0 mol 7 unq 0 iso 0 dist 8.8576 5.83293 6.8464 10.4545 8.41585 5.0893 12.5865 7.15287 7.38748 6.22892 numMergedOcc 0
1 mol 14 unq 0 iso 0 dist 7.0208 5.1956 5.36937 10.5465 9.58196 6.03847 12.8297 7.95811 8.10957 6.30573 numMergedOcc 0
2 mol 14 unq 1 iso 0 dist 7.28563 6.38279 5.36937 12.3645 9.58196 6.03847 13.4561 7.95811 8.10957 6.30573 numMergedOcc 0
3 mol 14 unq 2 iso 0 dist 8.51112 10.7867 7.73217 12.3645 9.04767 4.75873 13.4561 6.24146 7.59564 6.30573 numMergedOcc 0
4 mol 14 unq 3 iso 0 dist 8.51112 6.38279 5.99703 12.3645 9.04767 6.03847 13.4561 6.24146 8.10957 6.30573 numMergedOcc 0
5 mol 24 unq 0 iso 0 dist 8.13365 8.35576 8.0319 10.5449 6.86014 11.4109 8.10063 6.88453 5.85737 13.0211 numMergedOcc 0
6 mol 43 unq 0 iso 0 dist 8.47617 11.3388 8.03754 15.1595 8.80331 14.0204 14.3847 14.9082 8.84944 22.5146 numMergedOcc 0
7 mol 43 unq 1 iso 0 dist 8.47617 11.3388 8.03754 15.1595 8.80331 14.0204 10.2091 4.80528 7.21995 12.8866 numMergedOcc 0
8 mol 43 unq 2 iso 0 dist 8.47617 11.3388 8.03754 8.14351 6.20293 13.1056 14.3847 14.9082 8.84944 19.6842 numMergedOcc 0
9 mol 43 unq 3 iso 0 dist 8.47617 11.3388 8.03754 8.14351 6.20293 13.1056 10.2091 4.80528 7.21995 10.6604 numMergedOcc 0
10 mol 43 unq 4 iso 0 dist 5.73331 4.09692 9.47348 8.14351 8.93915 9.92508 5.5483 6.9067 7.32913 13.3384 numMergedOcc 0
11 mol 75 unq 0 iso 0 dist 8.64872 9.2905 9.20448 10.4239 7.79912 14.2474 12.1267 5.56574 8.25597 13.0751 numMergedOcc 0
12 mol 75 unq 1 iso 0 dist 8.64872 9.2905 9.20448 12.0967 8.56639 12.103 12.1267 5.56574 8.25597 12.1692 numMergedOcc 0
13 mol 75 unq 2 iso 0 dist 8.64872 9.2905 9.20448 9.60759 8.59017 5.76778 12.1267 5.56574 8.25597 10.0315 numMergedOcc 0
14 mol 75 unq 3 iso 0 dist 8.64872 9.39059 6.96759 10.4239 7.79912 13.8905 12.1267 5.56574 4.76466 13.0751 numMergedOcc 0
15 mol 75 unq 4 iso 0 dist 8.64872 9.39059 6.96759 12.0967 8.56639 12.899 12.1267 5.56574 4.76466 12.1692 numMergedOcc 0
16 mol 75 unq 5 iso 0 dist 8.64872 9.39059 6.96759 9.60759 8.59017 8.41332 12.1267 5.56574 4.76466 10.0315 numMergedOcc 0
17 mol 75 unq 6 iso 0 dist 8.64872 4.6252 6.97318 10.4239 7.79912 11.2774 12.1267 5.56574 8.67172 13.0751 numMergedOcc 0
18 mol 75 unq 7 iso 0 dist 8.64872 4.6252 6.97318 12.0967 8.56639 11.0206 12.1267 5.56574 8.67172 12.1692 numMergedOcc 0
19 mol 75 unq 8 iso 0 dist 8.64872 4.6252 6.97318 9.60759 8.59017 6.56982 12.1267 5.56574 8.67172 10.0315 numMergedOcc 0
20 mol 115 unq 0 iso 0 dist 5.11612 5.73904 7.9258 10.3475 9.33865 10.9791 10.879 9.48465 9.33293 16.9836 numMergedOcc 0
21 mol 115 unq 1 iso 0 dist 5.11612 5.73904 7.9258 6.86762 5.83991 4.75197 10.879 9.48465 9.33293 9.71126 numMergedOcc 0
22 mol 129 unq 0 iso 0 dist 6.47346 11.0685 8.59695 6.90896 5.83384 6.13737 11.2025 5.99695 9.52061 10.482 numMergedOcc 0
23 mol 129 unq 1 iso 0 dist 6.47346 3.86284 6.42706 6.90896 5.83384 5.12351 10.8239 6.29782 9.61101 10.514 numMergedOcc 0
