0 mol 16 unq 0 iso 0 dist 4.7319 6.72833 6.51133 6.86055 7.65889 5.94982 11.0958 10.2656 5.30082 6.42835 10.4852 11.6856 6.93532 5.01101 5.05803 numMergedOcc 0
1 mol 16 unq 1 iso 0 dist 5.05803 6.93532 5.30082 5.01101 6.42835 5.94982 11.6856 10.2656 6.51133 7.65889 10.4852 11.0958 6.72833 6.86055 4.7319 numMergedOcc 0
2 mol 16 unq 2 iso 0 dist 6.31718 6.93532 10.4366 5.01101 11.0298 5.94982 11.6856 16.4761 6.51133 7.65889 10.4852 15.8605 6.72833 6.86055 4.7319 numMergedOcc 0
3 mol 24 unq 0 iso 0 dist 6.86014 9.01567 8.67951 8.91183 12.5088 6.19899 11.0194 11.4989 4.50066 5.68215 15.5315 15.5324 9.83002 10.1698 5.54419 numMergedOcc 0
4 mol 24 unq 1 iso 0 dist 6.86014 7.29868 8.52463 8.91183 12.5088 6.61696 11.0194 11.4989 5.11617 5.68215 15.5315 15.5324 8.4051 10.1698 5.54419 numMergedOcc 0
5 mol 24 unq 2 iso 0 dist 8.86116 8.60554 8.52463 14.8647 12.5088 6.61696 13.2433 11.4989 5.11617 5.68215 14.6259 15.5324 8.4051 10.1698 5.54419 numMergedOcc 0
6 mol 24 unq 3 iso 0 dist 8.86116 9.44691 13.4893 14.4081 17.9275 9.586 15.5296 19.2131 6.7828 7.27472 14.6259 15.5324 8.75662 5.50396 7.36323 numMergedOcc 0
7 mol 24 unq 4 iso 0 dist 8.38394 8.60554 12.3994 14.8647 17.9146 6.61696 13.2433 15.4364 5.11617 5.68215 14.6259 17.8264 8.4051 10.1698 5.54419 numMergedOcc 0
8 mol 24 unq 5 iso 0 dist 8.38394 8.60554 12.3994 5.11636 10.9819 5.80953 8.86116 6.44287 8.52463 7.95042 10.0952 12.5077 7.29868 5.69214 6.86014 numMergedOcc 0
9 mol 24 unq 6 iso 0 dist 8.38394 9.44691 12.505 14.4081 19.8965 9.586 15.5296 19.1123 6.7828 7.27472 14.6259 17.8264 8.75662 5.50396 7.36323 numMergedOcc 0
10 mol 24 unq 7 iso 0 dist 5.54419 8.4051 5.11617 13.6174 10.9113 5.80953 15.5324 11.4989 8.52463 7.95042 15.5315 11.0194 7.29868 5.69214 6.86014 numMergedOcc 0
11 mol 24 unq 8 iso 0 dist 5.54419 8.4051 5.11617 13.6174 10.9113 5.80953 15.5324 11.4989 8.52463 7.95042 14.6259 13.2433 8.60554 5.11636 8.86116 numMergedOcc 0
12 mol 24 unq 9 iso 0 dist 7.36323 8.4051 13.2229 13.6174 16.707 5.80953 15.5324 19.2131 8.52463 7.95042 15.5315 20.3888 7.29868 5.69214 6.86014 numMergedOcc 0
13 mol 24 unq 10 iso 0 dist 7.36323 8.4051 13.2229 13.6174 16.707 5.80953 15.5324 19.2131 8.52463 7.95042 14.6259 15.5296 8.60554 5.11636 8.86116 numMergedOcc 0
14 mol 25 unq 0 iso 0 dist 5.04899 8.87757 5.77929 13.6145 9.49421 6.53269 11.9561 10.9391 6.08585 9.48085 15.5644 12.7009 8.50222 5.18617 7.57578 numMergedOcc 0
15 mol 25 unq 1 iso 0 dist 5.04899 8.87757 5.77929 13.6145 9.49421 6.53269 11.9561 10.9391 6.08585 9.48085 16.1048 12.8117 7.55264 5.68041 7.17969 numMergedOcc 0
16 mol 25 unq 2 iso 0 dist 7.57578 6.16347 9.34396 5.63212 10.9703 5.20109 11.9561 15.5644 7.33728 7.05196 10.9391 12.7009 7.45383 6.47509 5.04899 numMergedOcc 0
17 mol 25 unq 3 iso 0 dist 7.57578 8.50222 6.08585 13.2447 11.037 9.16515 12.7009 10.9391 5.77929 6.55597 15.5644 11.9561 8.87757 4.69295 5.04899 numMergedOcc 0
