0 mol 15 unq 0 iso 0 dist 5.89412 11.0528 7.07399 6.91314 6.23015 5.49251 11.3543 10.1154 10.6338 8.85174 numMergedOcc 0
1 mol 15 unq 0 iso 1 dist 7.07399 11.0528 5.89412 5.49251 6.23015 6.91314 10.6338 10.1154 11.3543 8.85174 numMergedOcc 0
2 mol 16 unq 0 iso 0 dist 6.72833 10.4852 6.93532 6.86055 5.94982 5.01101 4.7319 6.51133 11.6856 7.65889 numMergedOcc 0
3 mol 16 unq 0 iso 1 dist 6.93532 10.4852 6.72833 5.01101 5.94982 6.86055 11.6856 6.51133 4.7319 7.65889 numMergedOcc 0
4 mol 16 unq 1 iso 0 dist 6.72833 10.4852 6.93532 6.86055 5.94982 5.01101 11.0958 5.30082 5.05803 6.42835 numMergedOcc 0
5 mol 16 unq 1 iso 1 dist 6.93532 10.4852 6.72833 5.01101 5.94982 6.86055 5.05803 5.30082 11.0958 6.42835 numMergedOcc 0
6 mol 24 unq 0 iso 0 dist 8.4051 15.5315 7.29868 10.1698 6.61696 8.91183 5.54419 5.11617 11.0194 5.68215 numMergedOcc 0
7 mol 24 unq 0 iso 1 dist 7.29868 15.5315 8.4051 8.91183 6.61696 10.1698 11.0194 5.11617 5.54419 5.68215 numMergedOcc 0
8 mol 24 unq 1 iso 0 dist 8.4051 15.5315 7.29868 13.6174 5.80953 5.69214 15.5324 8.52463 6.86014 7.95042 numMergedOcc 0
9 mol 24 unq 1 iso 1 dist 7.29868 15.5315 8.4051 5.69214 5.80953 13.6174 6.86014 8.52463 15.5324 7.95042 numMergedOcc 0
10 mol 24 unq 2 iso 0 dist 8.4051 14.6259 8.60554 10.1698 6.61696 14.8647 5.54419 5.11617 13.2433 5.68215 numMergedOcc 0
11 mol 24 unq 2 iso 1 dist 8.60554 14.6259 8.4051 14.8647 6.61696 10.1698 13.2433 5.11617 5.54419 5.68215 numMergedOcc 0
12 mol 24 unq 3 iso 0 dist 8.4051 14.6259 8.60554 13.6174 5.80953 5.11636 15.5324 8.52463 8.86116 7.95042 numMergedOcc 0
13 mol 24 unq 3 iso 1 dist 8.60554 14.6259 8.4051 5.11636 5.80953 13.6174 8.86116 8.52463 15.5324 7.95042 numMergedOcc 0
14 mol 24 unq 2 iso 0 dist 7.29868 10.0952 8.60554 8.91183 6.61696 14.8647 11.0194 5.11617 13.2433 5.68215 numMergedOcc 0
15 mol 24 unq 2 iso 1 dist 8.60554 10.0952 7.29868 14.8647 6.61696 8.91183 13.2433 5.11617 11.0194 5.68215 numMergedOcc 0
16 mol 24 unq 3 iso 0 dist 7.29868 10.0952 8.60554 5.69214 5.80953 5.11636 6.86014 8.52463 8.86116 7.95042 numMergedOcc 0
17 mol 24 unq 3 iso 1 dist 8.60554 10.0952 7.29868 5.11636 5.80953 5.69214 8.86116 8.52463 6.86014 7.95042 numMergedOcc 0
18 mol 24 unq 4 iso 0 dist 8.75662 14.6259 9.44691 5.50396 9.586 14.4081 7.36323 6.7828 15.5296 7.27472 numMergedOcc 0
