0 mol 7 unq 0 iso 0 dist 8.36111 17.4437 9.87885 17.0751 12.8323 8.41585 numMergedOcc 0
1 mol 7 unq 1 iso 0 dist 8.36111 5.77391 6.1206 11.9671 7.12508 7.10621 numMergedOcc 0
2 mol 7 unq 2 iso 0 dist 5.99898 5.77391 7.67927 11.9671 11.143 7.10621 numMergedOcc 0
3 mol 7 unq 3 iso 0 dist 7.2834 10.3415 7.67927 16.4849 11.143 7.10621 numMergedOcc 0
4 mol 8 unq 0 iso 0 dist 9.08552 13.7837 9.01112 15.2421 7.12261 9.62879 numMergedOcc 0
5 mol 16 unq 0 iso 0 dist 6.21616 5.70228 7.65889 8.59049 6.86055 4.7319 numMergedOcc 0
6 mol 16 unq 1 iso 0 dist 6.21616 5.61445 6.42835 8.82587 5.01101 5.05803 numMergedOcc 0
7 mol 16 unq 2 iso 0 dist 9.45103 5.61445 6.57331 8.82587 4.65873 5.05803 numMergedOcc 0
8 mol 16 unq 3 iso 0 dist 9.45103 12.5048 8.43054 8.82587 4.65873 6.31718 numMergedOcc 0
9 mol 16 unq 4 iso 0 dist 9.45103 12.5048 8.43054 17.6238 9.81307 7.63133 numMergedOcc 0
10 mol 25 unq 0 iso 0 dist 9.39274 11.5983 7.99919 6.23095 4.77954 6.03987 numMergedOcc 0
11 mol 25 unq 1 iso 0 dist 9.95169 4.96681 9.48085 9.22151 5.18617 7.57578 numMergedOcc 0
12 mol 25 unq 2 iso 0 dist 9.95169 4.96681 9.48085 6.22122 5.68041 7.17969 numMergedOcc 0
13 mol 25 unq 3 iso 0 dist 9.95169 12.2441 9.49421 14.305 13.6145 5.04899 numMergedOcc 0
14 mol 72 unq 0 iso 0 dist 8.16985 11.6369 7.12321 12.3223 4.27726 8.8178 numMergedOcc 0
15 mol 72 unq 1 iso 0 dist 8.16985 11.6369 7.12321 6.7212 7.47371 9.96708 numMergedOcc 0
16 mol 72 unq 2 iso 0 dist 8.16985 6.12361 6.21799 6.7212 7.47371 9.78528 numMergedOcc 0
17 mol 72 unq 3 iso 0 dist 7.81344 6.12361 5.03251 6.7212 9.67587 9.78528 numMergedOcc 0
18 mol 72 unq 4 iso 0 dist 7.49245 5.43672 5.03251 13.3713 9.67587 9.78528 numMergedOcc 0
19 mol 72 unq 5 iso 0 dist 5.49421 6.12361 7.66093 6.7212 7.07356 9.78528 numMergedOcc 0
20 mol 98 unq 0 iso 0 dist 4.79891 4.72129 7.02507 8.05602 7.03983 6.48948 numMergedOcc 0
21 mol 98 unq 1 iso 0 dist 6.74197 11.0642 7.54889 15.44 10.4782 6.10456 numMergedOcc 0
22 mol 100 unq 0 iso 0 dist 5.30117 5.92158 5.35782 8.96916 6.30222 6.45675 numMergedOcc 0
23 mol 100 unq 1 iso 0 dist 5.30117 5.92158 5.35782 5.70279 5.47563 7.47343 numMergedOcc 0
24 mol 100 unq 2 iso 0 dist 5.30117 5.92158 5.35782 9.71692 5.03232 8.86688 numMergedOcc 0
25 mol 109 unq 0 iso 0 dist 9.05604 5.25186 6.29161 11.8274 6.73011 7.34473 numMergedOcc 0
26 mol 109 unq 1 iso 0 dist 5.58623 5.25186 7.86666 11.8274 13.0886 7.34473 numMergedOcc 0
27 mol 117 unq 0 iso 0 dist 8.54233 5.34484 6.10127 8.81172 6.57678 9.84395 numMergedOcc 0
28 mol 117 unq 1 iso 0 dist 8.54233 5.34484 6.10127 11.6152 10.5783 7.90328 numMergedOcc 0
29 mol 129 unq 0 iso 0 dist 8.46972 10.1294 5.51197 17.6185 12.1739 8.54584 numMergedOcc 0
30 mol 130 unq 0 iso 0 dist 9.58844 7.21973 6.93139 9.77934 4.97996 8.70949 numMergedOcc 0
31 mol 133 unq 0 iso 0 dist 4.79003 7.33132 7.22643 9.79004 6.9945 8.22656 numMergedOcc 0
32 mol 133 unq 1 iso 0 dist 4.79003 7.33132 7.22643 8.43069 4.19723 6.82262 numMergedOcc 0
33 mol 142 unq 0 iso 0 dist 5.90339 8.68855 7.81207 7.15087 4.67662 9.2313 numMergedOcc 0
