0 mol 16 unq 0 iso 0 dist 4.7319 7.65889 6.86055 6.51133 6.72833 5.94982 11.6856 10.4852 5.01101 6.93532 numMergedOcc 0
1 mol 16 unq 1 iso 0 dist 5.05803 6.42835 5.01101 5.30082 6.93532 5.94982 11.0958 10.4852 6.86055 6.72833 numMergedOcc 0
2 mol 24 unq 0 iso 0 dist 6.86014 7.95042 5.69214 8.52463 7.29868 5.80953 15.5324 15.5315 13.6174 8.4051 numMergedOcc 0
3 mol 24 unq 1 iso 0 dist 6.86014 7.95042 5.69214 8.52463 7.29868 5.80953 8.86116 10.0952 5.11636 8.60554 numMergedOcc 0
4 mol 24 unq 2 iso 0 dist 8.86116 7.95042 5.11636 8.52463 8.60554 5.80953 15.5324 14.6259 13.6174 8.4051 numMergedOcc 0
5 mol 24 unq 3 iso 0 dist 8.86116 7.95042 5.11636 8.52463 8.60554 5.80953 6.86014 10.0952 5.69214 7.29868 numMergedOcc 0
6 mol 24 unq 4 iso 0 dist 5.54419 5.68215 10.1698 4.50066 9.83002 6.19899 11.0194 15.5315 8.91183 9.01567 numMergedOcc 0
7 mol 24 unq 5 iso 0 dist 5.54419 5.68215 10.1698 5.11617 8.4051 6.61696 11.0194 15.5315 8.91183 7.29868 numMergedOcc 0
8 mol 24 unq 6 iso 0 dist 5.54419 5.68215 10.1698 5.11617 8.4051 6.61696 13.2433 14.6259 14.8647 8.60554 numMergedOcc 0
9 mol 24 unq 7 iso 0 dist 7.36323 7.27472 5.50396 6.7828 8.75662 9.586 15.5296 14.6259 14.4081 9.44691 numMergedOcc 0
10 mol 25 unq 0 iso 0 dist 5.04899 6.55597 4.69295 5.77929 8.87757 9.16515 12.7009 15.5644 13.2447 8.50222 numMergedOcc 0
11 mol 25 unq 1 iso 0 dist 5.04899 6.55597 4.69295 5.77929 8.87757 9.16515 12.8117 16.1048 14.9982 7.55264 numMergedOcc 0
12 mol 25 unq 2 iso 0 dist 5.04899 7.07751 8.79309 5.77929 8.87757 9.82987 12.7009 15.5644 11.8139 8.50222 numMergedOcc 0
13 mol 25 unq 3 iso 0 dist 5.04899 7.07751 8.79309 5.77929 8.87757 9.82987 12.8117 16.1048 14.1251 7.55264 numMergedOcc 0
14 mol 25 unq 4 iso 0 dist 5.04899 9.49421 13.6145 5.77929 8.87757 6.53269 12.7009 15.5644 5.18617 8.50222 numMergedOcc 0
15 mol 25 unq 5 iso 0 dist 5.04899 9.49421 13.6145 5.77929 8.87757 6.53269 12.8117 16.1048 5.68041 7.55264 numMergedOcc 0
16 mol 25 unq 6 iso 0 dist 5.04899 7.05196 6.47509 7.33728 7.45383 5.20109 11.9561 10.9391 5.63212 6.16347 numMergedOcc 0
17 mol 25 unq 7 iso 0 dist 7.57578 9.48085 5.18617 6.08585 8.50222 6.53269 11.9561 15.5644 13.6145 8.87757 numMergedOcc 0
18 mol 25 unq 8 iso 0 dist 7.57578 9.48085 5.18617 6.08585 8.50222 6.53269 7.17969 4.33106 5.68041 7.55264 numMergedOcc 0
19 mol 25 unq 9 iso 0 dist 7.17969 9.48085 5.68041 6.08585 7.55264 6.53269 11.9561 16.1048 13.6145 8.87757 numMergedOcc 0
20 mol 25 unq 10 iso 0 dist 7.17969 9.48085 5.68041 6.08585 7.55264 6.53269 7.57578 4.33106 5.18617 8.50222 numMergedOcc 0
21 mol 25 unq 11 iso 0 dist 7.31767 7.6114 6.10919 5.68392 9.79094 6.29797 6.03987 4.51512 5.86705 6.85556 numMergedOcc 0
22 mol 72 unq 0 iso 0 dist 9.78528 9.55118 9.78221 11.6378 16.0048 7.58875 9.96708 8.24309 5.69391 9.27838 numMergedOcc 0
