0 mol 7 unq 0 iso 0 dist 7.38748 7.15287 6.8464 6.22892 5.0893 8.41585 numMergedOcc 0
1 mol 14 unq 0 iso 0 dist 7.59564 6.24146 7.73217 6.30573 4.75873 9.04767 numMergedOcc 0
2 mol 14 unq 1 iso 0 dist 8.10957 4.81121 8.82819 6.30573 6.03847 9.7022 numMergedOcc 0
3 mol 14 unq 2 iso 0 dist 8.10957 7.95811 5.36937 6.30573 6.03847 9.58196 numMergedOcc 0
4 mol 14 unq 3 iso 0 dist 8.10957 6.24146 5.99703 6.30573 6.03847 9.04767 numMergedOcc 0
5 mol 24 unq 0 iso 0 dist 5.85737 6.88453 8.0319 13.0211 11.4109 6.86014 numMergedOcc 0
6 mol 43 unq 0 iso 0 dist 8.84944 14.9082 8.03754 22.5146 14.0204 8.80331 numMergedOcc 0
7 mol 43 unq 1 iso 0 dist 8.84944 14.9082 8.03754 19.6842 13.1056 6.20293 numMergedOcc 0
8 mol 43 unq 2 iso 0 dist 7.21995 4.80528 8.03754 12.8866 14.0204 8.80331 numMergedOcc 0
9 mol 43 unq 3 iso 0 dist 7.21995 4.80528 8.03754 10.6604 13.1056 6.20293 numMergedOcc 0
10 mol 43 unq 4 iso 0 dist 7.32913 6.9067 9.47348 13.3384 9.92508 8.93915 numMergedOcc 0
11 mol 61 unq 0 iso 0 dist 8.8795 10.0338 8.44473 16.1999 11.2947 6.65721 numMergedOcc 0
12 mol 61 unq 1 iso 0 dist 8.8795 10.0338 8.44473 12.1145 4.78811 6.72123 numMergedOcc 0
13 mol 64 unq 0 iso 0 dist 8.52643 15.4665 8.75668 15.3102 7.26966 9.67592 numMergedOcc 0
14 mol 64 unq 1 iso 0 dist 5.41357 9.95527 8.75668 12.3873 7.26966 9.67592 numMergedOcc 0
15 mol 73 unq 0 iso 0 dist 8.90896 18.2252 9.41049 12.8368 4.60412 5.93252 numMergedOcc 0
16 mol 75 unq 0 iso 0 dist 8.25597 5.56574 9.20448 13.0751 14.2474 7.79912 numMergedOcc 0
17 mol 75 unq 1 iso 0 dist 8.25597 5.56574 9.20448 12.1692 12.103 8.56639 numMergedOcc 0
18 mol 75 unq 2 iso 0 dist 8.25597 5.56574 9.20448 10.0315 5.76778 8.59017 numMergedOcc 0
19 mol 75 unq 3 iso 0 dist 4.76466 5.56574 6.96759 13.0751 13.8905 7.79912 numMergedOcc 0
20 mol 75 unq 4 iso 0 dist 4.76466 5.56574 6.96759 12.1692 12.899 8.56639 numMergedOcc 0
21 mol 75 unq 5 iso 0 dist 4.76466 5.56574 6.96759 10.0315 8.41332 8.59017 numMergedOcc 0
22 mol 75 unq 6 iso 0 dist 8.67172 5.56574 6.97318 13.0751 11.2774 7.79912 numMergedOcc 0
23 mol 75 unq 7 iso 0 dist 8.67172 5.56574 6.97318 12.1692 11.0206 8.56639 numMergedOcc 0
24 mol 75 unq 8 iso 0 dist 8.67172 5.56574 6.97318 10.0315 6.56982 8.59017 numMergedOcc 0
25 mol 78 unq 0 iso 0 dist 9.86325 9.54341 5.68286 13.2707 5.73349 7.9245 numMergedOcc 0
26 mol 92 unq 0 iso 0 dist 8.15664 6.09495 7.11695 10.869 14.4144 9.33898 numMergedOcc 0
27 mol 92 unq 1 iso 0 dist 8.15664 6.09495 7.11695 14.4679 9.54167 9.64443 numMergedOcc 0
28 mol 101 unq 0 iso 0 dist 7.1859 4.51951 8.65215 10.0014 9.17843 6.57035 numMergedOcc 0
29 mol 115 unq 0 iso 0 dist 9.33293 9.48465 7.9258 16.9836 10.9791 9.33865 numMergedOcc 0
30 mol 115 unq 1 iso 0 dist 9.33293 9.48465 7.9258 9.71126 4.75197 5.83991 numMergedOcc 0
31 mol 129 unq 0 iso 0 dist 9.52061 5.99695 8.59695 10.482 6.13737 5.83384 numMergedOcc 0
32 mol 129 unq 1 iso 0 dist 9.61101 6.29782 6.42706 10.514 5.12351 5.83384 numMergedOcc 0
33 mol 129 unq 2 iso 0 dist 7.6453 4.80675 8.00624 10.1938 15.4586 8.54584 numMergedOcc 0
34 mol 133 unq 0 iso 0 dist 8.8353 17.2988 9.47554 10.614 5.34829 7.11802 numMergedOcc 0
35 mol 133 unq 1 iso 0 dist 8.8353 17.2988 9.47554 15.7117 9.67676 8.00618 numMergedOcc 0