34 mol 142 unq 1 iso 0 dist 5.90339 8.68855 7.81207 10.5719 5.81599 7.73169 numMergedOcc 0
35 mol 142 unq 2 iso 0 dist 5.90339 8.68855 7.81207 15.3413 11.1 8.96657 numMergedOcc 0
36 mol 142 unq 3 iso 0 dist 5.90339 5.50176 6.14151 7.15087 4.67662 5.31024 numMergedOcc 0
37 mol 142 unq 4 iso 0 dist 5.90339 5.50176 6.14151 10.5719 5.81599 7.26382 numMergedOcc 0
38 mol 155 unq 0 iso 0 dist 8.14405 7.92939 8.97626 12.7322 9.16779 7.46303 numMergedOcc 0
39 mol 155 unq 1 iso 0 dist 8.14405 7.92939 8.97626 5.68636 4.91785 6.43582 numMergedOcc 0
40 mol 178 unq 0 iso 0 dist 9.03126 9.74132 7.06025 12.3456 6.42973 6.69288 numMergedOcc 0
41 mol 186 unq 0 iso 0 dist 7.12029 5.77884 6.61112 12.2764 11.0961 7.54065 numMergedOcc 0
42 mol 214 unq 0 iso 0 dist 6.91906 5.68711 7.46481 13.6328 11.4955 9.65138 numMergedOcc 0
43 mol 214 unq 1 iso 0 dist 6.91906 5.68711 7.46481 11.6154 8.459 7.14453 numMergedOcc 0
44 mol 214 unq 2 iso 0 dist 6.91906 5.68711 7.46481 11.5105 11.1534 8.85478 numMergedOcc 0
45 mol 222 unq 0 iso 0 dist 8.51427 5.60111 5.56538 5.47561 6.84862 7.21333 numMergedOcc 0
46 mol 224 unq 0 iso 0 dist 5.88041 13.1803 8.08349 10.6043 5.13732 6.61986 numMergedOcc 0
47 mol 224 unq 1 iso 0 dist 5.31916 8.98459 6.99769 10.1632 5.76843 6.65832 numMergedOcc 0
48 mol 224 unq 2 iso 0 dist 5.31916 9.81806 8.79428 9.73411 7.05804 6.57273 numMergedOcc 0
49 mol 224 unq 3 iso 0 dist 5.31916 9.81806 8.79428 10.1632 5.76843 6.60589 numMergedOcc 0
50 mol 224 unq 4 iso 0 dist 5.31916 5.99647 6.8692 9.73411 7.05804 5.78342 numMergedOcc 0
51 mol 224 unq 5 iso 0 dist 5.31916 5.99647 6.8692 10.1632 5.76843 9.16166 numMergedOcc 0
52 mol 224 unq 6 iso 0 dist 5.31916 5.99647 6.8692 7.75485 4.54188 5.81334 numMergedOcc 0
53 mol 243 unq 0 iso 0 dist 5.54003 7.95216 8.67156 12.7318 9.89868 8.23192 numMergedOcc 0
54 mol 259 unq 0 iso 0 dist 9.2885 5.43184 8.03219 8.57619 4.04513 5.30224 numMergedOcc 0
55 mol 259 unq 1 iso 0 dist 6.95658 5.20592 9.07743 5.75874 6.73882 8.53687 numMergedOcc 0
56 mol 259 unq 2 iso 0 dist 6.95658 5.20592 9.07743 10.9903 8.8603 8.13497 numMergedOcc 0
57 mol 259 unq 3 iso 0 dist 6.95658 6.80302 7.66153 10.9903 8.8603 7.88519 numMergedOcc 0
58 mol 259 unq 4 iso 0 dist 6.95658 6.80302 7.66153 10.8535 5.8801 7.84554 numMergedOcc 0
59 mol 259 unq 5 iso 0 dist 6.95658 6.80302 7.66153 13.7903 11.8896 7.46176 numMergedOcc 0
60 mol 259 unq 6 iso 0 dist 6.95658 6.80302 7.66153 11.7532 5.81576 9.18903 numMergedOcc 0
61 mol 273 unq 0 iso 0 dist 8.28809 6.69098 9.59325 13.6003 12.2939 9.01049 numMergedOcc 0
62 mol 276 unq 0 iso 0 dist 8.51449 6.33662 8.6759 13.9936 9.39944 9.8993 numMergedOcc 0
63 mol 276 unq 1 iso 0 dist 8.51449 6.33662 8.6759 8.79189 8.26321 6.87396 numMergedOcc 0
64 mol 276 unq 2 iso 0 dist 7.70127 9.58401 8.6759 12.5562 9.39944 9.8993 numMergedOcc 0
65 mol 276 unq 3 iso 0 dist 7.70127 9.58401 8.6759 13.4249 8.26321 6.87396 numMergedOcc 0
66 mol 280 unq 0 iso 0 dist 6.16546 8.30978 6.02353 8.80588 4.90315 6.53701 numMergedOcc 0
67 mol 280 unq 1 iso 0 dist 6.16546 5.80223 6.86234 8.80588 4.90315 6.0664 numMergedOcc 0
