0 mol 15 unq 0 iso 0 dist 8.38064 7.07399 4.29582 11.0528 9.88835 5.89412 5.49251 9.84471 6.23015 6.91314 numMergedOcc 0
1 mol 16 unq 0 iso 0 dist 4.7319 6.72833 6.51133 10.4852 11.6856 6.93532 6.86055 7.65889 5.94982 5.01101 numMergedOcc 0
2 mol 16 unq 1 iso 0 dist 5.05803 6.93532 5.30082 10.4852 11.0958 6.72833 5.01101 6.42835 5.94982 6.86055 numMergedOcc 0
3 mol 16 unq 2 iso 0 dist 6.31718 6.93532 10.4366 10.4852 15.8605 6.72833 5.01101 11.0298 5.94982 6.86055 numMergedOcc 0
4 mol 19 unq 0 iso 0 dist 7.20519 7.75618 4.96411 7.67038 10.4091 8.40416 8.7083 11.877 8.54034 10.4416 numMergedOcc 0
5 mol 19 unq 1 iso 0 dist 8.4674 8.40416 9.74255 7.67038 4.54938 7.75618 10.4416 13.0732 8.54034 8.7083 numMergedOcc 0
6 mol 19 unq 2 iso 0 dist 4.54938 7.75618 9.74255 7.67038 8.4674 8.40416 8.7083 13.0732 8.54034 10.4416 numMergedOcc 0
7 mol 19 unq 3 iso 0 dist 4.51865 8.40416 7.08342 7.67038 6.864 7.75618 10.4416 12.2354 8.54034 8.7083 numMergedOcc 0
8 mol 19 unq 4 iso 0 dist 6.864 7.75618 7.08342 7.67038 4.51865 8.40416 8.7083 12.2354 8.54034 10.4416 numMergedOcc 0
9 mol 24 unq 0 iso 0 dist 6.86014 7.29868 8.52463 15.5315 15.5324 8.4051 8.91183 12.5088 6.61696 10.1698 numMergedOcc 0
10 mol 24 unq 1 iso 0 dist 6.86014 7.29868 8.52463 15.5315 15.5324 8.4051 5.69214 7.95042 5.80953 13.6174 numMergedOcc 0
11 mol 24 unq 2 iso 0 dist 6.86014 7.29868 8.52463 10.0952 8.86116 8.60554 8.91183 12.5088 6.61696 14.8647 numMergedOcc 0
12 mol 24 unq 3 iso 0 dist 6.86014 7.29868 8.52463 10.0952 8.86116 8.60554 5.69214 7.95042 5.80953 5.11636 numMergedOcc 0
13 mol 24 unq 4 iso 0 dist 6.86014 9.41441 6.66749 11.4989 11.0194 6.73939 9.88364 10.2862 9.85784 15.4313 numMergedOcc 0
14 mol 24 unq 5 iso 0 dist 6.86014 9.41441 6.66749 11.4989 11.0194 6.73939 9.78753 11.825 9.87996 14.1829 numMergedOcc 0
15 mol 24 unq 6 iso 0 dist 8.86116 8.60554 8.52463 14.6259 15.5324 8.4051 14.8647 12.5088 6.61696 10.1698 numMergedOcc 0
16 mol 24 unq 7 iso 0 dist 8.86116 8.60554 8.52463 14.6259 15.5324 8.4051 5.11636 7.95042 5.80953 13.6174 numMergedOcc 0
17 mol 24 unq 8 iso 0 dist 8.86116 8.60554 8.52463 10.0952 6.86014 7.29868 14.8647 12.5088 6.61696 8.91183 numMergedOcc 0
18 mol 24 unq 9 iso 0 dist 8.86116 8.60554 8.52463 10.0952 6.86014 7.29868 5.11636 7.95042 5.80953 5.69214 numMergedOcc 0
19 mol 24 unq 10 iso 0 dist 8.86116 9.44691 13.4893 14.6259 15.5324 8.75662 14.4081 17.9275 9.586 5.50396 numMergedOcc 0
20 mol 24 unq 11 iso 0 dist 8.86116 9.41441 14.012 11.4989 13.2433 6.73939 9.88364 18.188 9.85784 15.4313 numMergedOcc 0
21 mol 24 unq 12 iso 0 dist 8.86116 9.41441 14.012 11.4989 13.2433 6.73939 9.78753 18.4146 9.87996 14.1829 numMergedOcc 0
