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 10.6338 11.7498 10.1154 11.3543 8.85174 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 11.0958 10.2656 5.30082 5.05803 6.42835 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 11.6856 10.2656 6.51133 4.7319 7.65889 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 11.6856 16.4761 6.51133 4.7319 7.65889 numMergedOcc 0
4 mol 16 unq 3 iso 0 dist 6.31718 6.93532 10.4366 10.4852 15.8605 6.72833 5.01101 11.0298 5.94982 6.86055 5.05803 6.92781 5.30082 11.0958 6.42835 numMergedOcc 0
5 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 11.0194 11.4989 5.11617 5.54419 5.68215 numMergedOcc 0
6 mol 24 unq 1 iso 0 dist 6.86014 7.29868 8.52463 10.0952 8.86116 8.60554 8.91183 12.5088 6.61696 14.8647 11.0194 11.4989 5.11617 13.2433 5.68215 numMergedOcc 0
7 mol 24 unq 2 iso 0 dist 8.86116 8.60554 8.52463 14.6259 15.5324 8.4051 14.8647 12.5088 6.61696 10.1698 13.2433 11.4989 5.11617 5.54419 5.68215 numMergedOcc 0
8 mol 24 unq 3 iso 0 dist 8.86116 8.60554 8.52463 10.0952 6.86014 7.29868 14.8647 12.5088 6.61696 8.91183 13.2433 11.4989 5.11617 11.0194 5.68215 numMergedOcc 0
9 mol 24 unq 4 iso 0 dist 8.86116 9.44691 13.4893 14.6259 15.5324 8.75662 14.4081 17.9275 9.586 5.50396 15.5296 19.2131 6.7828 7.36323 7.27472 numMergedOcc 0
10 mol 24 unq 5 iso 0 dist 8.38394 8.60554 12.3994 14.6259 17.8264 8.4051 14.8647 17.9146 6.61696 10.1698 13.2433 15.4364 5.11617 5.54419 5.68215 numMergedOcc 0
11 mol 24 unq 6 iso 0 dist 8.38394 8.60554 12.3994 14.6259 17.8264 8.4051 5.11636 10.9819 5.80953 13.6174 8.86116 6.44287 8.52463 15.5324 7.95042 numMergedOcc 0
12 mol 24 unq 7 iso 0 dist 8.38394 8.60554 12.3994 10.0952 12.5077 7.29868 14.8647 17.9146 6.61696 8.91183 13.2433 15.4364 5.11617 11.0194 5.68215 numMergedOcc 0
13 mol 24 unq 8 iso 0 dist 8.38394 8.60554 12.3994 10.0952 12.5077 7.29868 5.11636 10.9819 5.80953 5.69214 8.86116 6.44287 8.52463 6.86014 7.95042 numMergedOcc 0
14 mol 24 unq 9 iso 0 dist 8.38394 9.44691 12.505 14.6259 17.8264 8.75662 14.4081 19.8965 9.586 5.50396 15.5296 19.1123 6.7828 7.36323 7.27472 numMergedOcc 0
15 mol 24 unq 10 iso 0 dist 5.54419 8.4051 5.11617 15.5315 11.0194 7.29868 13.6174 10.9113 5.80953 5.69214 15.5324 11.4989 8.52463 6.86014 7.95042 numMergedOcc 0
16 mol 24 unq 11 iso 0 dist 5.54419 8.4051 5.11617 14.6259 13.2433 8.60554 13.6174 10.9113 5.80953 5.11636 15.5324 11.4989 8.52463 8.86116 7.95042 numMergedOcc 0