18 mol 25 unq 4 iso 0 dist 7.57578 8.50222 6.08585 11.8139 13.0315 9.82987 12.7009 10.9391 5.77929 7.07751 15.5644 11.9561 8.87757 8.79309 5.04899 numMergedOcc 0
19 mol 25 unq 5 iso 0 dist 7.57578 8.50222 6.08585 5.18617 9.48085 6.53269 12.7009 10.9391 5.77929 9.49421 15.5644 11.9561 8.87757 13.6145 5.04899 numMergedOcc 0
20 mol 25 unq 6 iso 0 dist 7.17969 6.16347 10.8498 5.63212 10.3338 5.20109 11.9561 16.1048 7.33728 7.05196 10.9391 12.8117 7.45383 6.47509 5.04899 numMergedOcc 0
21 mol 25 unq 7 iso 0 dist 7.17969 7.55264 6.08585 14.9982 11.037 9.16515 12.8117 10.9391 5.77929 6.55597 16.1048 11.9561 8.87757 4.69295 5.04899 numMergedOcc 0
22 mol 25 unq 8 iso 0 dist 7.17969 7.55264 6.08585 14.1251 13.0315 9.82987 12.8117 10.9391 5.77929 7.07751 16.1048 11.9561 8.87757 8.79309 5.04899 numMergedOcc 0
23 mol 25 unq 9 iso 0 dist 7.17969 7.55264 6.08585 5.68041 9.48085 6.53269 12.8117 10.9391 5.77929 9.49421 16.1048 11.9561 8.87757 13.6145 5.04899 numMergedOcc 0
24 mol 72 unq 0 iso 0 dist 8.8178 9.27838 15.434 5.69391 13.6019 7.58875 9.96708 10.7394 11.6378 9.55118 8.24309 9.84449 16.0048 9.78221 9.78528 numMergedOcc 0
25 mol 73 unq 0 iso 0 dist 6.19304 9.24757 6.56633 5.70116 7.4369 6.14542 9.96396 5.4148 5.11416 9.73086 15.7123 10.2049 13.8696 17.4121 9.38498 numMergedOcc 0
26 mol 73 unq 1 iso 0 dist 6.19304 9.24757 6.56633 5.70116 7.4369 6.14542 9.96396 5.4148 5.11416 9.73086 12.016 11.6369 13.0145 14.844 9.75218 numMergedOcc 0
27 mol 73 unq 2 iso 0 dist 8.70481 9.24757 15.3808 5.70116 12.8207 6.14542 9.96396 14.9342 5.11416 9.73086 15.7123 20.257 13.8696 17.4121 9.38498 numMergedOcc 0
28 mol 73 unq 3 iso 0 dist 8.70481 9.24757 15.3808 5.70116 12.8207 6.14542 9.96396 14.9342 5.11416 9.73086 12.016 10.1207 13.0145 14.844 9.75218 numMergedOcc 0
29 mol 100 unq 0 iso 0 dist 9.60661 7.01812 5.80144 4.03277 8.91882 6.59691 10.1489 10.8375 5.42531 9.21662 8.98304 16.1937 10.9242 9.39125 8.87449 numMergedOcc 0
30 mol 100 unq 1 iso 0 dist 7.17106 7.01812 8.4128 4.03277 10.5432 6.59691 9.60661 11.5403 5.80144 8.91882 5.88134 10.5134 8.30845 6.23008 6.65086 numMergedOcc 0
31 mol 100 unq 2 iso 0 dist 7.17106 7.01812 8.4128 4.03277 10.5432 6.59691 10.1489 10.8586 5.42531 9.21662 8.98304 10.9461 10.9242 9.39125 8.87449 numMergedOcc 0
32 mol 100 unq 3 iso 0 dist 9.35224 7.01812 10.0456 4.03277 11.5088 6.59691 9.60661 7.80879 5.80144 8.91882 5.88134 6.56369 8.30845 6.23008 6.65086 numMergedOcc 0
33 mol 100 unq 4 iso 0 dist 9.35224 7.01812 10.0456 4.03277 11.5088 6.59691 10.1489 15.1999 5.42531 9.21662 8.98304 17.5156 10.9242 9.39125 8.87449 numMergedOcc 0
34 mol 100 unq 5 iso 0 dist 7.47343 8.30845 12.2861 6.23008 9.76432 6.59691 6.65086 8.8807 5.80144 8.91882 5.88134 12.0662 7.01812 4.03277 9.60661 numMergedOcc 0
35 mol 100 unq 6 iso 0 dist 7.47343 8.30845 12.2861 6.23008 9.76432 6.59691 13.2001 16.3949 5.42531 9.21662 14.5815 19.1149 10.9242 9.39125 8.87449 numMergedOcc 0
36 mol 100 unq 7 iso 0 dist 6.65086 8.30845 5.80144 6.23008 8.91882 6.59691 13.2001 10.8375 5.42531 9.21662 14.5815 16.1937 10.9242 9.39125 8.87449 numMergedOcc 0