22 mol 24 unq 13 iso 0 dist 8.38394 8.60554 12.3994 14.6259 17.8264 8.4051 14.8647 17.9146 6.61696 10.1698 numMergedOcc 0
23 mol 24 unq 14 iso 0 dist 8.38394 8.60554 12.3994 14.6259 17.8264 8.4051 5.11636 10.9819 5.80953 13.6174 numMergedOcc 0
24 mol 24 unq 15 iso 0 dist 8.38394 8.60554 12.3994 10.0952 12.5077 7.29868 14.8647 17.9146 6.61696 8.91183 numMergedOcc 0
25 mol 24 unq 16 iso 0 dist 8.38394 8.60554 12.3994 10.0952 12.5077 7.29868 5.11636 10.9819 5.80953 5.69214 numMergedOcc 0
26 mol 24 unq 17 iso 0 dist 8.38394 9.44691 12.505 14.6259 17.8264 8.75662 14.4081 19.8965 9.586 5.50396 numMergedOcc 0
27 mol 24 unq 18 iso 0 dist 5.54419 8.4051 5.11617 15.5315 11.0194 7.29868 10.1698 5.68215 6.61696 8.91183 numMergedOcc 0
28 mol 24 unq 19 iso 0 dist 5.54419 8.4051 5.11617 15.5315 11.0194 7.29868 13.6174 10.9113 5.80953 5.69214 numMergedOcc 0
29 mol 24 unq 20 iso 0 dist 5.54419 8.4051 5.11617 14.6259 13.2433 8.60554 10.1698 5.68215 6.61696 14.8647 numMergedOcc 0
30 mol 24 unq 21 iso 0 dist 5.54419 8.4051 5.11617 14.6259 13.2433 8.60554 13.6174 10.9113 5.80953 5.11636 numMergedOcc 0
31 mol 24 unq 22 iso 0 dist 5.54419 8.75662 10.8238 14.6259 13.2433 9.44691 5.50396 9.33482 9.586 14.4081 numMergedOcc 0
32 mol 24 unq 23 iso 0 dist 5.54419 6.73939 12.176 11.4989 15.5324 9.41441 15.4313 20.8425 9.85784 9.88364 numMergedOcc 0
33 mol 24 unq 24 iso 0 dist 5.54419 6.73939 12.176 11.4989 15.5324 9.41441 14.1829 19.3627 9.87996 9.78753 numMergedOcc 0
34 mol 24 unq 25 iso 0 dist 7.36323 8.4051 13.2229 15.5315 20.3888 7.29868 10.1698 17.003 6.61696 8.91183 numMergedOcc 0
35 mol 24 unq 26 iso 0 dist 7.36323 8.4051 13.2229 15.5315 20.3888 7.29868 13.6174 16.707 5.80953 5.69214 numMergedOcc 0
36 mol 24 unq 27 iso 0 dist 7.36323 8.4051 13.2229 14.6259 15.5296 8.60554 10.1698 17.003 6.61696 14.8647 numMergedOcc 0
37 mol 24 unq 28 iso 0 dist 7.36323 8.4051 13.2229 14.6259 15.5296 8.60554 13.6174 16.707 5.80953 5.11636 numMergedOcc 0
38 mol 24 unq 29 iso 0 dist 7.36323 8.75662 6.7828 14.6259 15.5296 9.44691 5.50396 7.27472 9.586 14.4081 numMergedOcc 0
39 mol 25 unq 0 iso 0 dist 5.04899 7.45383 7.33728 10.9391 11.9561 6.16347 6.47509 7.05196 5.20109 5.63212 numMergedOcc 0
40 mol 25 unq 1 iso 0 dist 5.04899 8.87757 5.77929 15.5644 12.7009 8.50222 4.69295 6.55597 9.16515 13.2447 numMergedOcc 0
41 mol 25 unq 2 iso 0 dist 5.04899 8.87757 5.77929 15.5644 12.7009 8.50222 8.79309 7.07751 9.82987 11.8139 numMergedOcc 0
42 mol 25 unq 3 iso 0 dist 5.04899 8.87757 5.77929 15.5644 12.7009 8.50222 14.9206 11.008 9.40732 6.28979 numMergedOcc 0
43 mol 25 unq 4 iso 0 dist 5.04899 8.87757 5.77929 15.5644 12.7009 8.50222 13.6145 9.49421 6.53269 5.18617 numMergedOcc 0