17 mol 24 unq 12 iso 0 dist 5.54419 8.75662 10.8238 14.6259 13.2433 9.44691 5.50396 9.33482 9.586 14.4081 7.36323 12.3067 6.7828 15.5296 7.27472 numMergedOcc 0
18 mol 24 unq 13 iso 0 dist 7.36323 8.4051 13.2229 15.5315 20.3888 7.29868 10.1698 17.003 6.61696 8.91183 5.54419 12.3067 5.11617 11.0194 5.68215 numMergedOcc 0
19 mol 24 unq 14 iso 0 dist 7.36323 8.4051 13.2229 15.5315 20.3888 7.29868 13.6174 16.707 5.80953 5.69214 15.5324 19.2131 8.52463 6.86014 7.95042 numMergedOcc 0
20 mol 24 unq 15 iso 0 dist 7.36323 8.4051 13.2229 14.6259 15.5296 8.60554 10.1698 17.003 6.61696 14.8647 5.54419 12.3067 5.11617 13.2433 5.68215 numMergedOcc 0
21 mol 24 unq 16 iso 0 dist 7.36323 8.4051 13.2229 14.6259 15.5296 8.60554 13.6174 16.707 5.80953 5.11636 15.5324 19.2131 8.52463 8.86116 7.95042 numMergedOcc 0
22 mol 25 unq 0 iso 0 dist 5.04899 8.87757 5.77929 15.5644 12.7009 8.50222 13.6145 9.49421 6.53269 5.18617 11.9561 10.9391 6.08585 7.57578 9.48085 numMergedOcc 0
23 mol 25 unq 1 iso 0 dist 5.04899 8.87757 5.77929 16.1048 12.8117 7.55264 13.6145 9.49421 6.53269 5.68041 11.9561 10.9391 6.08585 7.17969 9.48085 numMergedOcc 0
24 mol 25 unq 2 iso 0 dist 7.57578 6.16347 9.34396 10.9391 12.7009 7.45383 5.63212 10.9703 5.20109 6.47509 11.9561 15.5644 7.33728 5.04899 7.05196 numMergedOcc 0
25 mol 25 unq 3 iso 0 dist 7.57578 8.50222 6.08585 15.5644 11.9561 8.87757 13.2447 11.037 9.16515 4.69295 12.7009 10.9391 5.77929 5.04899 6.55597 numMergedOcc 0
26 mol 25 unq 4 iso 0 dist 7.57578 8.50222 6.08585 15.5644 11.9561 8.87757 11.8139 13.0315 9.82987 8.79309 12.7009 10.9391 5.77929 5.04899 7.07751 numMergedOcc 0
27 mol 25 unq 5 iso 0 dist 7.57578 8.50222 6.08585 15.5644 11.9561 8.87757 5.18617 9.48085 6.53269 13.6145 12.7009 10.9391 5.77929 5.04899 9.49421 numMergedOcc 0
28 mol 25 unq 6 iso 0 dist 7.57578 8.50222 6.08585 4.33106 7.17969 7.55264 13.2447 11.037 9.16515 14.9982 12.7009 10.9391 5.77929 12.8117 6.55597 numMergedOcc 0
29 mol 25 unq 7 iso 0 dist 7.57578 8.50222 6.08585 4.33106 7.17969 7.55264 11.8139 13.0315 9.82987 14.1251 12.7009 10.9391 5.77929 12.8117 7.07751 numMergedOcc 0
30 mol 25 unq 8 iso 0 dist 7.57578 8.50222 6.08585 4.33106 7.17969 7.55264 5.18617 9.48085 6.53269 5.68041 12.7009 10.9391 5.77929 12.8117 9.49421 numMergedOcc 0
31 mol 25 unq 9 iso 0 dist 7.17969 6.16347 10.8498 10.9391 12.8117 7.45383 5.63212 10.3338 5.20109 6.47509 11.9561 16.1048 7.33728 5.04899 7.05196 numMergedOcc 0
32 mol 25 unq 10 iso 0 dist 7.17969 7.55264 6.08585 16.1048 11.9561 8.87757 14.9982 11.037 9.16515 4.69295 12.8117 10.9391 5.77929 5.04899 6.55597 numMergedOcc 0
