0 mol 7 unq 0 iso 0 dist 8.41585 5.99972 12.0193 12.8323 9.87885 14.8356 5.13353 11.659 9.68006 17.0924 numMergedOcc 0
1 mol 7 unq 1 iso 0 dist 8.41585 9.68596 14.7759 6.88805 5.99459 10.3333 9.0379 16.7601 6.7985 13.6105 numMergedOcc 0
2 mol 7 unq 2 iso 0 dist 7.10621 8.72114 13.8829 7.12508 6.1206 11.2901 11.8172 18.3807 6.02702 15.7311 numMergedOcc 0
3 mol 7 unq 3 iso 0 dist 7.10621 8.72114 13.8829 11.143 7.67927 16.0449 11.8172 18.3807 6.02702 20.2743 numMergedOcc 0
4 mol 16 unq 0 iso 0 dist 4.7319 6.72833 6.51133 6.86055 7.65889 5.94982 10.4852 11.6856 6.93532 5.01101 numMergedOcc 0
5 mol 16 unq 1 iso 0 dist 5.05803 6.93532 5.30082 5.01101 6.42835 5.94982 10.4852 11.0958 6.72833 6.86055 numMergedOcc 0
6 mol 16 unq 2 iso 0 dist 5.05803 6.93532 5.30082 4.65873 6.57331 10.0132 10.4852 11.0958 6.72833 12.9201 numMergedOcc 0
7 mol 16 unq 3 iso 0 dist 6.31718 6.93532 10.4366 4.65873 8.43054 10.0132 10.4852 15.8605 6.72833 12.9201 numMergedOcc 0
8 mol 24 unq 0 iso 0 dist 6.86014 7.29868 8.52463 5.69214 7.95042 5.80953 15.5315 15.5324 8.4051 13.6174 numMergedOcc 0
9 mol 24 unq 1 iso 0 dist 6.86014 7.29868 8.52463 5.69214 7.95042 5.80953 10.0952 8.86116 8.60554 5.11636 numMergedOcc 0
10 mol 24 unq 2 iso 0 dist 8.86116 8.60554 8.52463 5.11636 7.95042 5.80953 14.6259 15.5324 8.4051 13.6174 numMergedOcc 0
11 mol 24 unq 3 iso 0 dist 8.86116 8.60554 8.52463 5.11636 7.95042 5.80953 10.0952 6.86014 7.29868 5.69214 numMergedOcc 0
12 mol 24 unq 4 iso 0 dist 8.86116 9.44691 13.4893 5.11636 7.95042 11.7489 14.6259 15.5324 8.75662 13.6174 numMergedOcc 0
13 mol 24 unq 5 iso 0 dist 8.86116 9.41441 14.012 11.6226 8.09311 19.932 11.4989 13.2433 6.73939 19.1966 numMergedOcc 0
14 mol 24 unq 6 iso 0 dist 8.86116 9.41441 14.012 13.1949 9.05357 17.7407 11.4989 13.2433 6.73939 13.7225 numMergedOcc 0
15 mol 24 unq 7 iso 0 dist 5.54419 8.4051 5.11617 4.82629 6.6219 11.3231 15.5315 11.0194 7.29868 17.5858 numMergedOcc 0
16 mol 24 unq 8 iso 0 dist 5.54419 8.4051 5.11617 4.82629 6.6219 11.3231 14.6259 13.2433 8.60554 18.6847 numMergedOcc 0
17 mol 24 unq 9 iso 0 dist 5.54419 8.4051 5.11617 10.1698 5.68215 6.61696 15.5315 11.0194 7.29868 8.91183 numMergedOcc 0
18 mol 24 unq 10 iso 0 dist 5.54419 8.4051 5.11617 10.1698 5.68215 6.61696 14.6259 13.2433 8.60554 14.8647 numMergedOcc 0
19 mol 24 unq 11 iso 0 dist 5.54419 8.75662 10.8238 4.82629 6.6219 13.0711 14.6259 13.2433 9.44691 18.6847 numMergedOcc 0
20 mol 24 unq 12 iso 0 dist 5.54419 8.75662 10.8238 10.1698 5.68215 15.3807 14.6259 13.2433 9.44691 14.8647 numMergedOcc 0
21 mol 24 unq 13 iso 0 dist 7.36323 8.4051 13.2229 6.28159 8.87744 12.3034 15.5315 20.3888 7.29868 18.9017 numMergedOcc 0