37 mol 100 unq 8 iso 0 dist 6.56369 8.30845 10.0456 6.23008 11.5088 6.59691 6.65086 7.80879 5.80144 8.91882 5.88134 9.35224 7.01812 4.03277 9.60661 numMergedOcc 0
38 mol 100 unq 9 iso 0 dist 6.56369 8.30845 10.0456 6.23008 11.5088 6.59691 13.2001 15.1999 5.42531 9.21662 14.5815 17.5156 10.9242 9.39125 8.87449 numMergedOcc 0
39 mol 100 unq 10 iso 0 dist 9.30209 8.30845 6.70236 6.23008 11.6812 6.59691 6.65086 5.38414 5.80144 8.91882 5.88134 10.5853 7.01812 4.03277 9.60661 numMergedOcc 0
40 mol 100 unq 11 iso 0 dist 9.30209 8.30845 6.70236 6.23008 11.6812 6.59691 13.2001 11.2306 5.42531 9.21662 14.5815 16.4951 10.9242 9.39125 8.87449 numMergedOcc 0
41 mol 119 unq 0 iso 0 dist 6.18601 6.73586 5.13589 4.39676 8.95212 8.67537 10.1813 10.9871 10.8661 6.99446 9.22558 13.9919 11.5311 6.20019 9.87172 numMergedOcc 0
42 mol 119 unq 1 iso 0 dist 6.18601 6.73586 5.13589 4.39676 8.95212 8.67537 9.72413 9.93257 12.0175 7.64052 12.8594 16.4353 17.8739 9.68677 8.73993 numMergedOcc 0
43 mol 129 unq 0 iso 0 dist 9.61051 7.58957 5.68211 6.28232 11.3039 6.34626 10.1333 10.4792 4.92472 5.51197 15.8709 16.7038 12.0256 12.1739 8.54584 numMergedOcc 0
44 mol 129 unq 1 iso 0 dist 5.83384 7.58957 10.5488 6.28232 11.7541 6.34626 10.1333 14.6152 4.92472 5.51197 15.8709 20.323 12.0256 12.1739 8.54584 numMergedOcc 0
45 mol 134 unq 0 iso 0 dist 9.89303 7.69991 4.60632 12.847 13.0242 9.0176 11.9139 6.86927 4.57832 7.21868 5.00526 9.93925 6.23142 8.06642 8.94367 numMergedOcc 0
46 mol 134 unq 1 iso 0 dist 9.89303 7.69991 4.60632 12.847 13.0242 9.0176 11.9139 6.86927 4.57832 7.21868 11.3271 14.423 9.94764 4.00092 9.86662 numMergedOcc 0
47 mol 134 unq 2 iso 0 dist 9.89303 7.69991 4.60632 12.847 13.0242 9.0176 9.5126 7.11631 5.29786 7.93372 5.00526 9.93925 6.23142 8.06642 6.37586 numMergedOcc 0
48 mol 134 unq 3 iso 0 dist 9.89303 7.69991 4.60632 12.847 13.0242 9.0176 9.5126 7.11631 5.29786 7.93372 11.3271 14.423 9.94764 4.00092 9.71307 numMergedOcc 0
49 mol 134 unq 4 iso 0 dist 6.54501 7.69991 5.71679 12.847 11.988 9.0176 11.9139 8.80819 4.57832 7.21868 5.00526 6.49416 6.23142 8.06642 8.94367 numMergedOcc 0
50 mol 134 unq 5 iso 0 dist 6.54501 7.69991 5.71679 12.847 11.988 9.0176 11.9139 8.80819 4.57832 7.21868 11.3271 12.5075 9.94764 4.00092 9.86662 numMergedOcc 0
51 mol 134 unq 6 iso 0 dist 6.54501 7.69991 5.71679 12.847 11.988 9.0176 9.5126 5.00817 5.29786 7.93372 5.00526 6.49416 6.23142 8.06642 6.37586 numMergedOcc 0
52 mol 134 unq 7 iso 0 dist 6.54501 7.69991 5.71679 12.847 11.988 9.0176 9.5126 5.00817 5.29786 7.93372 11.3271 12.5075 9.94764 4.00092 9.71307 numMergedOcc 0
53 mol 134 unq 8 iso 0 dist 8.94367 6.23142 4.57832 8.06642 7.21868 9.0176 6.37586 5.49782 5.29786 7.93372 6.81259 9.86662 9.94764 4.00092 9.71307 numMergedOcc 0
54 mol 134 unq 9 iso 0 dist 6.37586 6.23142 5.29786 8.06642 7.93372 9.0176 8.94367 5.49782 4.57832 7.21868 6.81259 9.71307 9.94764 4.00092 9.86662 numMergedOcc 0
