0 mol 1 unq 0 iso 0 dist 5.65716 6.44928 6.09918 12.6791 7.94662 9.00903 numMergedOcc 0
1 mol 9 unq 0 iso 0 dist 9.93613 11.7623 9.78006 13.0231 3.98483 8.57077 numMergedOcc 0
2 mol 24 unq 0 iso 0 dist 8.70141 13.2653 4.93188 9.54519 4.33963 5.54419 numMergedOcc 0
3 mol 24 unq 1 iso 0 dist 8.70141 5.80023 9.24958 9.54519 4.33963 7.36323 numMergedOcc 0
4 mol 25 unq 0 iso 0 dist 5.97432 6.17631 5.81959 9.87281 7.63409 7.31767 numMergedOcc 0
5 mol 25 unq 1 iso 0 dist 5.97432 6.17631 5.81959 7.63928 8.4666 6.03987 numMergedOcc 0
6 mol 25 unq 2 iso 0 dist 5.97432 5.59268 6.90155 10.5993 9.36158 7.57578 numMergedOcc 0
7 mol 25 unq 3 iso 0 dist 5.97432 5.59268 6.90155 8.88413 10.1525 7.17969 numMergedOcc 0
8 mol 26 unq 0 iso 0 dist 6.73259 4.09495 5.69955 10.8071 10.6756 8.34347 numMergedOcc 0
9 mol 26 unq 1 iso 0 dist 8.60352 8.26353 5.69955 15.7585 10.6756 8.34347 numMergedOcc 0
10 mol 26 unq 2 iso 0 dist 9.46609 13.1626 8.44506 20.5634 13.2876 8.34347 numMergedOcc 0
11 mol 45 unq 0 iso 0 dist 6.15568 4.18584 6.06454 7.19021 5.73693 6.43774 numMergedOcc 0
12 mol 45 unq 1 iso 0 dist 6.15568 9.0702 9.44459 7.19021 5.73693 7.2846 numMergedOcc 0
13 mol 45 unq 2 iso 0 dist 6.15568 9.0702 9.44459 14.4598 11.6164 7.58835 numMergedOcc 0
14 mol 71 unq 0 iso 0 dist 7.23173 4.93292 7.77916 7.35142 6.6504 7.38797 numMergedOcc 0
15 mol 112 unq 0 iso 0 dist 7.98999 6.68714 7.23962 7.15985 3.98564 9.60462 numMergedOcc 0
16 mol 112 unq 1 iso 0 dist 7.98999 6.71889 7.30204 7.15985 3.98564 7.45389 numMergedOcc 0
17 mol 120 unq 0 iso 0 dist 9.27951 5.89379 8.93905 12.2464 7.27181 8.75408 numMergedOcc 0
18 mol 120 unq 1 iso 0 dist 9.27951 5.89379 8.93905 11.2107 10.5192 6.44653 numMergedOcc 0
19 mol 130 unq 0 iso 0 dist 7.62584 11.4663 8.33077 10.9469 5.97111 8.70949 numMergedOcc 0
20 mol 130 unq 1 iso 0 dist 7.39532 3.96103 8.33077 5.49877 5.97111 8.70949 numMergedOcc 0
21 mol 131 unq 0 iso 0 dist 5.33314 11.1522 8.86329 11.0728 5.89022 8.40312 numMergedOcc 0
22 mol 131 unq 1 iso 0 dist 5.33314 11.4573 8.71039 11.0728 5.89022 7.12972 numMergedOcc 0
23 mol 175 unq 0 iso 0 dist 9.08628 4.358 8.0154 10.4663 4.24624 9.29945 numMergedOcc 0
24 mol 175 unq 1 iso 0 dist 8.35581 9.63193 8.0154 12.4136 4.24624 9.29945 numMergedOcc 0
25 mol 175 unq 2 iso 0 dist 6.72569 8.97821 8.0154 10.1817 4.24624 9.29945 numMergedOcc 0
26 mol 175 unq 3 iso 0 dist 8.4673 4.27736 5.4969 12.4261 12.3408 9.29945 numMergedOcc 0
27 mol 175 unq 4 iso 0 dist 9.12296 4.27736 7.35824 12.4261 12.5754 9.29945 numMergedOcc 0