33 mol 25 unq 11 iso 0 dist 7.17969 7.55264 6.08585 16.1048 11.9561 8.87757 14.1251 13.0315 9.82987 8.79309 12.8117 10.9391 5.77929 5.04899 7.07751 numMergedOcc 0
34 mol 25 unq 12 iso 0 dist 7.17969 7.55264 6.08585 16.1048 11.9561 8.87757 5.68041 9.48085 6.53269 13.6145 12.8117 10.9391 5.77929 5.04899 9.49421 numMergedOcc 0
35 mol 25 unq 13 iso 0 dist 7.17969 7.55264 6.08585 4.33106 7.57578 8.50222 14.9982 11.037 9.16515 13.2447 12.8117 10.9391 5.77929 12.7009 6.55597 numMergedOcc 0
36 mol 25 unq 14 iso 0 dist 7.17969 7.55264 6.08585 4.33106 7.57578 8.50222 14.1251 13.0315 9.82987 11.8139 12.8117 10.9391 5.77929 12.7009 7.07751 numMergedOcc 0
37 mol 25 unq 15 iso 0 dist 7.17969 7.55264 6.08585 4.33106 7.57578 8.50222 5.68041 9.48085 6.53269 5.18617 12.8117 10.9391 5.77929 12.7009 9.49421 numMergedOcc 0
38 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 10.1489 10.8375 5.42531 13.2001 9.21662 numMergedOcc 0
39 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 9.60661 11.5403 5.80144 6.65086 8.91882 numMergedOcc 0
40 mol 100 unq 2 iso 0 dist 7.17106 7.01812 8.4128 5.88134 10.5134 8.30845 4.03277 10.5432 6.59691 6.23008 10.1489 10.8586 5.42531 13.2001 9.21662 numMergedOcc 0
41 mol 100 unq 3 iso 0 dist 9.35224 7.01812 10.0456 5.88134 6.56369 8.30845 4.03277 11.5088 6.59691 6.23008 9.60661 7.80879 5.80144 6.65086 8.91882 numMergedOcc 0
42 mol 100 unq 4 iso 0 dist 9.35224 7.01812 10.0456 5.88134 6.56369 8.30845 4.03277 11.5088 6.59691 6.23008 10.1489 15.1999 5.42531 13.2001 9.21662 numMergedOcc 0
43 mol 100 unq 5 iso 0 dist 7.47343 8.30845 12.2861 5.88134 12.0662 7.01812 6.23008 9.76432 6.59691 4.03277 6.65086 8.8807 5.80144 9.60661 8.91882 numMergedOcc 0
44 mol 100 unq 6 iso 0 dist 7.47343 8.30845 12.2861 5.88134 12.0662 7.01812 6.23008 9.76432 6.59691 4.03277 13.2001 16.3949 5.42531 10.1489 9.21662 numMergedOcc 0
45 mol 100 unq 7 iso 0 dist 6.65086 8.30845 5.80144 5.88134 9.60661 7.01812 6.23008 8.91882 6.59691 4.03277 13.2001 10.8375 5.42531 10.1489 9.21662 numMergedOcc 0
46 mol 100 unq 8 iso 0 dist 6.56369 8.30845 10.0456 5.88134 9.35224 7.01812 6.23008 11.5088 6.59691 4.03277 6.65086 7.80879 5.80144 9.60661 8.91882 numMergedOcc 0
47 mol 100 unq 9 iso 0 dist 6.56369 8.30845 10.0456 5.88134 9.35224 7.01812 6.23008 11.5088 6.59691 4.03277 13.2001 15.1999 5.42531 10.1489 9.21662 numMergedOcc 0
48 mol 100 unq 10 iso 0 dist 9.30209 8.30845 6.70236 5.88134 10.5853 7.01812 6.23008 11.6812 6.59691 4.03277 6.65086 5.38414 5.80144 9.60661 8.91882 numMergedOcc 0