44 mol 25 unq 5 iso 0 dist 5.04899 8.87757 5.77929 16.1048 12.8117 7.55264 4.69295 6.55597 9.16515 14.9982 numMergedOcc 0
45 mol 25 unq 6 iso 0 dist 5.04899 8.87757 5.77929 16.1048 12.8117 7.55264 8.79309 7.07751 9.82987 14.1251 numMergedOcc 0
46 mol 25 unq 7 iso 0 dist 5.04899 8.87757 5.77929 16.1048 12.8117 7.55264 14.9206 11.008 9.40732 8.41421 numMergedOcc 0
47 mol 25 unq 8 iso 0 dist 5.04899 8.87757 5.77929 16.1048 12.8117 7.55264 13.6145 9.49421 6.53269 5.68041 numMergedOcc 0
48 mol 25 unq 9 iso 0 dist 7.57578 6.16347 9.34396 10.9391 12.7009 7.45383 5.63212 10.9703 5.20109 6.47509 numMergedOcc 0
49 mol 25 unq 10 iso 0 dist 7.57578 8.50222 6.08585 15.5644 11.9561 8.87757 13.2447 11.037 9.16515 4.69295 numMergedOcc 0
50 mol 25 unq 11 iso 0 dist 7.57578 8.50222 6.08585 15.5644 11.9561 8.87757 11.8139 13.0315 9.82987 8.79309 numMergedOcc 0
51 mol 25 unq 12 iso 0 dist 7.57578 8.50222 6.08585 15.5644 11.9561 8.87757 6.28979 11.971 9.40732 14.9206 numMergedOcc 0
52 mol 25 unq 13 iso 0 dist 7.57578 8.50222 6.08585 15.5644 11.9561 8.87757 5.18617 9.48085 6.53269 13.6145 numMergedOcc 0
53 mol 25 unq 14 iso 0 dist 7.57578 8.50222 6.08585 4.33106 7.17969 7.55264 13.2447 11.037 9.16515 14.9982 numMergedOcc 0
54 mol 25 unq 15 iso 0 dist 7.57578 8.50222 6.08585 4.33106 7.17969 7.55264 11.8139 13.0315 9.82987 14.1251 numMergedOcc 0
55 mol 25 unq 16 iso 0 dist 7.57578 8.50222 6.08585 4.33106 7.17969 7.55264 6.28979 11.971 9.40732 8.41421 numMergedOcc 0
56 mol 25 unq 17 iso 0 dist 7.57578 8.50222 6.08585 4.33106 7.17969 7.55264 5.18617 9.48085 6.53269 5.68041 numMergedOcc 0
57 mol 25 unq 18 iso 0 dist 7.17969 6.16347 10.8498 10.9391 12.8117 7.45383 5.63212 10.3338 5.20109 6.47509 numMergedOcc 0
58 mol 25 unq 19 iso 0 dist 7.17969 7.55264 6.08585 16.1048 11.9561 8.87757 14.9982 11.037 9.16515 4.69295 numMergedOcc 0
59 mol 25 unq 20 iso 0 dist 7.17969 7.55264 6.08585 16.1048 11.9561 8.87757 14.1251 13.0315 9.82987 8.79309 numMergedOcc 0
60 mol 25 unq 21 iso 0 dist 7.17969 7.55264 6.08585 16.1048 11.9561 8.87757 8.41421 11.971 9.40732 14.9206 numMergedOcc 0
61 mol 25 unq 22 iso 0 dist 7.17969 7.55264 6.08585 16.1048 11.9561 8.87757 5.68041 9.48085 6.53269 13.6145 numMergedOcc 0
62 mol 25 unq 23 iso 0 dist 7.17969 7.55264 6.08585 4.33106 7.57578 8.50222 14.9982 11.037 9.16515 13.2447 numMergedOcc 0
63 mol 25 unq 24 iso 0 dist 7.17969 7.55264 6.08585 4.33106 7.57578 8.50222 14.1251 13.0315 9.82987 11.8139 numMergedOcc 0
64 mol 25 unq 25 iso 0 dist 7.17969 7.55264 6.08585 4.33106 7.57578 8.50222 8.41421 11.971 9.40732 6.28979 numMergedOcc 0
65 mol 25 unq 26 iso 0 dist 7.17969 7.55264 6.08585 4.33106 7.57578 8.50222 5.68041 9.48085 6.53269 5.18617 numMergedOcc 0
