0 mol 11 unq 0 iso 0 dist 5.96346 4.10106 6.859 4.61088 6.86684 6.54358 numMergedOcc 0
1 mol 15 unq 0 iso 0 dist 5.89412 6.91314 6.23015 11.3543 10.1154 8.85174 numMergedOcc 0
2 mol 15 unq 1 iso 0 dist 7.07399 5.49251 6.23015 10.6338 10.1154 8.85174 numMergedOcc 0
3 mol 16 unq 0 iso 0 dist 6.72833 6.86055 5.94982 4.7319 6.51133 7.65889 numMergedOcc 0
4 mol 16 unq 1 iso 0 dist 6.72833 6.86055 5.94982 11.0958 5.30082 6.42835 numMergedOcc 0
5 mol 16 unq 2 iso 0 dist 6.93532 5.01101 5.94982 11.6856 6.51133 7.65889 numMergedOcc 0
6 mol 16 unq 3 iso 0 dist 6.93532 5.01101 5.94982 5.05803 5.30082 6.42835 numMergedOcc 0
7 mol 24 unq 0 iso 0 dist 9.01567 8.91183 6.19899 11.0194 4.50066 5.68215 numMergedOcc 0
8 mol 24 unq 1 iso 0 dist 8.4051 10.1698 6.61696 5.54419 5.11617 5.68215 numMergedOcc 0
9 mol 24 unq 2 iso 0 dist 8.4051 13.6174 5.80953 15.5324 8.52463 7.95042 numMergedOcc 0
10 mol 24 unq 3 iso 0 dist 7.29868 8.91183 6.61696 11.0194 5.11617 5.68215 numMergedOcc 0
11 mol 24 unq 4 iso 0 dist 7.29868 5.69214 5.80953 6.86014 8.52463 7.95042 numMergedOcc 0
12 mol 24 unq 5 iso 0 dist 8.60554 14.8647 6.61696 13.2433 5.11617 5.68215 numMergedOcc 0
13 mol 24 unq 6 iso 0 dist 8.60554 5.11636 5.80953 8.86116 8.52463 7.95042 numMergedOcc 0
14 mol 24 unq 7 iso 0 dist 8.23446 6.28159 4.5711 7.36323 6.38336 8.87744 numMergedOcc 0
15 mol 24 unq 8 iso 0 dist 8.23446 5.50396 4.44526 7.36323 6.38336 7.27472 numMergedOcc 0
16 mol 24 unq 9 iso 0 dist 8.75662 5.50396 9.586 7.36323 6.7828 7.27472 numMergedOcc 0
17 mol 24 unq 10 iso 0 dist 9.44691 14.4081 9.586 15.5296 6.7828 7.27472 numMergedOcc 0
18 mol 25 unq 0 iso 0 dist 8.87757 4.69295 9.16515 5.04899 5.77929 6.55597 numMergedOcc 0
19 mol 25 unq 1 iso 0 dist 8.87757 8.79309 9.82987 5.04899 5.77929 7.07751 numMergedOcc 0
20 mol 25 unq 2 iso 0 dist 8.87757 13.6145 6.53269 11.9561 6.08585 9.48085 numMergedOcc 0
21 mol 25 unq 3 iso 0 dist 8.87757 13.6145 6.53269 5.04899 5.77929 9.49421 numMergedOcc 0
22 mol 25 unq 4 iso 0 dist 6.16347 5.63212 5.20109 11.9561 7.33728 7.05196 numMergedOcc 0
23 mol 25 unq 5 iso 0 dist 7.45383 6.47509 5.20109 5.04899 7.33728 7.05196 numMergedOcc 0
24 mol 25 unq 6 iso 0 dist 8.50222 13.2447 9.16515 12.7009 5.77929 6.55597 numMergedOcc 0
25 mol 25 unq 7 iso 0 dist 8.50222 11.8139 9.82987 12.7009 5.77929 7.07751 numMergedOcc 0
26 mol 25 unq 8 iso 0 dist 8.50222 5.18617 6.53269 7.57578 6.08585 9.48085 numMergedOcc 0
27 mol 25 unq 9 iso 0 dist 8.50222 5.18617 6.53269 12.7009 5.77929 9.49421 numMergedOcc 0
28 mol 25 unq 10 iso 0 dist 7.55264 14.9982 9.16515 12.8117 5.77929 6.55597 numMergedOcc 0
29 mol 25 unq 11 iso 0 dist 7.55264 14.1251 9.82987 12.8117 5.77929 7.07751 numMergedOcc 0
