0 mol 16 unq 0 iso 0 dist 8.59049 6.21616 6.86055 5.70228 4.7319 7.65889 numMergedOcc 0
1 mol 16 unq 1 iso 0 dist 8.59049 9.45103 12.9201 5.70228 4.7319 13.1847 numMergedOcc 0
2 mol 24 unq 0 iso 0 dist 8.20058 8.45916 4.79736 16.6906 8.86116 12.3058 numMergedOcc 0
3 mol 24 unq 1 iso 0 dist 8.20058 8.45916 4.79736 14.9411 8.38394 10.6772 numMergedOcc 0
4 mol 25 unq 0 iso 0 dist 6.23095 9.39274 4.77954 10.747 7.31767 11.0249 numMergedOcc 0
5 mol 25 unq 1 iso 0 dist 6.23095 9.39274 4.77954 11.5983 6.03987 7.99919 numMergedOcc 0
6 mol 25 unq 2 iso 0 dist 9.22151 9.95169 5.18617 4.96681 7.57578 9.48085 numMergedOcc 0
7 mol 25 unq 3 iso 0 dist 6.22122 9.95169 5.68041 4.96681 7.17969 9.48085 numMergedOcc 0
8 mol 52 unq 0 iso 0 dist 7.70026 8.01537 6.68648 13.9113 7.34143 10.3447 numMergedOcc 0
9 mol 72 unq 0 iso 0 dist 6.68311 9.26417 4.03844 8.1124 8.8178 12.4827 numMergedOcc 0
10 mol 72 unq 1 iso 0 dist 6.68311 9.26417 4.03844 15.0607 9.96708 12.111 numMergedOcc 0
11 mol 72 unq 2 iso 0 dist 6.7212 8.16985 7.47371 11.6369 9.96708 7.12321 numMergedOcc 0
12 mol 72 unq 3 iso 0 dist 6.7212 8.16985 7.47371 6.12361 9.78528 6.21799 numMergedOcc 0
13 mol 72 unq 4 iso 0 dist 6.7212 7.81344 9.67587 11.6369 9.96708 9.35457 numMergedOcc 0
14 mol 72 unq 5 iso 0 dist 6.7212 7.81344 9.67587 6.12361 9.78528 5.03251 numMergedOcc 0
15 mol 72 unq 6 iso 0 dist 6.7212 5.49421 7.07356 11.6369 9.96708 12.1131 numMergedOcc 0
16 mol 72 unq 7 iso 0 dist 6.7212 5.49421 7.07356 6.12361 9.78528 7.66093 numMergedOcc 0
17 mol 78 unq 0 iso 0 dist 5.57265 6.90069 7.9569 5.58109 7.9245 12.0052 numMergedOcc 0
18 mol 98 unq 0 iso 0 dist 8.05602 4.79891 7.03983 12.0507 5.08437 9.89095 numMergedOcc 0
19 mol 98 unq 1 iso 0 dist 8.05602 4.79891 7.03983 4.72129 6.48948 7.02507 numMergedOcc 0
20 mol 98 unq 2 iso 0 dist 8.05602 4.79891 7.03983 12.0339 6.10456 12.7417 numMergedOcc 0
21 mol 100 unq 0 iso 0 dist 8.96916 5.30117 6.30222 5.92158 6.45675 5.35782 numMergedOcc 0
22 mol 100 unq 1 iso 0 dist 5.70279 5.30117 5.47563 5.92158 7.47343 5.35782 numMergedOcc 0
23 mol 100 unq 2 iso 0 dist 5.70279 5.30117 5.47563 5.85449 6.65086 9.94341 numMergedOcc 0
24 mol 100 unq 3 iso 0 dist 5.70279 5.30117 5.47563 7.68675 6.56369 9.82522 numMergedOcc 0
25 mol 100 unq 4 iso 0 dist 5.70279 5.30117 5.47563 9.53223 9.30209 13.4844 numMergedOcc 0
26 mol 109 unq 0 iso 0 dist 8.84523 7.22752 6.35679 14.7654 8.69985 14.6042 numMergedOcc 0
27 mol 117 unq 0 iso 0 dist 8.81172 8.54233 6.57678 5.34484 9.84395 6.10127 numMergedOcc 0
28 mol 119 unq 0 iso 0 dist 8.88255 6.88175 6.9194 10.5726 8.73993 12.31 numMergedOcc 0
29 mol 119 unq 1 iso 0 dist 8.88255 9.98931 13.3292 10.5726 8.73993 18.4632 numMergedOcc 0
30 mol 119 unq 2 iso 0 dist 8.88255 8.47642 10.1294 10.5726 8.73993 14.221 numMergedOcc 0
