0 mol 15 unq 0 iso 0 dist 8.38064 7.07399 4.29582 4.39605 7.48342 6.03257 5.49251 9.84471 6.23015 5.20798 10.6338 11.7498 10.1154 6.42748 8.85174 numMergedOcc 0
1 mol 24 unq 0 iso 0 dist 6.86014 9.01567 8.67951 6.66749 9.41441 4.2121 8.91183 12.5088 6.19899 4.08755 11.0194 11.4989 4.50066 6.73939 5.68215 numMergedOcc 0
2 mol 24 unq 1 iso 0 dist 6.86014 7.29868 8.52463 6.66749 9.41441 6.72323 8.91183 12.5088 6.61696 4.08755 11.0194 11.4989 5.11617 6.73939 5.68215 numMergedOcc 0
3 mol 24 unq 2 iso 0 dist 8.86116 8.60554 8.52463 14.012 9.41441 6.72323 14.8647 12.5088 6.61696 4.08755 13.2433 11.4989 5.11617 6.73939 5.68215 numMergedOcc 0
4 mol 24 unq 3 iso 0 dist 8.86116 9.44691 13.4893 14.012 9.41441 15.7523 14.4081 17.9275 9.586 14.7634 15.5296 19.2131 6.7828 18.673 7.27472 numMergedOcc 0
5 mol 24 unq 4 iso 0 dist 5.54419 8.4051 5.11617 5.59311 8.70827 12.8389 13.6174 10.9113 5.80953 18.3168 15.5324 11.4989 8.52463 18.2647 7.95042 numMergedOcc 0
6 mol 24 unq 5 iso 0 dist 5.54419 8.4051 5.11617 12.176 6.73939 6.72323 13.6174 10.9113 5.80953 10.0453 15.5324 11.4989 8.52463 9.41441 7.95042 numMergedOcc 0
7 mol 24 unq 6 iso 0 dist 5.54419 8.23446 13.1779 5.59311 8.70827 11.4596 6.28159 10.4135 4.5711 9.86385 7.36323 12.3067 6.38336 9.12854 8.87744 numMergedOcc 0
8 mol 24 unq 7 iso 0 dist 5.54419 8.23446 13.1779 5.59311 8.70827 11.4596 5.50396 9.33482 4.44526 10.4353 7.36323 12.3067 6.38336 9.12854 7.27472 numMergedOcc 0
9 mol 24 unq 8 iso 0 dist 5.54419 8.23446 13.1779 12.176 6.73939 19.0465 6.28159 10.4135 4.5711 15.9573 7.36323 12.3067 6.38336 18.673 8.87744 numMergedOcc 0
10 mol 24 unq 9 iso 0 dist 5.54419 8.23446 13.1779 12.176 6.73939 19.0465 5.50396 9.33482 4.44526 14.7634 7.36323 12.3067 6.38336 18.673 7.27472 numMergedOcc 0
11 mol 24 unq 10 iso 0 dist 5.54419 8.75662 10.8238 5.59311 8.70827 11.6684 5.50396 9.33482 9.586 10.4353 7.36323 12.3067 6.7828 9.12854 7.27472 numMergedOcc 0
12 mol 24 unq 11 iso 0 dist 5.54419 8.75662 10.8238 12.176 6.73939 15.7523 5.50396 9.33482 9.586 14.7634 7.36323 12.3067 6.7828 18.673 7.27472 numMergedOcc 0
13 mol 24 unq 12 iso 0 dist 7.36323 8.4051 13.2229 5.59311 9.12854 12.8389 10.1698 17.003 6.61696 13.7009 5.54419 12.3067 5.11617 8.70827 5.68215 numMergedOcc 0
14 mol 24 unq 13 iso 0 dist 7.36323 8.4051 13.2229 5.59311 9.12854 12.8389 13.6174 16.707 5.80953 18.3168 15.5324 19.2131 8.52463 18.2647 7.95042 numMergedOcc 0
15 mol 25 unq 0 iso 0 dist 5.04899 8.87757 5.77929 7.33728 7.45383 6.25843 13.6145 9.49421 6.53269 9.62058 11.9561 10.9391 6.08585 6.16347 9.48085 numMergedOcc 0
16 mol 25 unq 1 iso 0 dist 5.04899 8.87757 5.77929 13.9331 9.01548 8.88938 13.6145 9.49421 6.53269 5.38592 11.9561 10.9391 6.08585 13.8469 9.48085 numMergedOcc 0
17 mol 25 unq 2 iso 0 dist 7.57578 6.16347 9.34396 6.08585 8.50222 6.25843 5.63212 10.9703 5.20109 3.904 11.9561 15.5644 7.33728 8.87757 7.05196 numMergedOcc 0
