergedOcc 0
39 mol 212 unq 1 iso 0 dist 5.87223 5.03184 3.9436 6.48939 8.69988 9.10288 numMergedOcc 0
40 mol 212 unq 2 iso 0 dist 5.87223 5.03184 3.9436 5.81626 8.55903 6.19798 numMergedOcc 0
41 mol 212 unq 3 iso 0 dist 5.87223 5.03184 3.9436 5.94698 7.15603 9.32123 numMergedOcc 0
42 mol 227 unq 0 iso 0 dist 9.07872 7.90991 13.2135 4.21811 6.02296 10.7057 numMergedOcc 0
43 mol 236 unq 0 iso 0 dist 7.89744 9.94117 14.162 5.55311 7.1686 13.474 numMergedOcc 0
44 mol 237 unq 0 iso 0 dist 9.42743 9.58403 11.815 11.5107 6.99315 13.7925 numMergedOcc 0
45 mol 238 unq 0 iso 0 dist 9.32451 9.99194 5.27215 16.2294 8.94014 12.1725 numMergedOcc 0
46 mol 244 unq 0 iso 0 dist 7.65388 9.11416 6.89444 4.38246 5.50492 10.238 numMergedOcc 0
47 mol 274 unq 0 iso 0 dist 6.55855 4.97796 8.87855 6.70266 9.45514 9.65868 numMergedOcc 0
48 mol 274 unq 1 iso 0 dist 6.55855 4.97796 8.87855 5.15747 6.39866 8.60027 numMergedOcc 0
49 mol 274 unq 2 iso 0 dist 9.52894 4.97796 13.0867 6.70266 7.1729 9.65868 numMergedOcc 0
50 mol 274 unq 3 iso 0 dist 9.71801 7.15079 11.4471 4.36131 8.52587 10.0206 numMergedOcc 0
51 mol 292 unq 0 iso 0 dist 5.75596 9.7061 5.50627 8.07013 7.83341 12.2918 numMergedOcc 0