19 mol 24 unq 4 iso 1 dist 9.44691 14.6259 8.75662 14.4081 9.586 5.50396 15.5296 6.7828 7.36323 7.27472 numMergedOcc 0
20 mol 25 unq 0 iso 0 dist 8.87757 15.5644 8.50222 4.69295 9.16515 13.2447 5.04899 5.77929 12.7009 6.55597 numMergedOcc 0
21 mol 25 unq 0 iso 1 dist 8.50222 15.5644 8.87757 13.2447 9.16515 4.69295 12.7009 5.77929 5.04899 6.55597 numMergedOcc 0
22 mol 25 unq 1 iso 0 dist 8.87757 15.5644 8.50222 8.79309 9.82987 11.8139 5.04899 5.77929 12.7009 7.07751 numMergedOcc 0
23 mol 25 unq 1 iso 1 dist 8.50222 15.5644 8.87757 11.8139 9.82987 8.79309 12.7009 5.77929 5.04899 7.07751 numMergedOcc 0
24 mol 25 unq 2 iso 0 dist 8.87757 15.5644 8.50222 13.6145 6.53269 5.18617 11.9561 6.08585 7.57578 9.48085 numMergedOcc 0
25 mol 25 unq 2 iso 1 dist 8.50222 15.5644 8.87757 5.18617 6.53269 13.6145 7.57578 6.08585 11.9561 9.48085 numMergedOcc 0
26 mol 25 unq 3 iso 0 dist 8.87757 15.5644 8.50222 13.6145 6.53269 5.18617 5.04899 5.77929 12.7009 9.49421 numMergedOcc 0
27 mol 25 unq 3 iso 1 dist 8.50222 15.5644 8.87757 5.18617 6.53269 13.6145 12.7009 5.77929 5.04899 9.49421 numMergedOcc 0
28 mol 25 unq 4 iso 0 dist 8.87757 16.1048 7.55264 4.69295 9.16515 14.9982 5.04899 5.77929 12.8117 6.55597 numMergedOcc 0
29 mol 25 unq 4 iso 1 dist 7.55264 16.1048 8.87757 14.9982 9.16515 4.69295 12.8117 5.77929 5.04899 6.55597 numMergedOcc 0
30 mol 25 unq 5 iso 0 dist 8.87757 16.1048 7.55264 8.79309 9.82987 14.1251 5.04899 5.77929 12.8117 7.07751 numMergedOcc 0
31 mol 25 unq 5 iso 1 dist 7.55264 16.1048 8.87757 14.1251 9.82987 8.79309 12.8117 5.77929 5.04899 7.07751 numMergedOcc 0
32 mol 25 unq 6 iso 0 dist 8.87757 16.1048 7.55264 13.6145 6.53269 5.68041 11.9561 6.08585 7.17969 9.48085 numMergedOcc 0
33 mol 25 unq 6 iso 1 dist 7.55264 16.1048 8.87757 5.68041 6.53269 13.6145 7.17969 6.08585 11.9561 9.48085 numMergedOcc 0
34 mol 25 unq 7 iso 0 dist 8.87757 16.1048 7.55264 13.6145 6.53269 5.68041 5.04899 5.77929 12.8117 9.49421 numMergedOcc 0
35 mol 25 unq 7 iso 1 dist 7.55264 16.1048 8.87757 5.68041 6.53269 13.6145 12.8117 5.77929 5.04899 9.49421 numMergedOcc 0
36 mol 25 unq 8 iso 0 dist 6.16347 10.9391 7.45383 5.63212 5.20109 6.47509 11.9561 7.33728 5.04899 7.05196 numMergedOcc 0
37 mol 25 unq 8 iso 1 dist 7.45383 10.9391 6.16347 6.47509 5.20109 5.63212 5.04899 7.33728 11.9561 7.05196 numMergedOcc 0
38 mol 25 unq 4 iso 0 dist 8.50222 4.33106 7.55264 13.2447 9.16515 14.9982 12.7009 5.77929 12.8117 6.55597 numMergedOcc 0