30 mol 25 unq 12 iso 0 dist 7.55264 5.68041 6.53269 7.17969 6.08585 9.48085 numMergedOcc 0
31 mol 25 unq 13 iso 0 dist 7.55264 5.68041 6.53269 12.8117 5.77929 9.49421 numMergedOcc 0
32 mol 25 unq 14 iso 0 dist 6.85556 5.86705 6.29797 6.03987 5.68392 7.6114 numMergedOcc 0
33 mol 58 unq 0 iso 0 dist 8.80614 9.87158 9.01564 6.62496 9.95364 9.22598 numMergedOcc 0
34 mol 58 unq 1 iso 0 dist 8.80614 9.87158 9.01564 6.35756 5.49591 8.96727 numMergedOcc 0
35 mol 58 unq 2 iso 0 dist 8.80614 5.86526 7.11065 6.35756 5.49591 8.01308 numMergedOcc 0
36 mol 72 unq 0 iso 0 dist 9.27838 5.69391 7.58875 9.96708 11.6378 9.55118 numMergedOcc 0
37 mol 73 unq 0 iso 0 dist 9.24757 6.20232 8.96616 6.19304 6.56633 8.68662 numMergedOcc 0
38 mol 73 unq 1 iso 0 dist 9.24757 5.70116 6.14542 9.96396 5.11416 9.73086 numMergedOcc 0
39 mol 73 unq 2 iso 0 dist 9.24757 5.70116 6.14542 6.19304 6.56633 7.4369 numMergedOcc 0
40 mol 92 unq 0 iso 0 dist 7.52354 6.95017 8.93769 13.2315 10.9681 7.13008 numMergedOcc 0
41 mol 98 unq 0 iso 0 dist 6.65501 10.4782 8.46823 17.4071 16.4267 9.64383 numMergedOcc 0
42 mol 98 unq 1 iso 0 dist 6.65501 10.4782 8.46823 6.10456 9.67482 7.54889 numMergedOcc 0
43 mol 98 unq 2 iso 0 dist 6.65501 10.4782 8.46823 10.1136 12.0974 7.78931 numMergedOcc 0
44 mol 98 unq 3 iso 0 dist 6.65501 3.9764 4.62494 5.08437 4.4057 5.10496 numMergedOcc 0
45 mol 98 unq 4 iso 0 dist 6.65501 3.9764 4.62494 6.48948 7.42446 5.92242 numMergedOcc 0
46 mol 98 unq 5 iso 0 dist 6.65501 3.9764 4.62494 6.10456 9.67482 5.2571 numMergedOcc 0
47 mol 98 unq 6 iso 0 dist 6.65501 3.9764 4.62494 10.1136 12.0974 8.7497 numMergedOcc 0
48 mol 100 unq 0 iso 0 dist 7.01812 4.03277 6.59691 9.60661 5.80144 8.91882 numMergedOcc 0
49 mol 100 unq 1 iso 0 dist 7.01812 4.03277 6.59691 10.1489 5.42531 9.21662 numMergedOcc 0
50 mol 100 unq 2 iso 0 dist 8.30845 6.23008 6.59691 6.65086 5.80144 8.91882 numMergedOcc 0
51 mol 100 unq 3 iso 0 dist 8.30845 6.23008 6.59691 13.2001 5.42531 9.21662 numMergedOcc 0
52 mol 109 unq 0 iso 0 dist 7.80523 5.00433 7.56755 13.1098 10.0688 9.89083 numMergedOcc 0
53 mol 109 unq 1 iso 0 dist 7.80523 5.00433 7.56755 8.69985 7.74599 8.52024 numMergedOcc 0
54 mol 119 unq 0 iso 0 dist 6.73586 4.39676 8.67537 6.18601 5.13589 8.95212 numMergedOcc 0
55 mol 119 unq 1 iso 0 dist 6.73586 4.39676 8.67537 10.1813 10.8661 6.99446 numMergedOcc 0
56 mol 119 unq 2 iso 0 dist 6.73586 4.39676 8.67537 9.72413 12.0175 7.64052 numMergedOcc 0
57 mol 119 unq 3 iso 0 dist 8.00003 9.85023 6.18678 13.4378 6.36778 9.77575 numMergedOcc 0
58 mol 129 unq 0 iso 0 dist 7.58957 6.28232 6.34626 10.1333 4.92472 5.51197 numMergedOcc 0
59 mol 133 unq 0 iso 0 dist 6.16242 13.0405 8.83732 6.29155 4.54648 8.77023 numMergedOcc 0