18 mol 25 unq 3 iso 0 dist 7.57578 8.50222 6.08585 9.34396 6.16347 6.25843 13.2447 11.037 9.16515 4.98822 12.7009 10.9391 5.77929 7.45383 6.55597 numMergedOcc 0
19 mol 25 unq 4 iso 0 dist 7.57578 8.50222 6.08585 9.34396 6.16347 6.25843 11.8139 13.0315 9.82987 7.91914 12.7009 10.9391 5.77929 7.45383 7.07751 numMergedOcc 0
20 mol 25 unq 5 iso 0 dist 7.57578 8.50222 6.08585 9.34396 6.16347 6.25843 5.18617 9.48085 6.53269 9.62058 12.7009 10.9391 5.77929 7.45383 9.49421 numMergedOcc 0
21 mol 25 unq 6 iso 0 dist 7.57578 8.50222 6.08585 6.11127 7.92503 11.4912 13.2447 11.037 9.16515 17.5013 12.7009 10.9391 5.77929 16.8925 6.55597 numMergedOcc 0
22 mol 25 unq 7 iso 0 dist 7.57578 8.50222 6.08585 6.11127 7.92503 11.4912 11.8139 13.0315 9.82987 17.4121 12.7009 10.9391 5.77929 16.8925 7.07751 numMergedOcc 0
23 mol 25 unq 8 iso 0 dist 7.57578 8.50222 6.08585 6.11127 7.92503 11.4912 5.18617 9.48085 6.53269 10.2758 12.7009 10.9391 5.77929 16.8925 9.49421 numMergedOcc 0
24 mol 25 unq 9 iso 0 dist 7.17969 6.16347 10.8498 6.08585 7.55264 6.25843 5.63212 10.3338 5.20109 3.904 11.9561 16.1048 7.33728 8.87757 7.05196 numMergedOcc 0
25 mol 25 unq 10 iso 0 dist 7.17969 7.55264 6.08585 10.8498 6.16347 6.25843 14.9982 11.037 9.16515 4.98822 12.8117 10.9391 5.77929 7.45383 6.55597 numMergedOcc 0
26 mol 25 unq 11 iso 0 dist 7.17969 7.55264 6.08585 10.8498 6.16347 6.25843 14.1251 13.0315 9.82987 7.91914 12.8117 10.9391 5.77929 7.45383 7.07751 numMergedOcc 0
27 mol 25 unq 12 iso 0 dist 7.17969 7.55264 6.08585 10.8498 6.16347 6.25843 5.68041 9.48085 6.53269 9.62058 12.8117 10.9391 5.77929 7.45383 9.49421 numMergedOcc 0
28 mol 25 unq 13 iso 0 dist 7.17969 7.55264 6.08585 5.30154 7.92503 11.4912 14.9982 11.037 9.16515 17.5013 12.8117 10.9391 5.77929 16.8925 6.55597 numMergedOcc 0
29 mol 25 unq 14 iso 0 dist 7.17969 7.55264 6.08585 5.30154 7.92503 11.4912 14.1251 13.0315 9.82987 17.4121 12.8117 10.9391 5.77929 16.8925 7.07751 numMergedOcc 0
30 mol 25 unq 15 iso 0 dist 7.17969 7.55264 6.08585 5.30154 7.92503 11.4912 5.68041 9.48085 6.53269 10.2758 12.8117 10.9391 5.77929 16.8925 9.49421 numMergedOcc 0
31 mol 58 unq 0 iso 0 dist 6.86465 8.80614 10.2049 5.78774 9.92355 10.2007 9.87158 13.3281 9.01564 5.66912 6.62496 5.30792 9.95364 5.93884 9.22598 numMergedOcc 0
32 mol 58 unq 1 iso 0 dist 6.86465 8.80614 10.2049 5.78774 9.92355 10.2007 9.87158 13.3281 9.01564 5.66912 6.35756 5.35073 5.49591 7.68678 8.96727 numMergedOcc 0
33 mol 58 unq 2 iso 0 dist 6.86465 8.80614 10.2049 5.78774 9.92355 10.2007 5.86526 11.5155 7.11065 5.76523 6.35756 5.35073 5.49591 7.68678 8.01308 numMergedOcc 0
34 mol 58 unq 3 iso 0 dist 6.62496 8.80614 9.95364 5.78774 5.93884 10.2007 9.87158 9.22598 9.01564 5.66912 6.35756 4.81926 5.49591 7.68678 8.96727 numMergedOcc 0