49 mol 100 unq 11 iso 0 dist 9.30209 8.30845 6.70236 5.88134 10.5853 7.01812 6.23008 11.6812 6.59691 4.03277 13.2001 11.2306 5.42531 10.1489 9.21662 numMergedOcc 0
50 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 13.8307 9.51251 7.1797 11.7385 9.66543 numMergedOcc 0
51 mol 134 unq 1 iso 0 dist 9.89303 7.69991 4.60632 5.00526 9.93925 6.23142 12.847 13.0242 9.0176 8.06642 11.9139 6.86927 4.57832 8.94367 7.21868 numMergedOcc 0
52 mol 134 unq 2 iso 0 dist 9.89303 7.69991 4.60632 5.00526 9.93925 6.23142 12.847 13.0242 9.0176 8.06642 9.5126 7.11631 5.29786 6.37586 7.93372 numMergedOcc 0
53 mol 134 unq 3 iso 0 dist 9.89303 7.69991 4.60632 11.3271 14.423 9.94764 12.847 13.0242 9.0176 4.00092 13.8307 9.51251 7.1797 11.3835 9.66543 numMergedOcc 0
54 mol 134 unq 4 iso 0 dist 9.89303 7.69991 4.60632 11.3271 14.423 9.94764 12.847 13.0242 9.0176 4.00092 11.9139 6.86927 4.57832 9.86662 7.21868 numMergedOcc 0
55 mol 134 unq 5 iso 0 dist 9.89303 7.69991 4.60632 11.3271 14.423 9.94764 12.847 13.0242 9.0176 4.00092 9.5126 7.11631 5.29786 9.71307 7.93372 numMergedOcc 0
56 mol 134 unq 6 iso 0 dist 6.54501 7.69991 5.71679 5.00526 6.49416 6.23142 12.847 11.988 9.0176 8.06642 13.8307 12.8168 7.1797 11.7385 9.66543 numMergedOcc 0
57 mol 134 unq 7 iso 0 dist 6.54501 7.69991 5.71679 5.00526 6.49416 6.23142 12.847 11.988 9.0176 8.06642 11.9139 8.80819 4.57832 8.94367 7.21868 numMergedOcc 0
58 mol 134 unq 8 iso 0 dist 6.54501 7.69991 5.71679 5.00526 6.49416 6.23142 12.847 11.988 9.0176 8.06642 9.5126 5.00817 5.29786 6.37586 7.93372 numMergedOcc 0
59 mol 134 unq 9 iso 0 dist 6.54501 7.69991 5.71679 11.3271 12.5075 9.94764 12.847 11.988 9.0176 4.00092 13.8307 12.8168 7.1797 11.3835 9.66543 numMergedOcc 0
60 mol 134 unq 10 iso 0 dist 6.54501 7.69991 5.71679 11.3271 12.5075 9.94764 12.847 11.988 9.0176 4.00092 11.9139 8.80819 4.57832 9.86662 7.21868 numMergedOcc 0
61 mol 134 unq 11 iso 0 dist 6.54501 7.69991 5.71679 11.3271 12.5075 9.94764 12.847 11.988 9.0176 4.00092 9.5126 5.00817 5.29786 9.71307 7.93372 numMergedOcc 0
62 mol 134 unq 12 iso 0 dist 8.94367 6.23142 4.57832 5.00526 11.9139 7.69991 8.06642 7.21868 9.0176 12.847 11.7385 5.62899 7.1797 13.8307 9.66543 numMergedOcc 0
63 mol 134 unq 13 iso 0 dist 8.94367 6.23142 4.57832 5.00526 11.9139 7.69991 8.06642 7.21868 9.0176 12.847 6.37586 5.49782 5.29786 9.5126 7.93372 numMergedOcc 0
64 mol 134 unq 14 iso 0 dist 8.94367 6.23142 4.57832 6.81259 9.86662 9.94764 8.06642 7.21868 9.0176 4.00092 11.7385 5.62899 7.1797 11.3835 9.66543 numMergedOcc 0
