0 mol 43 unq 0 iso 0 dist 8.84944 14.9082 8.03754 22.5146 14.0204 8.80331 19.6842 13.1056 6.20293 8.13395 numMergedOcc 0
1 mol 43 unq 0 iso 1 dist 8.84944 14.9082 8.03754 19.6842 13.1056 6.20293 22.5146 14.0204 8.80331 8.13395 numMergedOcc 0
2 mol 43 unq 1 iso 0 dist 7.21995 4.80528 8.03754 12.8866 14.0204 8.80331 10.6604 13.1056 6.20293 8.13395 numMergedOcc 0
3 mol 43 unq 1 iso 1 dist 7.21995 4.80528 8.03754 10.6604 13.1056 6.20293 12.8866 14.0204 8.80331 8.13395 numMergedOcc 0
4 mol 61 unq 0 iso 0 dist 8.8795 10.0338 8.44473 16.1999 11.2947 6.65721 12.1145 4.78811 6.72123 6.86346 numMergedOcc 0
5 mol 61 unq 0 iso 1 dist 8.8795 10.0338 8.44473 12.1145 4.78811 6.72123 16.1999 11.2947 6.65721 6.86346 numMergedOcc 0
6 mol 75 unq 0 iso 0 dist 8.25597 5.56574 9.20448 13.0751 14.2474 7.79912 12.1692 12.103 8.56639 5.64643 numMergedOcc 0
7 mol 75 unq 0 iso 1 dist 8.25597 5.56574 9.20448 12.1692 12.103 8.56639 13.0751 14.2474 7.79912 5.64643 numMergedOcc 0
8 mol 75 unq 1 iso 0 dist 8.25597 5.56574 9.20448 13.0751 14.2474 7.79912 10.0315 5.76778 8.59017 10.4899 numMergedOcc 0
9 mol 75 unq 1 iso 1 dist 8.25597 5.56574 9.20448 10.0315 5.76778 8.59017 13.0751 14.2474 7.79912 10.4899 numMergedOcc 0
10 mol 75 unq 1 iso 0 dist 8.25597 5.56574 9.20448 12.1692 12.103 8.56639 10.0315 5.76778 8.59017 7.00674 numMergedOcc 0
11 mol 75 unq 1 iso 1 dist 8.25597 5.56574 9.20448 10.0315 5.76778 8.59017 12.1692 12.103 8.56639 7.00674 numMergedOcc 0
12 mol 75 unq 2 iso 0 dist 4.76466 5.56574 6.96759 13.0751 13.8905 7.79912 12.1692 12.899 8.56639 5.64643 numMergedOcc 0
13 mol 75 unq 2 iso 1 dist 4.76466 5.56574 6.96759 12.1692 12.899 8.56639 13.0751 13.8905 7.79912 5.64643 numMergedOcc 0
14 mol 75 unq 3 iso 0 dist 4.76466 5.56574 6.96759 13.0751 13.8905 7.79912 10.0315 8.41332 8.59017 10.4899 numMergedOcc 0
15 mol 75 unq 3 iso 1 dist 4.76466 5.56574 6.96759 10.0315 8.41332 8.59017 13.0751 13.8905 7.79912 10.4899 numMergedOcc 0
16 mol 75 unq 3 iso 0 dist 4.76466 5.56574 6.96759 12.1692 12.899 8.56639 10.0315 8.41332 8.59017 7.00674 numMergedOcc 0
17 mol 75 unq 3 iso 1 dist 4.76466 5.56574 6.96759 10.0315 8.41332 8.59017 12.1692 12.899 8.56639 7.00674 numMergedOcc 0
18 mol 75 unq 4 iso 0 dist 8.67172 5.56574 6.97318 13.0751 11.2774 7.79912 12.1692 11.0206 8.56639 5.64643 numMergedOcc 0
19 mol 75 unq 4 iso 1 dist 8.67172 5.56574 6.97318 12.1692 11.0206 8.56639 13.0751 11.2774 7.79912 5.64643 numMergedOcc 0
20 mol 75 unq 5 iso 0 dist 8.67172 5.56574 6.97318 13.0751 11.2774 7.79912 10.0315 6.56982 8.59017 10.4899 numMergedOcc 0
21 mol 75 unq 5 iso 1 dist 8.67172 5.56574 6.97318 10.0315 6.56982 8.59017 13.0751 11.2774 7.79912 10.4899 numMergedOcc 0
22 mol 75 unq 5 iso 0 dist 8.67172 5.56574 6.97318 12.1692 11.0206 8.56639 10.0315 6.56982 8.59017 7.00674 numMergedOcc 0