22 mol 24 unq 14 iso 0 dist 7.36323 8.4051 13.2229 6.28159 8.87744 12.3034 14.6259 15.5296 8.60554 17.9455 numMergedOcc 0
23 mol 24 unq 15 iso 0 dist 7.36323 8.4051 13.2229 5.50396 7.27472 9.84204 15.5315 20.3888 7.29868 16.5942 numMergedOcc 0
24 mol 24 unq 16 iso 0 dist 7.36323 8.4051 13.2229 5.50396 7.27472 9.84204 14.6259 15.5296 8.60554 14.4081 numMergedOcc 0
25 mol 24 unq 17 iso 0 dist 7.36323 8.75662 6.7828 6.28159 8.87744 12.6707 14.6259 15.5296 9.44691 17.9455 numMergedOcc 0
26 mol 24 unq 18 iso 0 dist 7.36323 8.75662 6.7828 5.50396 7.27472 9.586 14.6259 15.5296 9.44691 14.4081 numMergedOcc 0
27 mol 25 unq 0 iso 0 dist 5.04899 7.45383 7.33728 6.47509 7.05196 5.20109 10.9391 11.9561 6.16347 5.63212 numMergedOcc 0
28 mol 25 unq 1 iso 0 dist 5.04899 8.87757 5.77929 5.03027 7.52933 12.7995 15.5644 12.7009 8.50222 18.6183 numMergedOcc 0
29 mol 25 unq 2 iso 0 dist 5.04899 8.87757 5.77929 5.03027 7.52933 12.7995 16.1048 12.8117 7.55264 19.7151 numMergedOcc 0
30 mol 25 unq 3 iso 0 dist 5.04899 8.87757 5.77929 4.69295 6.55597 9.16515 15.5644 12.7009 8.50222 13.2447 numMergedOcc 0
31 mol 25 unq 4 iso 0 dist 5.04899 8.87757 5.77929 4.69295 6.55597 9.16515 16.1048 12.8117 7.55264 14.9982 numMergedOcc 0
32 mol 25 unq 5 iso 0 dist 5.04899 8.87757 5.77929 12.2542 9.71956 11.5214 15.5644 12.7009 8.50222 11.3512 numMergedOcc 0
33 mol 25 unq 6 iso 0 dist 5.04899 8.87757 5.77929 12.2542 9.71956 11.5214 16.1048 12.8117 7.55264 14.0853 numMergedOcc 0
34 mol 25 unq 7 iso 0 dist 5.04899 8.87757 5.77929 8.79309 7.07751 9.82987 15.5644 12.7009 8.50222 11.8139 numMergedOcc 0
35 mol 25 unq 8 iso 0 dist 5.04899 8.87757 5.77929 8.79309 7.07751 9.82987 16.1048 12.8117 7.55264 14.1251 numMergedOcc 0
36 mol 25 unq 9 iso 0 dist 5.04899 8.87757 5.77929 8.17061 8.23761 13.3492 15.5644 12.7009 8.50222 17.5134 numMergedOcc 0
37 mol 25 unq 10 iso 0 dist 5.04899 8.87757 5.77929 8.17061 8.23761 13.3492 16.1048 12.8117 7.55264 19.2117 numMergedOcc 0
38 mol 25 unq 11 iso 0 dist 5.04899 8.87757 5.77929 13.6145 9.49421 6.53269 15.5644 12.7009 8.50222 5.18617 numMergedOcc 0
39 mol 25 unq 12 iso 0 dist 5.04899 8.87757 5.77929 13.6145 9.49421 6.53269 16.1048 12.8117 7.55264 5.68041 numMergedOcc 0
40 mol 25 unq 13 iso 0 dist 7.57578 8.50222 6.08585 10.2864 4.79873 9.35791 15.5644 11.9561 8.87757 11.6045 numMergedOcc 0
41 mol 25 unq 14 iso 0 dist 7.57578 8.50222 6.08585 10.2864 4.79873 9.35791 4.33106 7.17969 7.55264 11.4148 numMergedOcc 0
42 mol 25 unq 15 iso 0 dist 7.57578 8.50222 6.08585 5.18617 9.48085 6.53269 15.5644 11.9561 8.87757 13.6145 numMergedOcc 0