65 mol 134 unq 15 iso 0 dist 8.94367 6.23142 4.57832 6.81259 9.86662 9.94764 8.06642 7.21868 9.0176 4.00092 6.37586 5.49782 5.29786 9.71307 7.93372 numMergedOcc 0
66 mol 134 unq 16 iso 0 dist 6.37586 6.23142 5.29786 5.00526 9.5126 7.69991 8.06642 7.93372 9.0176 12.847 11.7385 10.7144 7.1797 13.8307 9.66543 numMergedOcc 0
67 mol 134 unq 17 iso 0 dist 6.37586 6.23142 5.29786 5.00526 9.5126 7.69991 8.06642 7.93372 9.0176 12.847 8.94367 5.49782 4.57832 11.9139 7.21868 numMergedOcc 0
68 mol 134 unq 18 iso 0 dist 6.37586 6.23142 5.29786 6.81259 9.71307 9.94764 8.06642 7.93372 9.0176 4.00092 11.7385 10.7144 7.1797 11.3835 9.66543 numMergedOcc 0
69 mol 134 unq 19 iso 0 dist 6.37586 6.23142 5.29786 6.81259 9.71307 9.94764 8.06642 7.93372 9.0176 4.00092 8.94367 5.49782 4.57832 9.86662 7.21868 numMergedOcc 0
70 mol 134 unq 20 iso 0 dist 6.49416 6.23142 5.71679 5.00526 6.54501 7.69991 8.06642 11.988 9.0176 12.847 11.7385 12.8168 7.1797 13.8307 9.66543 numMergedOcc 0
71 mol 134 unq 21 iso 0 dist 6.49416 6.23142 5.71679 5.00526 6.54501 7.69991 8.06642 11.988 9.0176 12.847 8.94367 8.80819 4.57832 11.9139 7.21868 numMergedOcc 0
72 mol 134 unq 22 iso 0 dist 6.49416 6.23142 5.71679 5.00526 6.54501 7.69991 8.06642 11.988 9.0176 12.847 6.37586 5.00817 5.29786 9.5126 7.93372 numMergedOcc 0
73 mol 134 unq 23 iso 0 dist 6.49416 6.23142 5.71679 6.81259 12.5075 9.94764 8.06642 11.988 9.0176 4.00092 11.7385 12.8168 7.1797 11.3835 9.66543 numMergedOcc 0
74 mol 134 unq 24 iso 0 dist 6.49416 6.23142 5.71679 6.81259 12.5075 9.94764 8.06642 11.988 9.0176 4.00092 8.94367 8.80819 4.57832 9.86662 7.21868 numMergedOcc 0
75 mol 134 unq 25 iso 0 dist 6.49416 6.23142 5.71679 6.81259 12.5075 9.94764 8.06642 11.988 9.0176 4.00092 6.37586 5.00817 5.29786 9.71307 7.93372 numMergedOcc 0
76 mol 134 unq 26 iso 0 dist 9.86662 9.94764 4.57832 11.3271 11.9139 7.69991 4.00092 7.21868 9.0176 12.847 11.3835 5.62899 7.1797 13.8307 9.66543 numMergedOcc 0
77 mol 134 unq 27 iso 0 dist 9.86662 9.94764 4.57832 11.3271 11.9139 7.69991 4.00092 7.21868 9.0176 12.847 9.71307 5.49782 5.29786 9.5126 7.93372 numMergedOcc 0
78 mol 134 unq 28 iso 0 dist 9.86662 9.94764 4.57832 6.81259 8.94367 6.23142 4.00092 7.21868 9.0176 8.06642 11.3835 5.62899 7.1797 11.7385 9.66543 numMergedOcc 0
79 mol 134 unq 29 iso 0 dist 9.86662 9.94764 4.57832 6.81259 8.94367 6.23142 4.00092 7.21868 9.0176 8.06642 9.71307 5.49782 5.29786 6.37586 7.93372 numMergedOcc 0