60 mol 133 unq 1 iso 0 dist 5.87634 13.7612 8.83732 6.80239 4.54648 8.77023 numMergedOcc 0
61 mol 134 unq 0 iso 0 dist 7.69991 12.847 9.0176 13.8307 7.1797 9.66543 numMergedOcc 0
62 mol 134 unq 1 iso 0 dist 7.69991 12.847 9.0176 11.9139 4.57832 7.21868 numMergedOcc 0
63 mol 134 unq 2 iso 0 dist 7.69991 12.847 9.0176 9.5126 5.29786 7.93372 numMergedOcc 0
64 mol 134 unq 3 iso 0 dist 6.23142 8.06642 9.0176 11.7385 7.1797 9.66543 numMergedOcc 0
65 mol 134 unq 4 iso 0 dist 6.23142 8.06642 9.0176 8.94367 4.57832 7.21868 numMergedOcc 0
66 mol 134 unq 5 iso 0 dist 6.23142 8.06642 9.0176 6.37586 5.29786 7.93372 numMergedOcc 0
67 mol 134 unq 6 iso 0 dist 9.94764 4.00092 9.0176 11.3835 7.1797 9.66543 numMergedOcc 0
68 mol 134 unq 7 iso 0 dist 9.94764 4.00092 9.0176 9.86662 4.57832 7.21868 numMergedOcc 0
69 mol 134 unq 8 iso 0 dist 9.94764 4.00092 9.0176 9.71307 5.29786 7.93372 numMergedOcc 0
70 mol 143 unq 0 iso 0 dist 7.78652 4.78563 5.06564 5.99315 6.48978 5.37047 numMergedOcc 0
71 mol 143 unq 1 iso 0 dist 8.91301 4.78563 7.5373 5.99315 5.20762 5.37047 numMergedOcc 0
72 mol 155 unq 0 iso 0 dist 7.92304 4.91785 9.16358 6.43582 5.50031 8.97626 numMergedOcc 0
73 mol 155 unq 1 iso 0 dist 8.69157 12.6999 9.24038 12.3052 6.89781 8.97626 numMergedOcc 0
74 mol 155 unq 2 iso 0 dist 6.53347 7.10286 9.24038 10.7829 6.89781 8.97626 numMergedOcc 0
75 mol 170 unq 0 iso 0 dist 9.10511 4.12764 6.47164 11.8841 9.275 9.08274 numMergedOcc 0
76 mol 170 unq 1 iso 0 dist 9.10511 4.12764 6.47164 12.8696 4.34698 9.51256 numMergedOcc 0
77 mol 170 unq 2 iso 0 dist 6.35982 4.78249 6.47164 12.8281 9.275 9.08274 numMergedOcc 0
78 mol 170 unq 3 iso 0 dist 6.35982 4.78249 6.47164 9.76807 4.34698 9.51256 numMergedOcc 0
79 mol 170 unq 4 iso 0 dist 7.51126 4.78249 9.65126 12.8281 12.5696 9.08274 numMergedOcc 0
80 mol 170 unq 5 iso 0 dist 7.51126 4.78249 9.65126 9.76807 5.75144 9.51256 numMergedOcc 0
81 mol 181 unq 0 iso 0 dist 6.46704 6.50233 7.35884 8.03334 4.43096 9.76212 numMergedOcc 0
82 mol 181 unq 1 iso 0 dist 6.46704 6.50233 7.35884 10.9639 6.06566 8.59874 numMergedOcc 0
83 mol 181 unq 2 iso 0 dist 5.9176 10.6474 8.12266 7.63312 5.63555 6.64173 numMergedOcc 0
84 mol 181 unq 3 iso 0 dist 5.9176 5.12833 9.43306 7.63312 5.63555 9.55105 numMergedOcc 0
85 mol 181 unq 4 iso 0 dist 9.39829 5.71898 5.99437 7.81386 7.20191 9.01624 numMergedOcc 0
86 mol 181 unq 5 iso 0 dist 9.39829 5.71898 5.99437 9.81747 5.48529 5.05973 numMergedOcc 0
87 mol 181 unq 6 iso 0 dist 9.39829 5.83796 8.4848 7.81386 7.20191 9.55105 numMergedOcc 0
88 mol 181 unq 7 iso 0 dist 6.41453 5.93724 5.99437 7.63312 7.20191 9.01624 numMergedOcc 0
89 mol 181 unq 8 iso 0 dist 6.41453 5.93724 5.99437 9.11469 5.48529 5.05973 numMergedOcc 0