43 mol 25 unq 16 iso 0 dist 7.57578 8.50222 6.08585 5.18617 9.48085 6.53269 4.33106 7.17969 7.55264 5.68041 numMergedOcc 0
44 mol 25 unq 17 iso 0 dist 7.17969 7.55264 6.08585 11.4148 4.79873 9.35791 16.1048 11.9561 8.87757 11.6045 numMergedOcc 0
45 mol 25 unq 18 iso 0 dist 7.17969 7.55264 6.08585 11.4148 4.79873 9.35791 4.33106 7.57578 8.50222 10.2864 numMergedOcc 0
46 mol 25 unq 19 iso 0 dist 7.17969 7.55264 6.08585 5.68041 9.48085 6.53269 16.1048 11.9561 8.87757 13.6145 numMergedOcc 0
47 mol 25 unq 20 iso 0 dist 7.17969 7.55264 6.08585 5.68041 9.48085 6.53269 4.33106 7.57578 8.50222 5.18617 numMergedOcc 0
48 mol 25 unq 21 iso 0 dist 6.03987 8.6653 5.82503 4.77954 7.99919 10.4755 10.6808 11.6743 7.92503 10.2738 numMergedOcc 0
49 mol 100 unq 0 iso 0 dist 9.60661 7.01812 5.80144 4.03277 8.91882 6.59691 5.88134 6.65086 8.30845 6.23008 numMergedOcc 0
50 mol 100 unq 1 iso 0 dist 7.47343 8.30845 12.2861 5.9143 7.82475 13.9449 5.88134 12.0662 7.01812 9.70168 numMergedOcc 0
51 mol 100 unq 2 iso 0 dist 7.47343 8.30845 12.2861 5.47563 5.35782 13.2383 5.88134 12.0662 7.01812 10.8282 numMergedOcc 0
52 mol 100 unq 3 iso 0 dist 6.65086 8.30845 5.80144 6.23008 8.91882 6.59691 5.88134 9.60661 7.01812 4.03277 numMergedOcc 0
53 mol 133 unq 0 iso 0 dist 8.22656 7.71248 10.6025 6.9945 7.22643 13.0475 6.761 10.0372 9.97654 11.8451 numMergedOcc 0
54 mol 133 unq 1 iso 0 dist 8.22656 7.71248 10.6025 6.9945 7.22643 13.0475 7.6656 13.4163 6.66772 14.6139 numMergedOcc 0
55 mol 133 unq 2 iso 0 dist 6.29155 6.16242 4.54648 13.0405 8.77023 8.83732 7.81217 6.80239 5.87634 13.7612 numMergedOcc 0
56 mol 133 unq 3 iso 0 dist 6.80239 5.87634 4.54648 13.7612 8.77023 8.83732 7.81217 6.29155 6.16242 13.0405 numMergedOcc 0
57 mol 134 unq 0 iso 0 dist 8.94367 6.23142 4.57832 8.06642 7.21868 9.0176 5.00526 11.9139 7.69991 12.847 numMergedOcc 0
58 mol 134 unq 1 iso 0 dist 8.94367 6.23142 4.57832 8.06642 7.21868 9.0176 6.81259 9.86662 9.94764 4.00092 numMergedOcc 0
59 mol 134 unq 2 iso 0 dist 6.37586 6.23142 5.29786 6.95573 9.33924 12.2587 5.00526 9.5126 7.69991 9.45357 numMergedOcc 0
60 mol 134 unq 3 iso 0 dist 6.37586 6.23142 5.29786 6.95573 9.33924 12.2587 6.81259 9.71307 9.94764 10.2026 numMergedOcc 0
61 mol 134 unq 4 iso 0 dist 6.37586 6.23142 5.29786 8.06642 7.93372 9.0176 5.00526 9.5126 7.69991 12.847 numMergedOcc 0
62 mol 134 unq 5 iso 0 dist 6.37586 6.23142 5.29786 8.06642 7.93372 9.0176 6.81259 9.71307 9.94764 4.00092 numMergedOcc 0
63 mol 134 unq 6 iso 0 dist 6.49416 7.80532 9.87376 12.3479 9.33094 10.1824 5.79898 9.93925 5.83771 10.6898 numMergedOcc 0
64 mol 134 unq 7 iso 0 dist 9.86662 9.94764 4.57832 4.00092 7.21868 9.0176 11.3271 11.9139 7.69991 12.847 numMergedOcc 0