39 mol 25 unq 4 iso 1 dist 7.55264 4.33106 8.50222 14.9982 9.16515 13.2447 12.8117 5.77929 12.7009 6.55597 numMergedOcc 0
40 mol 25 unq 5 iso 0 dist 8.50222 4.33106 7.55264 11.8139 9.82987 14.1251 12.7009 5.77929 12.8117 7.07751 numMergedOcc 0
41 mol 25 unq 5 iso 1 dist 7.55264 4.33106 8.50222 14.1251 9.82987 11.8139 12.8117 5.77929 12.7009 7.07751 numMergedOcc 0
42 mol 25 unq 6 iso 0 dist 8.50222 4.33106 7.55264 5.18617 6.53269 5.68041 7.57578 6.08585 7.17969 9.48085 numMergedOcc 0
43 mol 25 unq 6 iso 1 dist 7.55264 4.33106 8.50222 5.68041 6.53269 5.18617 7.17969 6.08585 7.57578 9.48085 numMergedOcc 0
44 mol 25 unq 7 iso 0 dist 8.50222 4.33106 7.55264 5.18617 6.53269 5.68041 12.7009 5.77929 12.8117 9.49421 numMergedOcc 0
45 mol 25 unq 7 iso 1 dist 7.55264 4.33106 8.50222 5.68041 6.53269 5.18617 12.8117 5.77929 12.7009 9.49421 numMergedOcc 0
46 mol 100 unq 0 iso 0 dist 7.01812 5.88134 8.30845 4.03277 6.59691 6.23008 9.60661 5.80144 6.65086 8.91882 numMergedOcc 0
47 mol 100 unq 0 iso 1 dist 8.30845 5.88134 7.01812 6.23008 6.59691 4.03277 6.65086 5.80144 9.60661 8.91882 numMergedOcc 0
48 mol 100 unq 1 iso 0 dist 7.01812 5.88134 8.30845 4.03277 6.59691 6.23008 10.1489 5.42531 13.2001 9.21662 numMergedOcc 0
49 mol 100 unq 1 iso 1 dist 8.30845 5.88134 7.01812 6.23008 6.59691 4.03277 13.2001 5.42531 10.1489 9.21662 numMergedOcc 0
50 mol 133 unq 0 iso 0 dist 6.16242 7.81217 5.87634 13.0405 8.83732 13.7612 6.29155 4.54648 6.80239 8.77023 numMergedOcc 0
51 mol 133 unq 0 iso 1 dist 5.87634 7.81217 6.16242 13.7612 8.83732 13.0405 6.80239 4.54648 6.29155 8.77023 numMergedOcc 0
52 mol 134 unq 0 iso 0 dist 7.69991 5.00526 6.23142 12.847 9.0176 8.06642 13.8307 7.1797 11.7385 9.66543 numMergedOcc 0
53 mol 134 unq 0 iso 1 dist 6.23142 5.00526 7.69991 8.06642 9.0176 12.847 11.7385 7.1797 13.8307 9.66543 numMergedOcc 0
54 mol 134 unq 1 iso 0 dist 7.69991 5.00526 6.23142 12.847 9.0176 8.06642 11.9139 4.57832 8.94367 7.21868 numMergedOcc 0
55 mol 134 unq 1 iso 1 dist 6.23142 5.00526 7.69991 8.06642 9.0176 12.847 8.94367 4.57832 11.9139 7.21868 numMergedOcc 0
56 mol 134 unq 2 iso 0 dist 7.69991 5.00526 6.23142 12.847 9.0176 8.06642 9.5126 5.29786 6.37586 7.93372 numMergedOcc 0
57 mol 134 unq 2 iso 1 dist 6.23142 5.00526 7.69991 8.06642 9.0176 12.847 6.37586 5.29786 9.5126 7.93372 numMergedOcc 0