23 mol 75 unq 5 iso 1 dist 8.67172 5.56574 6.97318 10.0315 6.56982 8.59017 12.1692 11.0206 8.56639 7.00674 numMergedOcc 0
24 mol 92 unq 0 iso 0 dist 8.15664 6.09495 7.11695 10.869 14.4144 9.33898 14.4679 9.54167 9.64443 13.1316 numMergedOcc 0
25 mol 92 unq 0 iso 1 dist 8.15664 6.09495 7.11695 14.4679 9.54167 9.64443 10.869 14.4144 9.33898 13.1316 numMergedOcc 0
26 mol 115 unq 0 iso 0 dist 9.33293 9.48465 7.9258 16.9836 10.9791 9.33865 9.71126 4.75197 5.83991 7.69052 numMergedOcc 0
27 mol 115 unq 0 iso 1 dist 9.33293 9.48465 7.9258 9.71126 4.75197 5.83991 16.9836 10.9791 9.33865 7.69052 numMergedOcc 0
28 mol 133 unq 0 iso 0 dist 8.8353 17.2988 9.47554 10.614 5.34829 7.11802 15.7117 9.67676 8.00618 8.18495 numMergedOcc 0
29 mol 133 unq 0 iso 1 dist 8.8353 17.2988 9.47554 15.7117 9.67676 8.00618 10.614 5.34829 7.11802 8.18495 numMergedOcc 0
30 mol 152 unq 0 iso 0 dist 9.65031 14.069 8.41774 21.5408 13.1435 8.56324 19.3797 13.793 6.70283 7.65448 numMergedOcc 0
31 mol 152 unq 0 iso 1 dist 9.65031 14.069 8.41774 19.3797 13.793 6.70283 21.5408 13.1435 8.56324 7.65448 numMergedOcc 0
32 mol 152 unq 1 iso 0 dist 9.65031 14.069 8.41774 21.5408 13.1435 8.56324 15.7694 11.2124 7.16148 10.6875 numMergedOcc 0
33 mol 152 unq 1 iso 1 dist 9.65031 14.069 8.41774 15.7694 11.2124 7.16148 21.5408 13.1435 8.56324 10.6875 numMergedOcc 0
34 mol 152 unq 1 iso 0 dist 9.65031 14.069 8.41774 19.3797 13.793 6.70283 15.7694 11.2124 7.16148 5.49936 numMergedOcc 0
35 mol 152 unq 1 iso 1 dist 9.65031 14.069 8.41774 15.7694 11.2124 7.16148 19.3797 13.793 6.70283 5.49936 numMergedOcc 0
36 mol 152 unq 2 iso 0 dist 8.51844 4.46956 8.41774 12.7437 13.1435 8.56324 10.5594 13.793 6.70283 7.65448 numMergedOcc 0
37 mol 152 unq 2 iso 1 dist 8.51844 4.46956 8.41774 10.5594 13.793 6.70283 12.7437 13.1435 8.56324 7.65448 numMergedOcc 0
38 mol 152 unq 3 iso 0 dist 8.51844 4.46956 8.41774 12.7437 13.1435 8.56324 10.166 11.2124 7.16148 10.6875 numMergedOcc 0
39 mol 152 unq 3 iso 1 dist 8.51844 4.46956 8.41774 10.166 11.2124 7.16148 12.7437 13.1435 8.56324 10.6875 numMergedOcc 0
40 mol 152 unq 3 iso 0 dist 8.51844 4.46956 8.41774 10.5594 13.793 6.70283 10.166 11.2124 7.16148 5.49936 numMergedOcc 0
41 mol 152 unq 3 iso 1 dist 8.51844 4.46956 8.41774 10.166 11.2124 7.16148 10.5594 13.793 6.70283 5.49936 numMergedOcc 0
42 mol 204 unq 0 iso 0 dist 9.52029 18.5654 9.44947 16.9329 10.5243 7.10633 17.8571 10.2677 8.51516 10.8344 numMergedOcc 0
43 mol 204 unq 0 iso 1 dist 9.52029 18.5654 9.44947 17.8571 10.2677 8.51516 16.9329 10.5243 7.10633 10.8344 numMergedOcc 0
44 mol 220 unq 0 iso 0 dist 5.25149 6.19375 5.39218 15.0279 13.3213 9.23153 13.2107 11.4842 8.24498 10.5449 numMergedOcc 0
45 mol 220 unq 0 iso 1 dist 5.25149 6.19375 5.39218 13.2107 11.4842 8.24498 15.0279 13.3213 9.23153 10.5449 numMergedOcc 0
46 mol 224 unq 0 iso 0 dist 8.8113 16.607 8.80858 10.2166 4.46743 6.65832 13.6975 4.93626 6.60589 6.77699 numMergedOcc 0
