0 mol 7 unq 0 iso 0 dist 8.88982 13.9585 7.10621 14.92 8.72114 13.8829 numMergedOcc 0
1 mol 7 unq 1 iso 0 dist 8.8576 10.4545 8.41585 8.401 5.99972 12.0193 numMergedOcc 0
2 mol 9 unq 0 iso 0 dist 7.25179 13.7 8.57077 8.90391 9.62394 9.5997 numMergedOcc 0
3 mol 9 unq 1 iso 0 dist 8.72522 16.5569 8.57077 12.2488 9.62394 9.5997 numMergedOcc 0
4 mol 16 unq 0 iso 0 dist 6.60918 5.05215 4.86568 5.9861 6.62144 5.39089 numMergedOcc 0
5 mol 24 unq 0 iso 0 dist 8.13365 10.5449 6.86014 7.1011 7.33768 4.32034 numMergedOcc 0
6 mol 24 unq 1 iso 0 dist 8.13365 10.5449 6.86014 10.8208 9.01567 8.67951 numMergedOcc 0
7 mol 24 unq 2 iso 0 dist 8.13365 10.5449 6.86014 13.3998 7.29868 8.52463 numMergedOcc 0
8 mol 24 unq 3 iso 0 dist 6.80849 13.9888 8.86116 14.1707 8.60554 8.52463 numMergedOcc 0
9 mol 24 unq 4 iso 0 dist 6.80849 13.9888 8.86116 6.3045 8.44664 10.971 numMergedOcc 0
10 mol 24 unq 5 iso 0 dist 6.80849 13.9888 8.86116 9.47767 9.44691 13.4893 numMergedOcc 0
11 mol 24 unq 6 iso 0 dist 6.80849 10.1696 8.38394 14.1707 8.60554 12.3994 numMergedOcc 0
12 mol 24 unq 7 iso 0 dist 6.80849 10.1696 8.38394 6.3045 8.44664 5.30734 numMergedOcc 0
13 mol 24 unq 8 iso 0 dist 6.80849 10.1696 8.38394 9.47767 9.44691 12.505 numMergedOcc 0
14 mol 25 unq 0 iso 0 dist 6.00307 7.95074 7.57578 6.03478 6.16347 9.34396 numMergedOcc 0
15 mol 25 unq 1 iso 0 dist 6.00307 7.95074 7.57578 9.60684 7.92503 6.11127 numMergedOcc 0
16 mol 25 unq 2 iso 0 dist 6.00307 10.3928 7.17969 6.03478 6.16347 10.8498 numMergedOcc 0
17 mol 25 unq 3 iso 0 dist 6.00307 10.3928 7.17969 9.60684 7.92503 5.30154 numMergedOcc 0
18 mol 41 unq 0 iso 0 dist 9.02927 14.1634 6.19529 11.098 8.51663 8.94326 numMergedOcc 0
19 mol 43 unq 0 iso 0 dist 8.47617 15.1595 8.80331 12.8271 8.95682 6.18002 numMergedOcc 0
20 mol 43 unq 1 iso 0 dist 8.47617 8.14351 6.20293 12.8271 8.95682 8.38399 numMergedOcc 0
21 mol 54 unq 0 iso 0 dist 6.13476 13.1047 9.5589 9.53962 7.21717 15.293 numMergedOcc 0
22 mol 54 unq 1 iso 0 dist 6.13476 10.0565 6.83299 9.53962 7.21717 13.86 numMergedOcc 0
23 mol 54 unq 2 iso 0 dist 6.13476 5.77448 8.10861 9.53962 7.21717 5.99981 numMergedOcc 0
24 mol 85 unq 0 iso 0 dist 7.59073 4.53858 5.73196 5.83497 9.39864 4.65335 numMergedOcc 0
25 mol 95 unq 0 iso 0 dist 8.13273 6.56354 9.03572 15.7943 9.49454 13.3662 numMergedOcc 0
26 mol 95 unq 1 iso 0 dist 8.13273 6.68919 8.83255 15.7943 9.49454 12.0666 numMergedOcc 0
27 mol 95 unq 2 iso 0 dist 8.13273 14.1434 8.03644 15.7943 9.49454 11.4333 numMergedOcc 0
28 mol 98 unq 0 iso 0 dist 4.31067 9.04817 5.08437 9.0917 6.65501 4.4057 numMergedOcc 0
29 mol 98 unq 1 iso 0 dist 4.31067 4.70157 6.48948 9.0917 6.65501 7.42446 numMergedOcc 0
30 mol 98 unq 2 iso 0 dist 4.31067 6.21302 6.10456 9.0917 6.65501 9.67482 numMergedOcc 0
31 mol 113 unq 0 iso 0 dist 8.29529 7.77295 5.86073 5.89952 8.8822 10.1816 numMergedOcc 0
32 mol 113 unq 1 iso 0 dist 8.29529 7.77295 5.86073 5.58964 9.66219 8.42718 numMergedOcc 0
33 mol 122 unq 0 iso 0 dist 8.054 9.57532 8.37808 5.97096 8.88537 5.0355 numMergedOcc 0
34 mol 122 unq 1 iso 0 dist 8.054 9.57532 8.37808 4.4646 9.23819 7.39059 numMergedOcc 0
35 mol 129 unq 0 iso 0 dist 6.47346 6.90896 5.83384 10.8332 9.36851 10.7293 numMergedOcc 0
36 mol 129 unq 1 iso 0 dist 6.47346 6.90896 5.83384 5.75407 4.97175 7.29399 numMergedOcc 0
37 mol 130 unq 0 iso 0 dist 7.94863 7.58865 9.28393 8.93581 7.96646 6.73735 numMergedOcc 0