58 mol 134 unq 3 iso 0 dist 7.69991 11.3271 9.94764 12.847 9.0176 4.00092 13.8307 7.1797 11.3835 9.66543 numMergedOcc 0
59 mol 134 unq 3 iso 1 dist 9.94764 11.3271 7.69991 4.00092 9.0176 12.847 11.3835 7.1797 13.8307 9.66543 numMergedOcc 0
60 mol 134 unq 4 iso 0 dist 7.69991 11.3271 9.94764 12.847 9.0176 4.00092 11.9139 4.57832 9.86662 7.21868 numMergedOcc 0
61 mol 134 unq 4 iso 1 dist 9.94764 11.3271 7.69991 4.00092 9.0176 12.847 9.86662 4.57832 11.9139 7.21868 numMergedOcc 0
62 mol 134 unq 5 iso 0 dist 7.69991 11.3271 9.94764 12.847 9.0176 4.00092 9.5126 5.29786 9.71307 7.93372 numMergedOcc 0
63 mol 134 unq 5 iso 1 dist 9.94764 11.3271 7.69991 4.00092 9.0176 12.847 9.71307 5.29786 9.5126 7.93372 numMergedOcc 0
64 mol 134 unq 3 iso 0 dist 6.23142 6.81259 9.94764 8.06642 9.0176 4.00092 11.7385 7.1797 11.3835 9.66543 numMergedOcc 0
65 mol 134 unq 3 iso 1 dist 9.94764 6.81259 6.23142 4.00092 9.0176 8.06642 11.3835 7.1797 11.7385 9.66543 numMergedOcc 0
66 mol 134 unq 4 iso 0 dist 6.23142 6.81259 9.94764 8.06642 9.0176 4.00092 8.94367 4.57832 9.86662 7.21868 numMergedOcc 0
67 mol 134 unq 4 iso 1 dist 9.94764 6.81259 6.23142 4.00092 9.0176 8.06642 9.86662 4.57832 8.94367 7.21868 numMergedOcc 0
68 mol 134 unq 5 iso 0 dist 6.23142 6.81259 9.94764 8.06642 9.0176 4.00092 6.37586 5.29786 9.71307 7.93372 numMergedOcc 0
69 mol 134 unq 5 iso 1 dist 9.94764 6.81259 6.23142 4.00092 9.0176 8.06642 9.71307 5.29786 6.37586 7.93372 numMergedOcc 0
70 mol 155 unq 0 iso 0 dist 8.69157 7.01918 6.53347 12.6999 9.24038 7.10286 12.3052 6.89781 10.7829 8.97626 numMergedOcc 0
71 mol 155 unq 0 iso 1 dist 6.53347 7.01918 8.69157 7.10286 9.24038 12.6999 10.7829 6.89781 12.3052 8.97626 numMergedOcc 0
72 mol 170 unq 0 iso 0 dist 9.10511 6.52462 6.35982 4.12764 6.47164 4.78249 11.8841 9.275 12.8281 9.08274 numMergedOcc 0
73 mol 170 unq 0 iso 1 dist 6.35982 6.52462 9.10511 4.78249 6.47164 4.12764 12.8281 9.275 11.8841 9.08274 numMergedOcc 0
74 mol 170 unq 1 iso 0 dist 9.10511 6.52462 6.35982 4.12764 6.47164 4.78249 12.8696 4.34698 9.76807 9.51256 numMergedOcc 0
75 mol 170 unq 1 iso 1 dist 6.35982 6.52462 9.10511 4.78249 6.47164 4.12764 9.76807 4.34698 12.8696 9.51256 numMergedOcc 0
76 mol 181 unq 0 iso 0 dist 9.39829 8.85576 6.41453 5.71898 5.99437 5.93724 7.81386 7.20191 7.63312 9.01624 numMergedOcc 0