47 mol 224 unq 0 iso 1 dist 8.8113 16.607 8.80858 13.6975 4.93626 6.60589 10.2166 4.46743 6.65832 6.77699 numMergedOcc 0
48 mol 224 unq 1 iso 0 dist 8.8113 16.607 8.80858 10.2166 4.46743 6.65832 19.4037 11.8641 9.16166 11.328 numMergedOcc 0
49 mol 224 unq 1 iso 1 dist 8.8113 16.607 8.80858 19.4037 11.8641 9.16166 10.2166 4.46743 6.65832 11.328 numMergedOcc 0
50 mol 224 unq 1 iso 0 dist 8.8113 16.607 8.80858 13.6975 4.93626 6.60589 19.4037 11.8641 9.16166 8.49799 numMergedOcc 0
51 mol 224 unq 1 iso 1 dist 8.8113 16.607 8.80858 19.4037 11.8641 9.16166 13.6975 4.93626 6.60589 8.49799 numMergedOcc 0
52 mol 236 unq 0 iso 0 dist 4.71683 7.77821 7.87233 12.96 15.6279 9.81562 10.8312 13.7246 7.68742 5.79505 numMergedOcc 0
53 mol 236 unq 0 iso 1 dist 4.71683 7.77821 7.87233 10.8312 13.7246 7.68742 12.96 15.6279 9.81562 5.79505 numMergedOcc 0
54 mol 236 unq 1 iso 0 dist 4.71683 7.77821 7.87233 12.96 15.6279 9.81562 11.2195 10.5269 6.27581 9.90963 numMergedOcc 0
55 mol 236 unq 1 iso 1 dist 4.71683 7.77821 7.87233 11.2195 10.5269 6.27581 12.96 15.6279 9.81562 9.90963 numMergedOcc 0
56 mol 236 unq 1 iso 0 dist 4.71683 7.77821 7.87233 10.8312 13.7246 7.68742 11.2195 10.5269 6.27581 11.3368 numMergedOcc 0
57 mol 236 unq 1 iso 1 dist 4.71683 7.77821 7.87233 11.2195 10.5269 6.27581 10.8312 13.7246 7.68742 11.3368 numMergedOcc 0
58 mol 236 unq 2 iso 0 dist 8.63249 10.2557 5.90804 9.97357 13.6195 9.99038 6.36941 7.45579 6.27581 7.28249 numMergedOcc 0
59 mol 236 unq 2 iso 1 dist 8.63249 10.2557 5.90804 6.36941 7.45579 6.27581 9.97357 13.6195 9.99038 7.28249 numMergedOcc 0
60 mol 236 unq 3 iso 0 dist 7.74348 6.49831 5.90804 16.3801 13.6195 9.99038 12.2331 7.45579 6.27581 7.28249 numMergedOcc 0
61 mol 236 unq 3 iso 1 dist 7.74348 6.49831 5.90804 12.2331 7.45579 6.27581 16.3801 13.6195 9.99038 7.28249 numMergedOcc 0
62 mol 258 unq 0 iso 0 dist 8.10903 9.78068 9.04358 14.0712 8.81588 6.60405 8.81059 5.90131 6.42289 7.26417 numMergedOcc 0
63 mol 258 unq 0 iso 1 dist 8.10903 9.78068 9.04358 8.81059 5.90131 6.42289 14.0712 8.81588 6.60405 7.26417 numMergedOcc 0
64 mol 261 unq 0 iso 0 dist 8.88741 6.5875 7.30472 7.15785 6.43209 8.02547 13.1629 11.6843 8.43057 10.0727 numMergedOcc 0
65 mol 261 unq 0 iso 1 dist 8.88741 6.5875 7.30472 13.1629 11.6843 8.43057 7.15785 6.43209 8.02547 10.0727 numMergedOcc 0
66 mol 261 unq 1 iso 0 dist 8.88741 6.5875 7.30472 7.15785 6.43209 8.02547 9.43169 7.78464 6.05727 5.51688 numMergedOcc 0
67 mol 261 unq 1 iso 1 dist 8.88741 6.5875 7.30472 9.43169 7.78464 6.05727 7.15785 6.43209 8.02547 5.51688 numMergedOcc 0
68 mol 261 unq 1 iso 0 dist 8.88741 6.5875 7.30472 13.1629 11.6843 8.43057 9.43169 7.78464 6.05727 4.63549 numMergedOcc 0
69 mol 261 unq 1 iso 1 dist 8.88741 6.5875 7.30472 9.43169 7.78464 6.05727 13.1629 11.6843 8.43057 4.63549 numMergedOcc 0