36 mol 152 unq 0 iso 0 dist 9.65031 14.069 8.41774 21.5408 13.1435 8.56324 numMergedOcc 0
37 mol 152 unq 1 iso 0 dist 9.65031 14.069 8.41774 19.3797 13.793 6.70283 numMergedOcc 0
38 mol 152 unq 2 iso 0 dist 9.65031 14.069 8.41774 15.7694 11.2124 7.16148 numMergedOcc 0
39 mol 152 unq 3 iso 0 dist 8.51844 4.46956 8.41774 12.7437 13.1435 8.56324 numMergedOcc 0
40 mol 152 unq 4 iso 0 dist 8.51844 4.46956 8.41774 10.5594 13.793 6.70283 numMergedOcc 0
41 mol 152 unq 5 iso 0 dist 8.51844 4.46956 8.41774 10.166 11.2124 7.16148 numMergedOcc 0
42 mol 170 unq 0 iso 0 dist 8.10386 12.9081 9.32245 13.5425 6.45787 9.76807 numMergedOcc 0
43 mol 204 unq 0 iso 0 dist 9.52029 18.5654 9.44947 16.9329 10.5243 7.10633 numMergedOcc 0
44 mol 204 unq 1 iso 0 dist 9.52029 18.5654 9.44947 17.8571 10.2677 8.51516 numMergedOcc 0
45 mol 220 unq 0 iso 0 dist 5.25149 6.19375 5.39218 15.0279 13.3213 9.23153 numMergedOcc 0
46 mol 220 unq 1 iso 0 dist 5.25149 6.19375 5.39218 13.2107 11.4842 8.24498 numMergedOcc 0
47 mol 224 unq 0 iso 0 dist 8.8113 16.607 8.80858 10.2166 4.46743 6.65832 numMergedOcc 0
48 mol 224 unq 1 iso 0 dist 8.8113 16.607 8.80858 13.6975 4.93626 6.60589 numMergedOcc 0
49 mol 224 unq 2 iso 0 dist 8.8113 16.607 8.80858 19.4037 11.8641 9.16166 numMergedOcc 0
50 mol 224 unq 3 iso 0 dist 6.23677 6.87755 7.49783 12.2287 12.8561 8.95269 numMergedOcc 0
51 mol 224 unq 4 iso 0 dist 9.04741 12.3271 7.49783 16.6527 12.8561 8.95269 numMergedOcc 0
52 mol 224 unq 5 iso 0 dist 7.31608 11.0252 7.49783 12.7763 12.8561 8.95269 numMergedOcc 0
53 mol 236 unq 0 iso 0 dist 4.71683 5.52669 9.44496 6.73134 7.41812 8.04248 numMergedOcc 0
54 mol 236 unq 1 iso 0 dist 4.71683 7.77821 7.87233 12.96 15.6279 9.81562 numMergedOcc 0
55 mol 236 unq 2 iso 0 dist 4.71683 7.77821 7.87233 10.8312 13.7246 7.68742 numMergedOcc 0
56 mol 236 unq 3 iso 0 dist 4.71683 7.77821 7.87233 11.2195 10.5269 6.27581 numMergedOcc 0
57 mol 236 unq 4 iso 0 dist 8.63249 10.2557 5.90804 9.97357 13.6195 9.99038 numMergedOcc 0
58 mol 236 unq 5 iso 0 dist 8.63249 10.2557 5.90804 6.36941 7.45579 6.27581 numMergedOcc 0
59 mol 236 unq 6 iso 0 dist 7.74348 6.49831 5.90804 16.3801 13.6195 9.99038 numMergedOcc 0
60 mol 236 unq 7 iso 0 dist 7.74348 6.49831 5.90804 12.2331 7.45579 6.27581 numMergedOcc 0
61 mol 239 unq 0 iso 0 dist 8.46734 6.03322 6.43546 11.9377 5.54495 7.00034 numMergedOcc 0
62 mol 258 unq 0 iso 0 dist 6.33567 6.51074 7.69358 10.3219 9.80642 6.97229 numMergedOcc 0
63 mol 258 unq 1 iso 0 dist 8.10903 9.78068 9.04358 14.0712 8.81588 6.60405 numMergedOcc 0
64 mol 258 unq 2 iso 0 dist 8.10903 9.78068 9.04358 8.81059 5.90131 6.42289 numMergedOcc 0
65 mol 261 unq 0 iso 0 dist 8.88741 6.5875 7.30472 7.15785 6.43209 8.02547 numMergedOcc 0
66 mol 261 unq 1 iso 0 dist 8.88741 6.5875 7.30472 13.1629 11.6843 8.43057 numMergedOcc 0
67 mol 261 unq 2 iso 0 dist 8.88741 6.5875 7.30472 9.43169 7.78464 6.05727 numMergedOcc 0
68 mol 277 unq 0 iso 0 dist 6.66936 7.44724 4.81916 14.2462 7.94155 9.7748 numMergedOcc 0
69 mol 277 unq 1 iso 0 dist 8.15119 5.77904 4.81916 8.35794 7.94155 9.7748 numMergedOcc 0
70 mol 280 unq 0 iso 0 dist 4.45141 6.07005 5.41639 10.6192 8.26589 6.53701 numMergedOcc 0
71 mol 280 unq 1 iso 0 dist 4.45141 7.38048 7.96485 10.6192 8.26589 6.0664 numMergedOcc 0