31 mol 129 unq 0 iso 0 dist 6.23966 8.46972 6.28232 5.16275 9.61051 11.3039 numMergedOcc 0
32 mol 129 unq 1 iso 0 dist 6.23966 8.46972 6.28232 6.65856 5.83384 11.7541 numMergedOcc 0
33 mol 133 unq 0 iso 0 dist 9.79004 4.79003 6.9945 10.0277 7.24514 10.4642 numMergedOcc 0
34 mol 133 unq 1 iso 0 dist 9.79004 4.79003 6.9945 7.33132 8.22656 7.22643 numMergedOcc 0
35 mol 133 unq 2 iso 0 dist 8.43069 4.79003 4.19723 7.33132 6.82262 7.22643 numMergedOcc 0
36 mol 142 unq 0 iso 0 dist 7.15087 5.90339 4.67662 8.68855 9.2313 7.81207 numMergedOcc 0
37 mol 142 unq 1 iso 0 dist 7.15087 5.90339 4.67662 5.50176 5.31024 6.14151 numMergedOcc 0
38 mol 155 unq 0 iso 0 dist 5.68636 8.14405 4.91785 7.92939 6.43582 8.97626 numMergedOcc 0
39 mol 222 unq 0 iso 0 dist 5.47561 8.51427 6.84862 10.6375 8.01589 14.4477 numMergedOcc 0
40 mol 222 unq 1 iso 0 dist 5.47561 8.51427 6.84862 5.39098 7.7699 10.0233 numMergedOcc 0
41 mol 222 unq 2 iso 0 dist 5.47561 8.51427 6.84862 5.60111 7.21333 5.56538 numMergedOcc 0
42 mol 224 unq 0 iso 0 dist 9.73411 5.31916 7.05804 14.1073 8.95269 13.2325 numMergedOcc 0
43 mol 224 unq 1 iso 0 dist 9.73411 5.31916 7.05804 9.81806 6.57273 8.79428 numMergedOcc 0
44 mol 224 unq 2 iso 0 dist 9.73411 5.31916 7.05804 5.99647 5.78342 6.8692 numMergedOcc 0
45 mol 224 unq 3 iso 0 dist 7.75485 5.31916 4.54188 5.99647 5.81334 6.8692 numMergedOcc 0
46 mol 229 unq 0 iso 0 dist 8.8557 8.3932 4.17276 5.65373 8.22528 10.3243 numMergedOcc 0
47 mol 229 unq 1 iso 0 dist 5.00457 8.3932 4.92403 5.65373 7.03423 10.3243 numMergedOcc 0
48 mol 229 unq 2 iso 0 dist 5.00457 8.3932 4.92403 6.23084 9.06952 13.7137 numMergedOcc 0
49 mol 231 unq 0 iso 0 dist 8.91036 9.37406 10.7703 10.613 7.37839 12.8638 numMergedOcc 0
50 mol 231 unq 1 iso 0 dist 8.91036 8.98908 13.4098 10.613 7.37839 18.1166 numMergedOcc 0
51 mol 232 unq 0 iso 0 dist 9.95045 7.53576 5.42461 12.5761 8.27212 10.3021 numMergedOcc 0
52 mol 238 unq 0 iso 0 dist 4.87108 5.41453 6.82305 7.45873 6.22714 10.1172 numMergedOcc 0
53 mol 238 unq 1 iso 0 dist 7.64276 5.41453 5.71717 7.45873 7.31233 10.1172 numMergedOcc 0
54 mol 258 unq 0 iso 0 dist 8.44862 5.8804 8.74421 10.4505 6.97229 9.17612 numMergedOcc 0
55 mol 259 unq 0 iso 0 dist 5.75874 6.95658 6.73882 5.20592 8.53687 9.07743 numMergedOcc 0
56 mol 259 unq 1 iso 0 dist 8.57619 9.2885 4.04513 5.43184 5.30224 8.03219 numMergedOcc 0
57 mol 274 unq 0 iso 0 dist 8.30175 9.38914 5.36857 5.55557 9.10818 10.5494 numMergedOcc 0
58 mol 276 unq 0 iso 0 dist 8.79189 8.51449 8.26321 6.33662 6.87396 8.6759 numMergedOcc 0
59 mol 280 unq 0 iso 0 dist 8.80588 6.16546 4.90315 8.30978 6.53701 6.02353 numMergedOcc 0
60 mol 280 unq 1 iso 0 dist 8.80588 6.16546 4.90315 5.80223 6.0664 6.86234 numMergedOcc 0