23 mol 73 unq 0 iso 0 dist 9.38498 9.73086 17.4121 5.11416 13.8696 6.14542 9.96396 15.7123 5.70116 9.24757 numMergedOcc 0
24 mol 73 unq 1 iso 0 dist 9.75218 9.73086 14.844 5.11416 13.0145 6.14542 9.96396 12.016 5.70116 9.24757 numMergedOcc 0
25 mol 100 unq 0 iso 0 dist 8.87449 9.21662 9.39125 5.42531 10.9242 6.59691 10.1489 8.98304 4.03277 7.01812 numMergedOcc 0
26 mol 100 unq 1 iso 0 dist 8.87449 9.21662 9.39125 5.42531 10.9242 6.59691 13.2001 14.5815 6.23008 8.30845 numMergedOcc 0
27 mol 100 unq 2 iso 0 dist 9.60661 8.91882 4.03277 5.80144 7.01812 6.59691 6.65086 5.88134 6.23008 8.30845 numMergedOcc 0
28 mol 100 unq 3 iso 0 dist 6.65086 8.91882 6.23008 5.80144 8.30845 6.59691 9.60661 5.88134 4.03277 7.01812 numMergedOcc 0
29 mol 119 unq 0 iso 0 dist 8.73993 7.64052 9.68677 12.0175 17.8739 8.67537 9.72413 12.8594 4.39676 6.73586 numMergedOcc 0
30 mol 119 unq 1 iso 0 dist 9.87172 6.99446 6.20019 10.8661 11.5311 8.67537 10.1813 9.22558 4.39676 6.73586 numMergedOcc 0
31 mol 129 unq 0 iso 0 dist 8.54584 5.51197 12.1739 4.92472 12.0256 6.34626 10.1333 15.8709 6.28232 7.58957 numMergedOcc 0
32 mol 133 unq 0 iso 0 dist 6.29155 8.77023 13.0405 4.54648 6.16242 8.83732 6.80239 7.81217 13.7612 5.87634 numMergedOcc 0
33 mol 133 unq 1 iso 0 dist 6.80239 8.77023 13.7612 4.54648 5.87634 8.83732 6.29155 7.81217 13.0405 6.16242 numMergedOcc 0
34 mol 133 unq 2 iso 0 dist 8.00618 8.77023 15.0115 4.54648 10.9061 8.83732 6.29155 11.965 13.0405 6.16242 numMergedOcc 0
35 mol 133 unq 3 iso 0 dist 8.00618 8.77023 15.0115 4.54648 10.9061 8.83732 6.80239 7.79672 13.7612 5.87634 numMergedOcc 0
36 mol 134 unq 0 iso 0 dist 8.94367 7.21868 8.06642 4.57832 6.23142 9.0176 11.9139 5.00526 12.847 7.69991 numMergedOcc 0
37 mol 134 unq 1 iso 0 dist 8.94367 7.21868 8.06642 4.57832 6.23142 9.0176 9.86662 6.81259 4.00092 9.94764 numMergedOcc 0
38 mol 134 unq 2 iso 0 dist 6.37586 7.93372 8.06642 5.29786 6.23142 9.0176 9.5126 5.00526 12.847 7.69991 numMergedOcc 0
39 mol 134 unq 3 iso 0 dist 6.37586 7.93372 8.06642 5.29786 6.23142 9.0176 9.71307 6.81259 4.00092 9.94764 numMergedOcc 0
40 mol 134 unq 4 iso 0 dist 9.86662 7.21868 4.00092 4.57832 9.94764 9.0176 11.9139 11.3271 12.847 7.69991 numMergedOcc 0
41 mol 134 unq 5 iso 0 dist 9.86662 7.21868 4.00092 4.57832 9.94764 9.0176 8.94367 6.81259 8.06642 6.23142 numMergedOcc 0
42 mol 134 unq 6 iso 0 dist 9.71307 7.93372 4.00092 5.29786 9.94764 9.0176 9.5126 11.3271 12.847 7.69991 numMergedOcc 0
43 mol 134 unq 7 iso 0 dist 9.71307 7.93372 4.00092 5.29786 9.94764 9.0176 6.37586 6.81259 8.06642 6.23142 numMergedOcc 0
44 mol 155 unq 0 iso 0 dist 7.46303 8.97626 9.16779 5.50031 12.2416 9.16358 6.43582 7.66392 4.91785 7.92304 numMergedOcc 0
45 mol 155 unq 1 iso 0 dist 7.46303 8.97626 9.16779 6.89781 10.9606 9.24038 12.3052 10.6882 12.6999 8.69157 numMergedOcc 0