35 mol 58 unq 4 iso 0 dist 6.62496 8.80614 9.95364 5.78774 5.93884 10.2007 5.86526 9.55996 7.11065 5.76523 6.35756 4.81926 5.49591 7.68678 8.01308 numMergedOcc 0
36 mol 58 unq 5 iso 0 dist 6.35756 8.80614 5.49591 5.78774 7.68678 10.2007 9.87158 8.96727 9.01564 5.66912 6.62496 4.81926 9.95364 5.93884 9.22598 numMergedOcc 0
37 mol 98 unq 0 iso 0 dist 5.08437 6.65501 4.4057 7.06961 6.7117 6.88901 10.4782 9.81956 8.46823 3.92737 17.4071 18.6405 16.4267 12.5931 9.64383 numMergedOcc 0
38 mol 98 unq 1 iso 0 dist 5.08437 6.65501 4.4057 7.06961 6.7117 6.88901 10.4782 9.81956 8.46823 3.92737 6.10456 8.40073 9.67482 4.47349 7.54889 numMergedOcc 0
39 mol 98 unq 2 iso 0 dist 5.08437 6.65501 4.4057 7.06961 6.7117 6.88901 10.4782 9.81956 8.46823 3.92737 10.1136 10.2427 12.0974 5.65185 7.78931 numMergedOcc 0
40 mol 98 unq 3 iso 0 dist 5.08437 6.65501 4.4057 7.06961 6.7117 6.88901 3.9764 5.10496 4.62494 3.94967 6.48948 9.51923 7.42446 9.42961 5.92242 numMergedOcc 0
41 mol 98 unq 4 iso 0 dist 5.08437 6.65501 4.4057 7.06961 6.7117 6.88901 3.9764 5.10496 4.62494 3.94967 6.10456 8.40073 9.67482 4.47349 5.2571 numMergedOcc 0
42 mol 98 unq 5 iso 0 dist 5.08437 6.65501 4.4057 7.06961 6.7117 6.88901 3.9764 5.10496 4.62494 3.94967 10.1136 10.2427 12.0974 5.65185 8.7497 numMergedOcc 0
43 mol 98 unq 6 iso 0 dist 6.10456 6.65501 9.67482 7.06961 4.47349 6.88901 10.4782 7.54889 8.46823 3.92737 17.4071 13.659 16.4267 12.5931 9.64383 numMergedOcc 0
44 mol 98 unq 7 iso 0 dist 6.10456 6.65501 9.67482 7.06961 4.47349 6.88901 10.4782 7.54889 8.46823 3.92737 10.1136 5.02887 12.0974 5.65185 7.78931 numMergedOcc 0
45 mol 98 unq 8 iso 0 dist 6.10456 6.65501 9.67482 7.06961 4.47349 6.88901 3.9764 5.2571 4.62494 3.94967 5.08437 8.40073 4.4057 6.7117 5.10496 numMergedOcc 0
46 mol 98 unq 9 iso 0 dist 6.10456 6.65501 9.67482 7.06961 4.47349 6.88901 3.9764 5.2571 4.62494 3.94967 6.48948 9.42358 7.42446 9.42961 5.92242 numMergedOcc 0
47 mol 98 unq 10 iso 0 dist 6.10456 6.65501 9.67482 7.06961 4.47349 6.88901 3.9764 5.2571 4.62494 3.94967 10.1136 5.02887 12.0974 5.65185 8.7497 numMergedOcc 0
48 mol 100 unq 0 iso 0 dist 7.17106 7.01812 8.4128 10.6848 7.10378 9.5057 4.03277 10.5432 6.59691 12.48 9.60661 11.5403 5.80144 14.8081 8.91882 numMergedOcc 0
49 mol 100 unq 1 iso 0 dist 7.17106 7.01812 8.4128 10.6848 7.10378 9.5057 4.03277 10.5432 6.59691 12.48 10.1489 10.8586 5.42531 7.80975 9.21662 numMergedOcc 0
50 mol 100 unq 2 iso 0 dist 7.47343 8.30845 12.2861 11.2312 7.38135 17.21 6.23008 9.76432 6.59691 12.0033 6.65086 8.8807 5.80144 15.4031 8.91882 numMergedOcc 0
51 mol 100 unq 3 iso 0 dist 7.47343 8.30845 12.2861 11.2312 7.38135 17.21 6.23008 9.76432 6.59691 12.0033 13.2001 16.3949 5.42531 20.5141 9.21662 numMergedOcc 0
52 mol 119 unq 0 iso 0 dist 6.18601 8.00003 10.4376 5.13589 6.73586 13.0074 9.85023 13.6983 6.18678 14.1584 13.4378 16.1743 6.36778 18.5519 9.77575 numMergedOcc 0
