0 mol 7 unq 0 iso 0 dist 6.8464 5.0893 8.41585 9.85147 5.99972 12.0193 numMergedOcc 0
1 mol 19 unq 0 iso 0 dist 6.41045 13.3276 8.4674 10.4834 8.40416 9.74255 numMergedOcc 0
2 mol 19 unq 1 iso 0 dist 6.41045 7.64353 4.51865 10.4834 8.40416 7.08342 numMergedOcc 0
3 mol 24 unq 0 iso 0 dist 8.0319 11.4109 6.86014 10.6504 7.33768 4.32034 numMergedOcc 0
4 mol 24 unq 1 iso 0 dist 8.0319 11.4109 6.86014 15.919 9.01567 8.67951 numMergedOcc 0
5 mol 24 unq 2 iso 0 dist 8.0319 11.4109 6.86014 15.2997 7.29868 8.52463 numMergedOcc 0
6 mol 43 unq 0 iso 0 dist 8.03754 14.0204 8.80331 11.3298 8.95682 6.18002 numMergedOcc 0
7 mol 43 unq 1 iso 0 dist 8.03754 13.1056 6.20293 11.3298 8.95682 8.38399 numMergedOcc 0
8 mol 59 unq 0 iso 0 dist 9.83775 13.0222 7.71095 3.85789 6.73347 9.64444 numMergedOcc 0
9 mol 59 unq 1 iso 0 dist 9.83775 5.82428 8.84665 3.85789 6.73347 4.36133 numMergedOcc 0
10 mol 59 unq 2 iso 0 dist 9.83775 10.1226 8.25513 3.85789 6.73347 6.66692 numMergedOcc 0
11 mol 73 unq 0 iso 0 dist 7.23812 12.8453 9.96396 14.7042 9.24757 5.11416 numMergedOcc 0
12 mol 73 unq 1 iso 0 dist 7.23812 9.59988 6.19304 14.7042 9.24757 6.56633 numMergedOcc 0
13 mol 73 unq 2 iso 0 dist 7.23812 7.80518 8.70481 14.7042 9.24757 15.3808 numMergedOcc 0
14 mol 85 unq 0 iso 0 dist 9.67557 6.53819 7.95579 13.5302 7.54568 10.2865 numMergedOcc 0
15 mol 85 unq 1 iso 0 dist 9.67557 9.9705 6.19965 13.5302 7.54568 8.09967 numMergedOcc 0
16 mol 85 unq 2 iso 0 dist 9.67557 15.3279 7.66905 13.5302 7.54568 4.65335 numMergedOcc 0
17 mol 92 unq 0 iso 0 dist 7.11695 14.4144 9.33898 4.92054 8.91313 17.5889 numMergedOcc 0
18 mol 92 unq 1 iso 0 dist 7.11695 14.4144 9.33898 6.7197 8.16392 10.8304 numMergedOcc 0
19 mol 92 unq 2 iso 0 dist 7.11695 9.54167 9.64443 4.92054 8.91313 13.3881 numMergedOcc 0
20 mol 92 unq 3 iso 0 dist 7.11695 9.54167 9.64443 6.7197 8.16392 5.90097 numMergedOcc 0
21 mol 100 unq 0 iso 0 dist 7.689 14.9329 9.60661 12.5859 7.01812 5.80144 numMergedOcc 0
22 mol 100 unq 1 iso 0 dist 7.689 5.71475 7.17106 12.5859 7.01812 8.4128 numMergedOcc 0
23 mol 100 unq 2 iso 0 dist 7.689 10.3954 9.35224 12.5859 7.01812 10.0456 numMergedOcc 0
24 mol 100 unq 3 iso 0 dist 9.22737 12.9061 7.47343 10.6748 8.30845 12.2861 numMergedOcc 0
25 mol 100 unq 4 iso 0 dist 9.22737 12.9061 7.47343 9.64716 8.76378 15.5385 numMergedOcc 0
26 mol 100 unq 5 iso 0 dist 9.22737 6.60925 6.65086 10.6748 8.30845 5.80144 numMergedOcc 0
27 mol 100 unq 6 iso 0 dist 9.22737 6.60925 6.65086 9.64716 8.76378 12.3577 numMergedOcc 0
28 mol 100 unq 7 iso 0 dist 9.22737 4.95357 6.56369 10.6748 8.30845 10.0456 numMergedOcc 0
29 mol 100 unq 8 iso 0 dist 9.22737 4.95357 6.56369 9.64716 8.76378 4.97045 numMergedOcc 0
30 mol 100 unq 9 iso 0 dist 9.22737 5.05858 9.30209 10.6748 8.30845 6.70236 numMergedOcc 0