46 mol 155 unq 2 iso 0 dist 7.46303 8.97626 9.16779 6.89781 10.9606 9.24038 10.7829 10.7349 7.10286 6.53347 numMergedOcc 0
47 mol 155 unq 3 iso 0 dist 6.43582 8.97626 4.91785 6.89781 10.3161 9.24038 12.3052 14.7007 12.6999 8.69157 numMergedOcc 0
48 mol 155 unq 4 iso 0 dist 6.43582 8.97626 4.91785 6.89781 10.3161 9.24038 10.7829 10.7616 7.10286 6.53347 numMergedOcc 0
49 mol 170 unq 0 iso 0 dist 9.76807 9.51256 4.78249 4.34698 6.35982 6.47164 12.8696 6.52462 4.12764 9.10511 numMergedOcc 0
50 mol 181 unq 0 iso 0 dist 9.1374 9.76212 12.9532 4.43096 12.4878 7.35884 8.03334 13.2049 6.50233 6.46704 numMergedOcc 0
51 mol 181 unq 1 iso 0 dist 7.81386 6.64173 6.8757 5.63555 10.4943 8.12266 7.63312 8.85576 10.6474 5.9176 numMergedOcc 0
52 mol 181 unq 2 iso 0 dist 7.81386 9.01624 5.71898 7.20191 9.39829 5.99437 7.63312 8.85576 5.93724 6.41453 numMergedOcc 0
53 mol 181 unq 3 iso 0 dist 7.81386 9.55105 5.83796 5.63555 10.4943 9.43306 7.63312 8.85576 5.12833 5.9176 numMergedOcc 0
54 mol 181 unq 4 iso 0 dist 7.81386 9.55105 5.83796 7.20191 9.39829 8.4848 7.63312 8.85576 5.12833 6.41453 numMergedOcc 0
55 mol 181 unq 5 iso 0 dist 7.63312 9.01624 5.93724 7.20191 6.41453 5.99437 7.81386 8.85576 5.71898 9.39829 numMergedOcc 0
56 mol 181 unq 6 iso 0 dist 7.63312 9.55105 5.12833 7.20191 6.41453 8.4848 7.81386 8.85576 5.83796 9.39829 numMergedOcc 0
57 mol 204 unq 0 iso 0 dist 7.10633 7.9133 10.7169 5.86489 11.5776 9.48625 8.51516 10.8344 5.57347 7.32294 numMergedOcc 0
58 mol 227 unq 0 iso 0 dist 7.22101 5.23634 5.0317 6.35849 7.43071 9.18728 7.09863 4.39704 5.83175 6.02296 numMergedOcc 0
59 mol 227 unq 1 iso 0 dist 8.65997 6.91318 5.0317 10.204 7.43071 9.18728 10.8157 4.39704 5.83175 6.02296 numMergedOcc 0
60 mol 227 unq 2 iso 0 dist 7.09863 5.23634 5.83175 6.35849 6.02296 9.18728 7.22101 4.39704 5.0317 7.43071 numMergedOcc 0
61 mol 227 unq 3 iso 0 dist 7.09863 5.23634 5.83175 10.9607 9.74265 8.91971 7.22101 4.39704 5.0317 5.41321 numMergedOcc 0
62 mol 229 unq 0 iso 0 dist 7.03423 7.27993 7.22525 6.65022 11.1976 9.37336 8.22528 5.57838 5.70473 8.66332 numMergedOcc 0
63 mol 229 unq 1 iso 0 dist 9.87838 6.95201 4.61227 10.2411 13.8021 9.37336 11.7165 8.36584 5.70473 8.66332 numMergedOcc 0
64 mol 232 unq 0 iso 0 dist 8.27212 6.71524 5.10213 4.9377 9.40808 9.9183 10.5803 6.56633 9.74344 8.50102 numMergedOcc 0
65 mol 234 unq 0 iso 0 dist 9.45496 7.81215 12.4252 10.0059 17.6227 7.77911 10.3625 19.022 13.1872 7.32499 numMergedOcc 0
66 mol 234 unq 1 iso 0 dist 6.7625 7.81215 5.75498 10.0059 12.6238 7.77911 10.3625 16.0265 13.1872 7.32499 numMergedOcc 0
67 mol 273 unq 0 iso 0 dist 9.01049 9.59325 12.2939 4.60101 11.6152 6.35532 13.3579 19.565 8.56043 8.83865 numMergedOcc 0
68 mol 273 unq 1 iso 0 dist 9.01049 9.59325 12.2939 4.60101 11.6152 6.35532 13.4294 18.0621 8.81454 9.18157 numMergedOcc 0