55 mol 134 unq 10 iso 0 dist 6.49416 6.23142 5.71679 8.06642 11.988 9.0176 8.94367 8.80819 4.57832 7.21868 6.81259 12.5075 9.94764 4.00092 9.86662 numMergedOcc 0
56 mol 134 unq 11 iso 0 dist 6.49416 6.23142 5.71679 8.06642 11.988 9.0176 6.37586 5.00817 5.29786 7.93372 6.81259 12.5075 9.94764 4.00092 9.71307 numMergedOcc 0
57 mol 134 unq 12 iso 0 dist 9.86662 9.94764 4.57832 4.00092 7.21868 9.0176 9.71307 5.49782 5.29786 7.93372 6.81259 8.94367 6.23142 8.06642 6.37586 numMergedOcc 0
58 mol 134 unq 13 iso 0 dist 9.71307 9.94764 5.29786 4.00092 7.93372 9.0176 9.86662 5.49782 4.57832 7.21868 6.81259 6.37586 6.23142 8.06642 8.94367 numMergedOcc 0
59 mol 227 unq 0 iso 0 dist 9.34734 7.43071 6.00424 5.0317 10.7855 9.18728 7.22101 6.99063 6.35849 5.23634 4.39704 10.4905 6.02296 5.83175 7.09863 numMergedOcc 0
60 mol 227 unq 1 iso 0 dist 9.34734 5.41321 10.7656 5.0317 10.7855 8.91971 7.22101 6.99063 10.9607 5.23634 4.39704 10.4905 9.74265 5.83175 7.09863 numMergedOcc 0
61 mol 227 unq 2 iso 0 dist 8.65997 7.43071 10.204 5.0317 6.91318 9.18728 7.22101 5.22356 6.35849 5.23634 4.39704 10.8157 6.02296 5.83175 7.09863 numMergedOcc 0
62 mol 227 unq 3 iso 0 dist 8.65997 5.41321 9.72615 5.0317 6.91318 8.91971 7.22101 5.22356 10.9607 5.23634 4.39704 10.8157 9.74265 5.83175 7.09863 numMergedOcc 0
63 mol 227 unq 4 iso 0 dist 7.56888 7.43071 9.76735 5.0317 11.2661 9.18728 7.22101 10.8658 6.35849 5.23634 4.39704 11.0431 6.02296 5.83175 7.09863 numMergedOcc 0
64 mol 227 unq 5 iso 0 dist 7.56888 5.41321 5.10635 5.0317 11.2661 8.91971 7.22101 10.8658 10.9607 5.23634 4.39704 11.0431 9.74265 5.83175 7.09863 numMergedOcc 0
65 mol 227 unq 6 iso 0 dist 7.55216 7.43071 9.32448 5.0317 12.3663 9.18728 7.22101 12.4689 6.35849 5.23634 4.39704 10.0334 6.02296 5.83175 7.09863 numMergedOcc 0
66 mol 227 unq 7 iso 0 dist 7.55216 5.41321 6.48027 5.0317 12.3663 8.91971 7.22101 12.4689 10.9607 5.23634 4.39704 10.0334 9.74265 5.83175 7.09863 numMergedOcc 0
67 mol 227 unq 8 iso 0 dist 7.09863 6.02296 6.35849 5.83175 5.23634 9.18728 10.8157 5.22356 10.204 6.91318 4.39704 7.22101 7.43071 5.0317 8.65997 numMergedOcc 0
68 mol 229 unq 0 iso 0 dist 8.22528 8.66332 6.65022 5.70473 7.27993 9.37336 11.7165 7.0298 10.2411 6.95201 8.36584 11.6115 13.8021 4.61227 9.87838 numMergedOcc 0
69 mol 234 unq 0 iso 0 dist 8.41436 7.32499 10.7902 13.1872 17.3846 7.77911 10.3625 16.814 10.0059 7.81215 19.022 26.0963 17.6227 12.4252 9.45496 numMergedOcc 0
70 mol 234 unq 1 iso 0 dist 8.41436 7.32499 10.7902 13.1872 17.3846 7.77911 10.3625 16.814 10.0059 7.81215 16.0265 21.2726 12.6238 5.75498 6.7625 numMergedOcc 0
71 mol 234 unq 2 iso 0 dist 8.92474 7.32499 4.4288 13.1872 11.3419 7.77911 10.3625 14.1297 10.0059 7.81215 19.022 22.0184 17.6227 12.4252 9.45496 numMergedOcc 0
72 mol 234 unq 3 iso 0 dist 8.92474 7.32499 4.4288 13.1872 11.3419 7.77911 10.3625 14.1297 10.0059 7.81215 16.0265 16.5742 12.6238 5.75498 6.7625 numMergedOcc 0