80 mol 134 unq 30 iso 0 dist 9.71307 9.94764 5.29786 11.3271 9.5126 7.69991 4.00092 7.93372 9.0176 12.847 11.3835 10.7144 7.1797 13.8307 9.66543 numMergedOcc 0
81 mol 134 unq 31 iso 0 dist 9.71307 9.94764 5.29786 11.3271 9.5126 7.69991 4.00092 7.93372 9.0176 12.847 9.86662 5.49782 4.57832 11.9139 7.21868 numMergedOcc 0
82 mol 134 unq 32 iso 0 dist 9.71307 9.94764 5.29786 6.81259 6.37586 6.23142 4.00092 7.93372 9.0176 8.06642 11.3835 10.7144 7.1797 11.7385 9.66543 numMergedOcc 0
83 mol 134 unq 33 iso 0 dist 9.71307 9.94764 5.29786 6.81259 6.37586 6.23142 4.00092 7.93372 9.0176 8.06642 9.86662 5.49782 4.57832 8.94367 7.21868 numMergedOcc 0
84 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 12.8281 8.56034 9.275 11.8841 9.08274 numMergedOcc 0
85 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 9.81747 11.5866 5.48529 9.11469 5.05973 numMergedOcc 0
86 mol 181 unq 1 iso 0 dist 7.63312 6.41453 7.20191 8.85576 7.81386 9.39829 5.93724 9.01624 5.99437 5.71898 9.11469 11.5866 5.48529 9.81747 5.05973 numMergedOcc 0
87 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 7.22101 6.99063 6.35849 7.09863 5.23634 numMergedOcc 0
88 mol 227 unq 1 iso 0 dist 9.34734 7.43071 6.00424 4.39704 10.4905 6.02296 5.0317 10.7855 9.18728 5.83175 8.65997 7.60506 10.204 10.8157 6.91318 numMergedOcc 0
89 mol 227 unq 2 iso 0 dist 7.22101 7.43071 6.35849 4.39704 7.09863 6.02296 5.0317 5.23634 9.18728 5.83175 8.65997 5.22356 10.204 10.8157 6.91318 numMergedOcc 0
90 mol 227 unq 3 iso 0 dist 8.65997 7.43071 10.204 4.39704 10.8157 6.02296 5.0317 6.91318 9.18728 5.83175 7.22101 5.22356 6.35849 7.09863 5.23634 numMergedOcc 0
91 mol 227 unq 4 iso 0 dist 7.56888 7.43071 9.76735 4.39704 11.0431 6.02296 5.0317 11.2661 9.18728 5.83175 7.22101 10.8658 6.35849 7.09863 5.23634 numMergedOcc 0
92 mol 227 unq 5 iso 0 dist 7.56888 7.43071 9.76735 4.39704 11.0431 6.02296 5.0317 11.2661 9.18728 5.83175 8.65997 9.70012 10.204 10.8157 6.91318 numMergedOcc 0
93 mol 227 unq 6 iso 0 dist 7.55216 7.43071 9.32448 4.39704 10.0334 6.02296 5.0317 12.3663 9.18728 5.83175 7.22101 12.4689 6.35849 7.09863 5.23634 numMergedOcc 0
94 mol 227 unq 7 iso 0 dist 7.55216 7.43071 9.32448 4.39704 10.0334 6.02296 5.0317 12.3663 9.18728 5.83175 8.65997 12.9332 10.204 10.8157 6.91318 numMergedOcc 0
95 mol 227 unq 8 iso 0 dist 7.09863 6.02296 6.35849 4.39704 7.22101 7.43071 5.83175 5.23634 9.18728 5.0317 10.8157 5.22356 10.204 8.65997 6.91318 numMergedOcc 0
96 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 13.9359 9.15171 6.70925 10.7806 6.4611 numMergedOcc 0