66 mol 58 unq 0 iso 0 dist 6.86465 9.92355 5.78774 5.30792 6.62496 5.93884 6.57389 10.2845 9.53438 4.23671 numMergedOcc 0
67 mol 58 unq 1 iso 0 dist 6.86465 9.92355 5.78774 5.35073 6.35756 7.68678 6.57389 10.2845 9.53438 5.6823 numMergedOcc 0
68 mol 58 unq 2 iso 0 dist 6.62496 5.93884 5.78774 5.30792 6.86465 9.92355 4.23671 10.2845 9.53438 6.57389 numMergedOcc 0
69 mol 58 unq 3 iso 0 dist 6.62496 5.93884 5.78774 4.81926 6.35756 7.68678 4.23671 10.2845 9.53438 5.6823 numMergedOcc 0
70 mol 58 unq 4 iso 0 dist 6.35756 7.68678 5.78774 5.35073 6.86465 9.92355 5.6823 10.2845 9.53438 6.57389 numMergedOcc 0
71 mol 58 unq 5 iso 0 dist 6.35756 7.68678 5.78774 4.81926 6.62496 5.93884 5.6823 10.2845 9.53438 4.23671 numMergedOcc 0
72 mol 100 unq 0 iso 0 dist 9.60661 7.01812 5.80144 5.88134 6.65086 8.30845 4.03277 8.91882 6.59691 6.23008 numMergedOcc 0
73 mol 100 unq 1 iso 0 dist 7.17106 7.01812 8.4128 5.88134 10.5134 8.30845 4.03277 10.5432 6.59691 6.23008 numMergedOcc 0
74 mol 100 unq 2 iso 0 dist 9.35224 7.01812 10.0456 5.88134 6.56369 8.30845 4.03277 11.5088 6.59691 6.23008 numMergedOcc 0
75 mol 100 unq 3 iso 0 dist 7.47343 8.30845 12.2861 5.88134 12.0662 7.01812 6.23008 9.76432 6.59691 4.03277 numMergedOcc 0
76 mol 100 unq 4 iso 0 dist 6.65086 8.30845 5.80144 5.88134 9.60661 7.01812 6.23008 8.91882 6.59691 4.03277 numMergedOcc 0
77 mol 100 unq 5 iso 0 dist 6.56369 8.30845 10.0456 5.88134 9.35224 7.01812 6.23008 11.5088 6.59691 4.03277 numMergedOcc 0
78 mol 100 unq 6 iso 0 dist 9.30209 8.30845 6.70236 5.88134 10.5853 7.01812 6.23008 11.6812 6.59691 4.03277 numMergedOcc 0
79 mol 133 unq 0 iso 0 dist 6.29155 6.16242 4.54648 7.81217 6.80239 5.87634 13.0405 8.77023 8.83732 13.7612 numMergedOcc 0
80 mol 133 unq 1 iso 0 dist 6.80239 5.87634 4.54648 7.81217 6.29155 6.16242 13.7612 8.77023 8.83732 13.0405 numMergedOcc 0
81 mol 134 unq 0 iso 0 dist 9.89303 7.69991 4.60632 5.00526 9.93925 6.23142 12.847 13.0242 9.0176 8.06642 numMergedOcc 0
82 mol 134 unq 1 iso 0 dist 9.89303 7.69991 4.60632 11.3271 14.423 9.94764 12.847 13.0242 9.0176 4.00092 numMergedOcc 0
83 mol 134 unq 2 iso 0 dist 6.54501 7.69991 5.71679 5.00526 6.49416 6.23142 12.847 11.988 9.0176 8.06642 numMergedOcc 0
84 mol 134 unq 3 iso 0 dist 6.54501 7.69991 5.71679 11.3271 12.5075 9.94764 12.847 11.988 9.0176 4.00092 numMergedOcc 0
85 mol 134 unq 4 iso 0 dist 8.94367 6.23142 4.57832 5.00526 11.9139 7.69991 8.06642 7.21868 9.0176 12.847 numMergedOcc 0
86 mol 134 unq 5 iso 0 dist 8.94367 6.23142 4.57832 6.81259 9.86662 9.94764 8.06642 7.21868 9.0176 4.00092 numMergedOcc 0