65 mol 134 unq 8 iso 0 dist 9.86662 9.94764 4.57832 4.00092 7.21868 9.0176 6.81259 8.94367 6.23142 8.06642 numMergedOcc 0
66 mol 134 unq 9 iso 0 dist 9.71307 9.94764 5.29786 10.2026 9.33924 12.2587 11.3271 9.5126 7.69991 9.45357 numMergedOcc 0
67 mol 134 unq 10 iso 0 dist 9.71307 9.94764 5.29786 10.2026 9.33924 12.2587 6.81259 6.37586 6.23142 6.95573 numMergedOcc 0
68 mol 134 unq 11 iso 0 dist 9.71307 9.94764 5.29786 4.00092 7.93372 9.0176 11.3271 9.5126 7.69991 12.847 numMergedOcc 0
69 mol 134 unq 12 iso 0 dist 9.71307 9.94764 5.29786 4.00092 7.93372 9.0176 6.81259 6.37586 6.23142 8.06642 numMergedOcc 0
70 mol 170 unq 0 iso 0 dist 9.76807 6.35982 4.34698 4.78249 9.51256 6.47164 6.52462 12.8696 9.10511 4.12764 numMergedOcc 0
71 mol 181 unq 0 iso 0 dist 7.81386 9.39829 7.20191 6.8757 6.64173 12.6232 8.85576 7.63312 6.41453 10.6474 numMergedOcc 0
72 mol 181 unq 1 iso 0 dist 7.81386 9.39829 7.20191 5.71898 9.01624 5.99437 8.85576 7.63312 6.41453 5.93724 numMergedOcc 0
73 mol 181 unq 2 iso 0 dist 7.81386 9.39829 7.20191 5.83796 9.55105 8.4848 8.85576 7.63312 6.41453 5.12833 numMergedOcc 0
74 mol 181 unq 3 iso 0 dist 7.63312 6.41453 7.20191 10.6474 6.64173 12.6232 8.85576 7.81386 9.39829 6.8757 numMergedOcc 0
75 mol 181 unq 4 iso 0 dist 7.63312 6.41453 7.20191 5.93724 9.01624 5.99437 8.85576 7.81386 9.39829 5.71898 numMergedOcc 0
76 mol 181 unq 5 iso 0 dist 7.63312 6.41453 7.20191 5.12833 9.55105 8.4848 8.85576 7.81386 9.39829 5.83796 numMergedOcc 0
77 mol 227 unq 0 iso 0 dist 7.22101 7.43071 6.35849 5.0317 5.23634 9.18728 4.39704 7.09863 6.02296 5.83175 numMergedOcc 0
78 mol 227 unq 1 iso 0 dist 8.65997 7.43071 10.204 5.0317 6.91318 9.18728 4.39704 10.8157 6.02296 5.83175 numMergedOcc 0
79 mol 227 unq 2 iso 0 dist 7.09863 6.02296 6.35849 5.83175 5.23634 9.18728 4.39704 7.22101 7.43071 5.0317 numMergedOcc 0
80 mol 232 unq 0 iso 0 dist 8.27212 9.40808 4.9377 5.10213 6.71524 9.9183 6.56633 10.5803 8.50102 9.74344 numMergedOcc 0
81 mol 259 unq 0 iso 0 dist 8.13497 7.98231 8.41846 8.8603 9.07743 14.6679 6.96053 10.3935 7.08526 11.8896 numMergedOcc 0
82 mol 259 unq 1 iso 0 dist 7.88519 7.98231 8.81835 7.20604 9.63573 11.547 6.96053 7.46176 7.08526 5.21606 numMergedOcc 0
83 mol 259 unq 2 iso 0 dist 7.88519 7.98231 8.81835 8.8603 7.66153 14.6679 6.96053 7.46176 7.08526 11.8896 numMergedOcc 0
84 mol 259 unq 3 iso 0 dist 7.46176 7.08526 8.81835 5.21606 9.63573 11.547 6.96053 7.88519 7.98231 7.20604 numMergedOcc 0
85 mol 259 unq 4 iso 0 dist 7.46176 7.08526 8.81835 11.8896 7.66153 14.6679 6.96053 7.88519 7.98231 8.8603 numMergedOcc 0