28 mol 210 unq 0 iso 0 dist 7.31388 3.84723 5.37446 8.62103 9.59996 6.18308 numMergedOcc 0
29 mol 227 unq 0 iso 0 dist 8.12518 12.3465 8.38865 15 11.0628 7.22101 numMergedOcc 0
30 mol 227 unq 1 iso 0 dist 8.12518 12.3465 8.38865 17.8923 12.9587 7.09863 numMergedOcc 0
31 mol 227 unq 2 iso 0 dist 8.12518 7.2593 5.4694 15 11.0628 8.65997 numMergedOcc 0
32 mol 236 unq 0 iso 0 dist 8.38439 4.15973 8.50331 12.3675 7.22918 9.81562 numMergedOcc 0
33 mol 236 unq 1 iso 0 dist 8.38439 4.15973 8.50331 11.0771 9.05842 7.68742 numMergedOcc 0
34 mol 236 unq 2 iso 0 dist 8.38439 4.15973 8.50331 5.66569 7.00028 6.27581 numMergedOcc 0
35 mol 252 unq 0 iso 0 dist 5.22349 8.32163 6.11473 13.1438 9.32326 8.1148 numMergedOcc 0
36 mol 252 unq 1 iso 0 dist 5.22349 8.32163 6.11473 10.901 5.72783 8.1715 numMergedOcc 0
37 mol 252 unq 2 iso 0 dist 9.81593 8.32163 8.47784 13.1438 5.89666 8.1148 numMergedOcc 0
38 mol 252 unq 3 iso 0 dist 9.81593 8.32163 8.47784 10.901 10.672 8.1715 numMergedOcc 0
39 mol 252 unq 4 iso 0 dist 9.78248 16.5062 8.47784 12.98 5.89666 8.1148 numMergedOcc 0
40 mol 252 unq 5 iso 0 dist 9.78248 16.5062 8.47784 20.1757 10.672 8.1715 numMergedOcc 0
41 mol 258 unq 0 iso 0 dist 8.15795 12.227 9.53063 10.6749 6.6525 6.60405 numMergedOcc 0
42 mol 258 unq 1 iso 0 dist 8.15795 12.227 9.53063 11.4077 5.27959 6.42289 numMergedOcc 0
43 mol 258 unq 2 iso 0 dist 8.78354 11.5659 6.70815 15.0351 7.42673 6.60405 numMergedOcc 0
44 mol 258 unq 3 iso 0 dist 8.78354 11.716 7.99477 15.0351 7.42673 6.42289 numMergedOcc 0
45 mol 264 unq 0 iso 0 dist 8.28871 13.8765 6.14323 19.6488 13.0621 9.17653 numMergedOcc 0
46 mol 264 unq 1 iso 0 dist 7.94668 6.12009 6.14323 10.7664 13.0621 9.17653 numMergedOcc 0
47 mol 272 unq 0 iso 0 dist 8.36282 9.49608 9.64269 12.3257 4.86504 9.97651 numMergedOcc 0
48 mol 272 unq 1 iso 0 dist 8.36282 12.8166 8.46061 16.7222 8.7909 8.33638 numMergedOcc 0
49 mol 272 unq 2 iso 0 dist 8.36282 12.8166 8.46061 12.3257 4.86504 8.46116 numMergedOcc 0
50 mol 272 unq 3 iso 0 dist 8.60979 9.38679 9.19033 15.9687 10.26 9.97651 numMergedOcc 0
51 mol 272 unq 4 iso 0 dist 8.60979 9.38679 9.19033 14.5021 13.5034 8.46116 numMergedOcc 0
52 mol 274 unq 0 iso 0 dist 7.65671 5.9882 9.56685 9.71801 5.90436 7.56915 numMergedOcc 0
53 mol 274 unq 1 iso 0 dist 7.65671 5.9882 9.56685 13.4994 12.106 8.49997 numMergedOcc 0
54 mol 274 unq 2 iso 0 dist 7.3996 5.9882 8.49922 9.71801 9.27829 7.56915 numMergedOcc 0
55 mol 274 unq 3 iso 0 dist 7.3996 5.9882 8.49922 13.4994 12.9674 8.49997 numMergedOcc 0