24 mol 133 unq 0 iso 0 dist 8.94909 6.14253 9.47554 8.76089 7.11802 5.34829 13.8059 17.2988 8.8353 10.614 numMergedOcc 0
25 mol 133 unq 1 iso 0 dist 8.94909 6.14253 9.47554 6.80087 8.00618 9.67676 13.8059 17.2988 8.8353 15.7117 numMergedOcc 0
26 mol 152 unq 0 iso 0 dist 9.0847 13.0972 8.41774 14.8573 8.56324 13.1435 14.4446 14.069 9.65031 21.5408 numMergedOcc 0
27 mol 152 unq 1 iso 0 dist 9.0847 13.0972 8.41774 14.8573 8.56324 13.1435 10.1793 4.46956 8.51844 12.7437 numMergedOcc 0
28 mol 152 unq 2 iso 0 dist 9.0847 13.0972 8.41774 8.41711 6.70283 13.793 14.4446 14.069 9.65031 19.3797 numMergedOcc 0
29 mol 152 unq 3 iso 0 dist 9.0847 13.0972 8.41774 8.41711 6.70283 13.793 10.1793 4.46956 8.51844 10.5594 numMergedOcc 0
30 mol 152 unq 4 iso 0 dist 9.0847 13.0972 8.41774 4.82496 7.16148 11.2124 14.4446 14.069 9.65031 15.7694 numMergedOcc 0
31 mol 152 unq 5 iso 0 dist 9.0847 13.0972 8.41774 4.82496 7.16148 11.2124 10.1793 4.46956 8.51844 10.166 numMergedOcc 0
32 mol 204 unq 0 iso 0 dist 6.20646 12.7269 9.44947 5.21426 7.10633 10.5243 20.3843 18.5654 9.52029 16.9329 numMergedOcc 0
33 mol 204 unq 1 iso 0 dist 6.20646 12.7269 9.44947 8.35604 8.51516 10.2677 20.3843 18.5654 9.52029 17.8571 numMergedOcc 0
34 mol 204 unq 2 iso 0 dist 6.73266 7.03981 9.44947 5.57112 7.10633 10.5243 13.969 18.5654 9.52029 16.9329 numMergedOcc 0
35 mol 204 unq 3 iso 0 dist 6.73266 7.03981 9.44947 12.1292 8.51516 10.2677 13.969 18.5654 9.52029 17.8571 numMergedOcc 0
36 mol 224 unq 0 iso 0 dist 9.61379 8.96279 7.49783 9.57016 8.95269 12.8561 13.0995 6.87755 6.23677 12.2287 numMergedOcc 0
37 mol 224 unq 1 iso 0 dist 9.61379 8.96279 7.49783 9.57016 8.95269 12.8561 17.005 12.3271 9.04741 16.6527 numMergedOcc 0
38 mol 224 unq 2 iso 0 dist 9.61379 8.96279 7.49783 9.57016 8.95269 12.8561 13.0235 11.0252 7.31608 12.7763 numMergedOcc 0
39 mol 224 unq 3 iso 0 dist 8.47457 5.39078 8.80858 5.15333 6.65832 4.46743 9.99396 16.607 8.8113 10.2166 numMergedOcc 0
40 mol 224 unq 4 iso 0 dist 8.47457 5.39078 8.80858 8.1404 6.60589 4.93626 9.99396 16.607 8.8113 13.6975 numMergedOcc 0
41 mol 224 unq 5 iso 0 dist 8.47457 5.39078 8.80858 15.1783 9.16166 11.8641 9.99396 16.607 8.8113 19.4037 numMergedOcc 0
42 mol 236 unq 0 iso 0 dist 5.99137 7.15062 7.87233 13.7629 9.81562 15.6279 9.80618 7.77821 4.71683 12.96 numMergedOcc 0
43 mol 236 unq 1 iso 0 dist 5.99137 7.15062 7.87233 13.3575 7.68742 13.7246 9.80618 7.77821 4.71683 10.8312 numMergedOcc 0
44 mol 236 unq 2 iso 0 dist 5.99137 7.15062 7.87233 5.03598 6.27581 10.5269 9.80618 7.77821 4.71683 11.2195 numMergedOcc 0
45 mol 277 unq 0 iso 0 dist 9.64889 10.6345 4.81916 15.4648 9.7748 7.94155 12.5202 7.44724 6.66936 14.2462 numMergedOcc 0
46 mol 277 unq 1 iso 0 dist 9.64889 10.6345 4.81916 15.4648 9.7748 7.94155 14.8656 5.77904 8.15119 8.35794 numMergedOcc 0
47 mol 280 unq 0 iso 0 dist 9.0021 7.41099 5.41639 12.6862 6.53701 8.26589 10.0528 6.07005 4.45141 10.6192 numMergedOcc 0