77 mol 181 unq 0 iso 1 dist 6.41453 8.85576 9.39829 5.93724 5.99437 5.71898 7.63312 7.20191 7.81386 9.01624 numMergedOcc 0
78 mol 181 unq 1 iso 0 dist 9.39829 8.85576 6.41453 5.71898 5.99437 5.93724 9.81747 5.48529 9.11469 5.05973 numMergedOcc 0
79 mol 181 unq 1 iso 1 dist 6.41453 8.85576 9.39829 5.93724 5.99437 5.71898 9.11469 5.48529 9.81747 5.05973 numMergedOcc 0
80 mol 181 unq 2 iso 0 dist 9.39829 8.85576 6.41453 5.83796 8.4848 5.12833 7.81386 7.20191 7.63312 9.55105 numMergedOcc 0
81 mol 181 unq 2 iso 1 dist 6.41453 8.85576 9.39829 5.12833 8.4848 5.83796 7.63312 7.20191 7.81386 9.55105 numMergedOcc 0
82 mol 227 unq 0 iso 0 dist 7.43071 4.39704 6.02296 5.0317 9.18728 5.83175 7.22101 6.35849 7.09863 5.23634 numMergedOcc 0
83 mol 227 unq 0 iso 1 dist 6.02296 4.39704 7.43071 5.83175 9.18728 5.0317 7.09863 6.35849 7.22101 5.23634 numMergedOcc 0
84 mol 227 unq 1 iso 0 dist 7.43071 4.39704 6.02296 5.0317 9.18728 5.83175 8.65997 10.204 10.8157 6.91318 numMergedOcc 0
85 mol 227 unq 1 iso 1 dist 6.02296 4.39704 7.43071 5.83175 9.18728 5.0317 10.8157 10.204 8.65997 6.91318 numMergedOcc 0
86 mol 232 unq 0 iso 0 dist 8.50102 6.56633 9.40808 9.74344 9.9183 5.10213 10.5803 4.9377 8.27212 6.71524 numMergedOcc 0
87 mol 232 unq 0 iso 1 dist 9.40808 6.56633 8.50102 5.10213 9.9183 9.74344 8.27212 4.9377 10.5803 6.71524 numMergedOcc 0
88 mol 273 unq 0 iso 0 dist 8.83865 5.96724 9.18157 8.56043 6.35532 8.81454 13.3579 4.60101 13.4294 9.59325 numMergedOcc 0
89 mol 273 unq 0 iso 1 dist 9.18157 5.96724 8.83865 8.81454 6.35532 8.56043 13.4294 4.60101 13.3579 9.59325 numMergedOcc 0
90 mol 274 unq 0 iso 0 dist 7.46394 10.501 9.45514 5.22914 7.77765 12.393 12.3938 9.5468 10.7806 9.30212 numMergedOcc 0
91 mol 274 unq 0 iso 1 dist 9.45514 10.501 7.46394 12.393 7.77765 5.22914 10.7806 9.5468 12.3938 9.30212 numMergedOcc 0
92 mol 274 unq 1 iso 0 dist 7.46394 10.501 9.45514 14.7507 9.65868 8.87855 12.3938 9.5468 10.7806 6.4611 numMergedOcc 0
93 mol 274 unq 1 iso 1 dist 9.45514 10.501 7.46394 8.87855 9.65868 14.7507 10.7806 9.5468 12.3938 6.4611 numMergedOcc 0
94 mol 274 unq 2 iso 0 dist 7.46394 14.3919 8.91672 5.22914 7.77765 16.5034 12.3938 9.5468 16.3286 9.30212 numMergedOcc 0
95 mol 274 unq 2 iso 1 dist 8.91672 14.3919 7.46394 16.5034 7.77765 5.22914 16.3286 9.5468 12.3938 9.30212 numMergedOcc 0
96 mol 274 unq 3 iso 0 dist 7.46394 14.3919 8.91672 14.7507 9.65868 12.5615 12.3938 9.5468 16.3286 6.4611 numMergedOcc 0