90 mol 181 unq 9 iso 0 dist 6.41453 5.12833 8.4848 7.63312 7.20191 9.55105 numMergedOcc 0
91 mol 188 unq 0 iso 0 dist 7.14503 9.71636 8.66624 13.353 8.77113 7.88013 numMergedOcc 0
92 mol 204 unq 0 iso 0 dist 7.32294 5.57347 9.48625 8.51516 5.86489 7.9133 numMergedOcc 0
93 mol 222 unq 0 iso 0 dist 7.67576 6.84862 8.43195 7.21333 7.75656 5.56538 numMergedOcc 0
94 mol 222 unq 1 iso 0 dist 7.67576 9.53117 8.23406 7.21333 7.75656 7.48954 numMergedOcc 0
95 mol 227 unq 0 iso 0 dist 7.43071 5.0317 9.18728 7.22101 6.35849 5.23634 numMergedOcc 0
96 mol 227 unq 1 iso 0 dist 7.43071 5.0317 9.18728 8.65997 10.204 6.91318 numMergedOcc 0
97 mol 227 unq 2 iso 0 dist 5.41321 5.0317 8.91971 7.22101 10.9607 5.23634 numMergedOcc 0
98 mol 227 unq 3 iso 0 dist 5.41321 5.0317 8.91971 8.65997 9.72615 6.91318 numMergedOcc 0
99 mol 227 unq 4 iso 0 dist 6.02296 5.83175 9.18728 7.09863 6.35849 5.23634 numMergedOcc 0
100 mol 227 unq 5 iso 0 dist 6.02296 5.83175 9.18728 10.8157 10.204 6.91318 numMergedOcc 0
101 mol 229 unq 0 iso 0 dist 8.66332 5.70473 9.37336 8.22528 6.65022 7.27993 numMergedOcc 0
102 mol 229 unq 1 iso 0 dist 8.66332 5.70473 9.37336 11.3979 5.42069 9.51168 numMergedOcc 0
103 mol 229 unq 2 iso 0 dist 8.66332 5.70473 9.37336 11.7165 10.2411 6.95201 numMergedOcc 0
104 mol 232 unq 0 iso 0 dist 8.50102 9.74344 9.9183 10.5803 4.9377 6.71524 numMergedOcc 0
105 mol 232 unq 1 iso 0 dist 9.40808 5.10213 9.9183 8.27212 4.9377 6.71524 numMergedOcc 0
106 mol 234 unq 0 iso 0 dist 7.32499 13.1872 7.77911 10.3625 10.0059 7.81215 numMergedOcc 0
107 mol 234 unq 1 iso 0 dist 7.32499 13.1872 7.77911 11.0622 5.08515 5.64285 numMergedOcc 0
108 mol 273 unq 0 iso 0 dist 8.83865 8.56043 6.35532 13.3579 4.60101 9.59325 numMergedOcc 0
109 mol 273 unq 1 iso 0 dist 9.18157 8.81454 6.35532 13.4294 4.60101 9.59325 numMergedOcc 0
110 mol 274 unq 0 iso 0 dist 7.46394 5.22914 7.77765 12.3938 9.5468 9.30212 numMergedOcc 0
111 mol 274 unq 1 iso 0 dist 7.46394 14.7507 9.65868 12.3938 9.5468 6.4611 numMergedOcc 0
112 mol 274 unq 2 iso 0 dist 9.45514 12.393 7.77765 10.7806 9.5468 9.30212 numMergedOcc 0
113 mol 274 unq 3 iso 0 dist 9.45514 8.87855 9.65868 10.7806 9.5468 6.4611 numMergedOcc 0
114 mol 274 unq 4 iso 0 dist 8.91672 16.5034 7.77765 16.3286 9.5468 9.30212 numMergedOcc 0
115 mol 274 unq 5 iso 0 dist 8.91672 12.5615 9.65868 16.3286 9.5468 6.4611 numMergedOcc 0
116 mol 274 unq 6 iso 0 dist 7.1729 10.2884 7.77765 13.5896 9.5468 9.30212 numMergedOcc 0
117 mol 274 unq 7 iso 0 dist 7.1729 13.0867 9.65868 13.5896 9.5468 6.4611 numMergedOcc 0
118 mol 274 unq 8 iso 0 dist 8.52587 16.9539 8.60027 13.9359 6.70925 6.4611 numMergedOcc 0
119 mol 274 unq 9 iso 0 dist 6.39866 8.87855 8.60027 10.7806 6.70925 6.4611 numMergedOcc 0