38 mol 133 unq 0 iso 0 dist 6.53153 5.78974 9.91388 5.42142 9.97654 4.34568 numMergedOcc 0
39 mol 133 unq 1 iso 0 dist 6.29975 4.90674 6.5107 5.42142 6.66772 7.12976 numMergedOcc 0
40 mol 133 unq 2 iso 0 dist 6.29975 5.78974 9.52634 5.42142 6.66772 4.34568 numMergedOcc 0
41 mol 133 unq 3 iso 0 dist 8.29673 5.78974 7.24514 5.42142 7.71248 4.34568 numMergedOcc 0
42 mol 133 unq 4 iso 0 dist 8.29673 9.35671 8.22656 5.42142 7.71248 10.6025 numMergedOcc 0
43 mol 181 unq 0 iso 0 dist 9.50454 11.755 7.63312 6.15536 5.9176 5.63555 numMergedOcc 0
44 mol 181 unq 1 iso 0 dist 9.50454 11.755 7.63312 14.7795 6.41453 7.20191 numMergedOcc 0
45 mol 181 unq 2 iso 0 dist 7.15963 14.1493 9.1374 10.5886 8.90963 8.91338 numMergedOcc 0
46 mol 181 unq 3 iso 0 dist 7.15963 6.73556 5.98885 10.5886 8.90963 9.81073 numMergedOcc 0
47 mol 181 unq 4 iso 0 dist 7.15963 5.49666 9.15386 10.5886 8.90963 9.34211 numMergedOcc 0
48 mol 181 unq 5 iso 0 dist 6.43406 10.9813 7.81386 11.4522 9.39829 7.20191 numMergedOcc 0
49 mol 181 unq 6 iso 0 dist 8.80581 10.209 7.63312 10.5065 5.9176 5.63555 numMergedOcc 0
50 mol 181 unq 7 iso 0 dist 8.80581 10.209 7.63312 6.04759 6.41453 7.20191 numMergedOcc 0
51 mol 197 unq 0 iso 0 dist 9.14737 9.23779 8.56633 14.372 7.50013 8.46623 numMergedOcc 0
52 mol 197 unq 1 iso 0 dist 9.14737 9.23779 8.56633 14.6749 5.81233 10.7305 numMergedOcc 0
53 mol 197 unq 2 iso 0 dist 9.14737 9.23779 8.56633 5.9589 6.92924 5.41996 numMergedOcc 0
54 mol 197 unq 3 iso 0 dist 9.14737 9.23779 8.56633 9.27427 7.14306 6.64537 numMergedOcc 0
55 mol 204 unq 0 iso 0 dist 6.20646 5.21426 7.10633 11.1093 9.68728 7.67571 numMergedOcc 0
56 mol 204 unq 1 iso 0 dist 6.20646 8.35604 8.51516 11.1093 9.68728 10.8573 numMergedOcc 0
57 mol 204 unq 2 iso 0 dist 6.73266 5.57112 7.10633 5.39256 9.68728 7.67571 numMergedOcc 0
58 mol 204 unq 3 iso 0 dist 6.73266 12.1292 8.51516 5.39256 9.68728 10.8573 numMergedOcc 0
59 mol 205 unq 0 iso 0 dist 6.04106 12.9245 7.26832 4.45301 5.44002 10.3603 numMergedOcc 0
60 mol 206 unq 0 iso 0 dist 7.94694 5.1071 7.7366 8.91883 6.16414 6.45859 numMergedOcc 0
61 mol 206 unq 1 iso 0 dist 7.94694 5.1071 7.7366 8.83227 7.33701 4.40897 numMergedOcc 0
62 mol 206 unq 2 iso 0 dist 7.94694 5.1071 7.7366 10.6714 8.0871 7.62219 numMergedOcc 0
63 mol 206 unq 3 iso 0 dist 7.51923 5.39127 8.02137 8.91883 7.75885 12.7604 numMergedOcc 0
64 mol 206 unq 4 iso 0 dist 7.51923 5.1071 9.774 8.91883 7.75885 6.45859 numMergedOcc 0
65 mol 234 unq 0 iso 0 dist 6.15754 11.8245 8.34494 14.7836 9.81425 4.3717 numMergedOcc 0
66 mol 234 unq 1 iso 0 dist 6.15754 12.4455 6.56247 14.7836 9.81425 4.46561 numMergedOcc 0
67 mol 234 unq 2 iso 0 dist 6.15754 14.0876 9.36357 14.7836 9.81425 10.641 numMergedOcc 0
68 mol 234 unq 3 iso 0 dist 6.6281 6.65785 8.34494 10.5885 9.81425 4.3717 numMergedOcc 0
69 mol 234 unq 4 iso 0 dist 6.6281 10.0624 6.56247 10.5885 9.81425 4.46561 numMergedOcc 0
70 mol 234 unq 5 iso 0 dist 6.6281 13.9869 9.36357 10.5885 9.81425 10.641 numMergedOcc 0
71 mol 235 unq 0 iso 0 dist 8.84872 4.28841 5.4638 9.6662 9.55668 7.60081 numMergedOcc 0
72 mol 243 unq 0 iso 0 dist 8.69557 9.51148 8.23192 6.86882 8.76935 6.60697 numMergedOcc 0
73 mol 243 unq 1 iso 0 dist 8.69557 9.51148 8.23192 10.1903 8.47652 4.26017 numMergedOcc 0
74 mol 243 unq 2 iso 0 dist 4.89168 6.50608 8.23192 5.73931 8.76935 6.60697 numMergedOcc 0
75 mol 243 unq 3 iso 0 dist 4.89168 6.50608 8.23192 4.41191 8.47652 4.26017 numMergedOcc 0