53 mol 119 unq 1 iso 0 dist 6.18601 6.73586 5.13589 10.4376 8.00003 13.0074 4.39676 8.95212 8.67537 12.3661 10.1813 10.9871 10.8661 13.7362 6.99446 numMergedOcc 0
54 mol 119 unq 2 iso 0 dist 6.18601 6.73586 5.13589 10.4376 8.00003 13.0074 4.39676 8.95212 8.67537 12.3661 9.72413 9.93257 12.0175 9.77873 7.64052 numMergedOcc 0
55 mol 129 unq 0 iso 0 dist 5.83384 7.58957 10.5488 10.7293 9.36851 16.1714 6.28232 11.7541 6.34626 16.1557 10.1333 14.6152 4.92472 18.8692 5.51197 numMergedOcc 0
56 mol 129 unq 1 iso 0 dist 5.83384 7.58957 10.5488 7.29399 4.97175 13.8117 6.28232 11.7541 6.34626 13.4653 10.1333 14.6152 4.92472 17.0065 5.51197 numMergedOcc 0
57 mol 134 unq 0 iso 0 dist 9.89303 7.69991 4.60632 7.41674 5.83771 6.40575 12.847 13.0242 9.0176 15.0575 13.8307 9.51251 7.1797 10.8985 9.66543 numMergedOcc 0
58 mol 134 unq 1 iso 0 dist 9.89303 7.69991 4.60632 7.41674 5.83771 6.40575 12.847 13.0242 9.0176 15.0575 11.9139 6.86927 4.57832 10.5252 7.21868 numMergedOcc 0
59 mol 134 unq 2 iso 0 dist 9.89303 7.69991 4.60632 7.41674 5.83771 6.40575 12.847 13.0242 9.0176 15.0575 9.5126 7.11631 5.29786 10.7586 7.93372 numMergedOcc 0
60 mol 134 unq 3 iso 0 dist 6.54501 7.69991 5.71679 7.41674 7.80532 6.40575 12.847 11.988 9.0176 15.0575 13.8307 12.8168 7.1797 10.8985 9.66543 numMergedOcc 0
61 mol 134 unq 4 iso 0 dist 6.54501 7.69991 5.71679 7.41674 7.80532 6.40575 12.847 11.988 9.0176 15.0575 11.9139 8.80819 4.57832 10.5252 7.21868 numMergedOcc 0
62 mol 134 unq 5 iso 0 dist 6.54501 7.69991 5.71679 7.41674 7.80532 6.40575 12.847 11.988 9.0176 15.0575 9.5126 5.00817 5.29786 10.7586 7.93372 numMergedOcc 0
63 mol 134 unq 6 iso 0 dist 6.49416 6.23142 5.71679 9.87376 7.80532 6.40575 8.06642 11.988 9.0176 15.0575 11.7385 12.8168 7.1797 10.8985 9.66543 numMergedOcc 0
64 mol 134 unq 7 iso 0 dist 6.49416 6.23142 5.71679 9.87376 7.80532 6.40575 8.06642 11.988 9.0176 15.0575 8.94367 8.80819 4.57832 10.5252 7.21868 numMergedOcc 0
65 mol 134 unq 8 iso 0 dist 6.49416 6.23142 5.71679 9.87376 7.80532 6.40575 8.06642 11.988 9.0176 15.0575 6.37586 5.00817 5.29786 10.7586 7.93372 numMergedOcc 0
66 mol 181 unq 0 iso 0 dist 8.03334 6.46704 4.43096 7.81713 6.2479 7.32087 6.50233 9.76212 7.35884 6.39406 10.9639 6.01247 6.06566 6.22122 8.59874 numMergedOcc 0
67 mol 181 unq 1 iso 0 dist 7.81386 9.39829 7.20191 7.77758 5.94469 11.8933 5.71898 9.01624 5.99437 11.9796 9.81747 11.5866 5.48529 14.8638 5.05973 numMergedOcc 0
68 mol 181 unq 2 iso 0 dist 7.63312 6.41453 7.20191 12.5387 5.94469 11.8933 5.93724 9.01624 5.99437 11.9796 9.11469 11.5866 5.48529 14.8638 5.05973 numMergedOcc 0
69 mol 274 unq 0 iso 0 dist 7.56915 8.52587 5.29529 6.20558 9.85289 6.88827 16.9539 12.8334 8.60027 13.3632 13.9359 9.15171 6.70925 12.2077 6.4611 numMergedOcc 0