31 mol 100 unq 10 iso 0 dist 9.22737 5.05858 9.30209 9.64716 8.76378 10.7791 numMergedOcc 0
32 mol 101 unq 0 iso 0 dist 8.65215 9.17843 6.57035 4.93063 6.98314 5.53055 numMergedOcc 0
33 mol 109 unq 0 iso 0 dist 9.41191 12.7291 8.69985 13.7792 7.80523 7.74599 numMergedOcc 0
34 mol 122 unq 0 iso 0 dist 8.75778 9.00329 8.37808 6.78281 8.88537 5.0355 numMergedOcc 0
35 mol 122 unq 1 iso 0 dist 8.75778 9.00329 8.37808 10.8777 9.23819 7.39059 numMergedOcc 0
36 mol 129 unq 0 iso 0 dist 8.59695 6.13737 5.83384 7.72162 9.36851 10.7293 numMergedOcc 0
37 mol 129 unq 1 iso 0 dist 8.59695 6.13737 5.83384 7.95267 4.97175 7.29399 numMergedOcc 0
38 mol 129 unq 2 iso 0 dist 6.42706 5.12351 5.83384 13.0193 9.36851 10.7293 numMergedOcc 0
39 mol 129 unq 3 iso 0 dist 6.42706 5.12351 5.83384 8.03693 4.97175 7.29399 numMergedOcc 0
40 mol 133 unq 0 iso 0 dist 8.97762 9.74121 6.29155 11.4871 6.16242 4.54648 numMergedOcc 0
41 mol 133 unq 1 iso 0 dist 9.1146 11.0256 7.11802 15.0618 9.22232 16.0138 numMergedOcc 0
42 mol 133 unq 2 iso 0 dist 9.1146 11.0256 7.11802 9.68947 9.22661 5.92062 numMergedOcc 0
43 mol 133 unq 3 iso 0 dist 9.1146 11.0256 7.11802 5.10826 7.56378 6.61891 numMergedOcc 0
44 mol 134 unq 0 iso 0 dist 8.86784 5.15251 6.54501 12.3839 7.80532 7.41674 numMergedOcc 0
45 mol 134 unq 1 iso 0 dist 8.86784 6.65283 6.49416 12.3839 7.80532 9.87376 numMergedOcc 0
46 mol 170 unq 0 iso 0 dist 9.32245 6.45787 9.76807 4.11212 6.35982 4.34698 numMergedOcc 0
47 mol 170 unq 1 iso 0 dist 9.32245 6.45787 9.76807 9.2613 7.51126 5.75144 numMergedOcc 0
48 mol 181 unq 0 iso 0 dist 7.7544 10.8374 7.81386 7.18433 9.39829 7.20191 numMergedOcc 0
49 mol 182 unq 0 iso 0 dist 9.06702 13.1207 9.31746 7.42577 6.73956 7.68794 numMergedOcc 0
50 mol 182 unq 1 iso 0 dist 9.06702 13.1207 9.31746 4.49268 7.09394 9.37404 numMergedOcc 0
51 mol 204 unq 0 iso 0 dist 9.44947 10.5243 7.10633 4.29037 9.68728 7.67571 numMergedOcc 0
52 mol 204 unq 1 iso 0 dist 9.44947 10.2677 8.51516 4.29037 9.68728 10.8573 numMergedOcc 0
53 mol 205 unq 0 iso 0 dist 8.52924 7.17157 6.03031 5.63231 6.03688 8.15057 numMergedOcc 0
54 mol 205 unq 1 iso 0 dist 8.52924 11.993 7.26832 5.63231 6.03688 12.4957 numMergedOcc 0
55 mol 205 unq 2 iso 0 dist 8.52924 9.67882 7.80463 5.63231 6.03688 6.09749 numMergedOcc 0
56 mol 205 unq 3 iso 0 dist 7.51951 5.04299 7.26832 7.56138 5.44002 10.3603 numMergedOcc 0
57 mol 205 unq 4 iso 0 dist 6.94789 6.98812 9.61492 10.0824 4.8668 9.13652 numMergedOcc 0
58 mol 205 unq 5 iso 0 dist 6.94789 12.019 7.45763 10.0824 4.8668 5.8535 numMergedOcc 0
59 mol 205 unq 6 iso 0 dist 6.23932 13.4557 9.61492 5.00854 4.8668 9.13652 numMergedOcc 0
60 mol 205 unq 7 iso 0 dist 6.23932 4.37383 7.45763 5.00854 4.8668 5.8535 numMergedOcc 0
61 mol 206 unq 0 iso 0 dist 8.11407 7.72969 7.7366 11.6019 6.16414 6.45859 numMergedOcc 0