87 mol 134 unq 6 iso 0 dist 6.37586 6.23142 5.29786 5.00526 9.5126 7.69991 8.06642 7.93372 9.0176 12.847 numMergedOcc 0
88 mol 134 unq 7 iso 0 dist 6.37586 6.23142 5.29786 6.81259 9.71307 9.94764 8.06642 7.93372 9.0176 4.00092 numMergedOcc 0
89 mol 134 unq 8 iso 0 dist 6.49416 6.23142 5.71679 5.00526 6.54501 7.69991 8.06642 11.988 9.0176 12.847 numMergedOcc 0
90 mol 134 unq 9 iso 0 dist 6.49416 6.23142 5.71679 6.81259 12.5075 9.94764 8.06642 11.988 9.0176 4.00092 numMergedOcc 0
91 mol 134 unq 10 iso 0 dist 9.86662 9.94764 4.57832 11.3271 11.9139 7.69991 4.00092 7.21868 9.0176 12.847 numMergedOcc 0
92 mol 134 unq 11 iso 0 dist 9.86662 9.94764 4.57832 6.81259 8.94367 6.23142 4.00092 7.21868 9.0176 8.06642 numMergedOcc 0
93 mol 134 unq 12 iso 0 dist 9.71307 9.94764 5.29786 11.3271 9.5126 7.69991 4.00092 7.93372 9.0176 12.847 numMergedOcc 0
94 mol 134 unq 13 iso 0 dist 9.71307 9.94764 5.29786 6.81259 6.37586 6.23142 4.00092 7.93372 9.0176 8.06642 numMergedOcc 0
95 mol 170 unq 0 iso 0 dist 9.76807 6.35982 4.34698 6.52462 12.8696 9.10511 4.78249 9.51256 6.47164 4.12764 numMergedOcc 0
96 mol 181 unq 0 iso 0 dist 7.81386 9.39829 7.20191 8.85576 7.63312 6.41453 5.71898 9.01624 5.99437 5.93724 numMergedOcc 0
97 mol 181 unq 1 iso 0 dist 7.81386 9.39829 7.20191 8.85576 7.63312 6.41453 5.83796 9.55105 8.4848 5.12833 numMergedOcc 0
98 mol 181 unq 2 iso 0 dist 7.63312 6.41453 7.20191 8.85576 7.81386 9.39829 5.93724 9.01624 5.99437 5.71898 numMergedOcc 0
99 mol 181 unq 3 iso 0 dist 7.63312 6.41453 7.20191 8.85576 7.81386 9.39829 5.12833 9.55105 8.4848 5.83796 numMergedOcc 0
100 mol 186 unq 0 iso 0 dist 7.54065 8.73217 11.7429 14.5862 16.3985 7.76163 10.8286 17.8564 9.99396 14.106 numMergedOcc 0
101 mol 227 unq 0 iso 0 dist 9.34734 7.43071 6.00424 4.39704 10.4905 6.02296 5.0317 10.7855 9.18728 5.83175 numMergedOcc 0
102 mol 227 unq 1 iso 0 dist 7.22101 7.43071 6.35849 4.39704 7.09863 6.02296 5.0317 5.23634 9.18728 5.83175 numMergedOcc 0
103 mol 227 unq 2 iso 0 dist 8.65997 7.43071 10.204 4.39704 10.8157 6.02296 5.0317 6.91318 9.18728 5.83175 numMergedOcc 0
104 mol 227 unq 3 iso 0 dist 7.56888 7.43071 9.76735 4.39704 11.0431 6.02296 5.0317 11.2661 9.18728 5.83175 numMergedOcc 0
105 mol 227 unq 4 iso 0 dist 7.55216 7.43071 9.32448 4.39704 10.0334 6.02296 5.0317 12.3663 9.18728 5.83175 numMergedOcc 0
106 mol 227 unq 5 iso 0 dist 7.09863 6.02296 6.35849 4.39704 7.22101 7.43071 5.83175 5.23634 9.18728 5.0317 numMergedOcc 0
107 mol 232 unq 0 iso 0 dist 8.27212 9.40808 4.9377 6.56633 10.5803 8.50102 5.10213 6.71524 9.9183 9.74344 numMergedOcc 0
108 mol 274 unq 0 iso 0 dist 7.56915 8.52587 5.29529 11.3308 11.3168 6.39866 16.9539 12.8334 8.60027 8.87855 numMergedOcc 0