97 mol 274 unq 3 iso 1 dist 8.91672 14.3919 7.46394 12.5615 9.65868 14.7507 16.3286 9.5468 12.3938 6.4611 numMergedOcc 0
98 mol 274 unq 4 iso 0 dist 7.46394 6.15918 7.1729 5.22914 7.77765 10.2884 12.3938 9.5468 13.5896 9.30212 numMergedOcc 0
99 mol 274 unq 4 iso 1 dist 7.1729 6.15918 7.46394 10.2884 7.77765 5.22914 13.5896 9.5468 12.3938 9.30212 numMergedOcc 0
100 mol 274 unq 5 iso 0 dist 7.46394 6.15918 7.1729 14.7507 9.65868 13.0867 12.3938 9.5468 13.5896 6.4611 numMergedOcc 0
101 mol 274 unq 5 iso 1 dist 7.1729 6.15918 7.46394 13.0867 9.65868 14.7507 13.5896 9.5468 12.3938 6.4611 numMergedOcc 0
102 mol 274 unq 2 iso 0 dist 9.45514 11.7196 8.91672 12.393 7.77765 16.5034 10.7806 9.5468 16.3286 9.30212 numMergedOcc 0
103 mol 274 unq 2 iso 1 dist 8.91672 11.7196 9.45514 16.5034 7.77765 12.393 16.3286 9.5468 10.7806 9.30212 numMergedOcc 0
104 mol 274 unq 3 iso 0 dist 9.45514 11.7196 8.91672 8.87855 9.65868 12.5615 10.7806 9.5468 16.3286 6.4611 numMergedOcc 0
105 mol 274 unq 3 iso 1 dist 8.91672 11.7196 9.45514 12.5615 9.65868 8.87855 16.3286 9.5468 10.7806 6.4611 numMergedOcc 0
106 mol 274 unq 4 iso 0 dist 9.45514 6.828 7.1729 12.393 7.77765 10.2884 10.7806 9.5468 13.5896 9.30212 numMergedOcc 0
107 mol 274 unq 4 iso 1 dist 7.1729 6.828 9.45514 10.2884 7.77765 12.393 13.5896 9.5468 10.7806 9.30212 numMergedOcc 0
108 mol 274 unq 5 iso 0 dist 9.45514 6.828 7.1729 8.87855 9.65868 13.0867 10.7806 9.5468 13.5896 6.4611 numMergedOcc 0
109 mol 274 unq 5 iso 1 dist 7.1729 6.828 9.45514 13.0867 9.65868 8.87855 13.5896 9.5468 10.7806 6.4611 numMergedOcc 0
110 mol 274 unq 4 iso 0 dist 8.91672 10.0083 7.1729 16.5034 7.77765 10.2884 16.3286 9.5468 13.5896 9.30212 numMergedOcc 0
111 mol 274 unq 4 iso 1 dist 7.1729 10.0083 8.91672 10.2884 7.77765 16.5034 13.5896 9.5468 16.3286 9.30212 numMergedOcc 0
112 mol 274 unq 5 iso 0 dist 8.91672 10.0083 7.1729 12.5615 9.65868 13.0867 16.3286 9.5468 13.5896 6.4611 numMergedOcc 0
113 mol 274 unq 5 iso 1 dist 7.1729 10.0083 8.91672 13.0867 9.65868 12.5615 13.5896 9.5468 16.3286 6.4611 numMergedOcc 0
114 mol 274 unq 6 iso 0 dist 8.52587 11.3308 6.39866 16.9539 8.60027 8.87855 13.9359 6.70925 10.7806 6.4611 numMergedOcc 0
115 mol 274 unq 6 iso 1 dist 6.39866 11.3308 8.52587 8.87855 8.60027 16.9539 10.7806 6.70925 13.9359 6.4611 numMergedOcc 0