62 mol 206 unq 1 iso 0 dist 8.11407 7.72969 7.7366 9.98867 7.33701 4.40897 numMergedOcc 0
63 mol 206 unq 2 iso 0 dist 8.11407 7.72969 7.7366 9.88398 8.0871 7.62219 numMergedOcc 0
64 mol 206 unq 3 iso 0 dist 8.95375 6.84704 8.02137 11.6019 7.75885 12.7604 numMergedOcc 0
65 mol 206 unq 4 iso 0 dist 8.95375 7.72969 9.774 11.6019 7.75885 6.45859 numMergedOcc 0
66 mol 206 unq 5 iso 0 dist 9.29007 12.4178 8.02137 6.64436 7.75885 12.7604 numMergedOcc 0
67 mol 206 unq 6 iso 0 dist 9.29007 9.9578 9.774 6.64436 7.75885 6.45859 numMergedOcc 0
68 mol 210 unq 0 iso 0 dist 6.13878 5.4508 6.18308 9.94073 7.10826 5.87279 numMergedOcc 0
69 mol 222 unq 0 iso 0 dist 6.77368 8.47937 6.00706 6.49768 9.07471 7.75466 numMergedOcc 0
70 mol 222 unq 1 iso 0 dist 6.77368 10.4837 7.54212 6.49768 9.07471 13.3447 numMergedOcc 0
71 mol 222 unq 2 iso 0 dist 7.73634 4.81992 6.00706 10.3035 9.07471 7.75466 numMergedOcc 0
72 mol 222 unq 3 iso 0 dist 7.73634 9.69122 7.54212 10.3035 9.07471 13.3447 numMergedOcc 0
73 mol 234 unq 0 iso 0 dist 5.46736 4.82695 8.34494 6.30638 9.81425 4.3717 numMergedOcc 0
74 mol 234 unq 1 iso 0 dist 5.46736 4.93623 6.56247 6.30638 9.81425 4.46561 numMergedOcc 0
75 mol 234 unq 2 iso 0 dist 5.46736 11.7817 9.36357 6.30638 9.81425 10.641 numMergedOcc 0
76 mol 248 unq 0 iso 0 dist 8.98788 9.01779 9.56569 6.71088 7.16525 4.30004 numMergedOcc 0
77 mol 249 unq 0 iso 0 dist 6.26142 5.59015 7.57994 9.55793 5.48118 10.7772 numMergedOcc 0
78 mol 249 unq 1 iso 0 dist 6.26142 4.77325 6.18582 9.55793 5.48118 7.04666 numMergedOcc 0
79 mol 258 unq 0 iso 0 dist 7.69358 9.80642 6.97229 10.4922 7.6595 6.7919 numMergedOcc 0
80 mol 261 unq 0 iso 0 dist 5.00128 9.40373 8.02547 6.76449 8.43974 5.91643 numMergedOcc 0
81 mol 261 unq 1 iso 0 dist 5.00128 5.09097 8.43057 6.76449 8.43974 8.29908 numMergedOcc 0
82 mol 261 unq 2 iso 0 dist 5.00128 4.86901 6.05727 6.76449 8.43974 5.02383 numMergedOcc 0
83 mol 261 unq 3 iso 0 dist 6.58604 10.3517 8.02547 7.91847 8.43974 5.91643 numMergedOcc 0
84 mol 261 unq 4 iso 0 dist 6.58604 11.9784 8.43057 7.91847 8.43974 8.29908 numMergedOcc 0
85 mol 261 unq 5 iso 0 dist 6.58604 9.47323 6.05727 7.91847 8.43974 5.02383 numMergedOcc 0
86 mol 261 unq 6 iso 0 dist 7.30472 6.43209 8.02547 5.08716 8.43974 5.91643 numMergedOcc 0
87 mol 261 unq 7 iso 0 dist 7.30472 11.6843 8.43057 5.08716 8.43974 8.29908 numMergedOcc 0
88 mol 261 unq 8 iso 0 dist 7.30472 7.78464 6.05727 5.08716 8.43974 5.02383 numMergedOcc 0
89 mol 273 unq 0 iso 0 dist 9.37841 9.71586 9.01049 4.73332 8.49177 9.25493 numMergedOcc 0
90 mol 282 unq 0 iso 0 dist 7.71088 5.86383 8.04483 4.90579 9.0975 5.65568 numMergedOcc 0
91 mol 282 unq 1 iso 0 dist 7.71088 11.2986 8.76532 4.90579 9.0975 8.12478 numMergedOcc 0
92 mol 282 unq 2 iso 0 dist 7.71088 7.46064 6.33524 4.90579 9.0975 5.0324 numMergedOcc 0
