0 mol 7 unq 0 iso 0 dist 8.88982 16.991 9.67164 20.7193 12.2041 5.99459 numMergedOcc 0
1 mol 7 unq 1 iso 0 dist 8.8576 5.33843 5.99459 14.6878 12.2041 9.67164 numMergedOcc 0
2 mol 25 unq 0 iso 0 dist 6.00307 11.2808 9.48085 13.1745 10.9391 9.49421 numMergedOcc 0
3 mol 30 unq 0 iso 0 dist 9.28346 4.02928 6.07517 10.7688 5.34368 6.74179 numMergedOcc 0
4 mol 58 unq 0 iso 0 dist 9.92438 3.73561 8.66539 7.66055 5.79773 5.38524 numMergedOcc 0
5 mol 58 unq 1 iso 0 dist 9.92438 3.73561 8.66539 11.2215 10.8779 8.69057 numMergedOcc 0
6 mol 58 unq 2 iso 0 dist 7.66055 3.73561 5.38524 9.92438 5.79773 8.66539 numMergedOcc 0
7 mol 58 unq 3 iso 0 dist 7.66055 3.73561 5.38524 11.2215 5.47421 8.69057 numMergedOcc 0
8 mol 60 unq 0 iso 0 dist 8.46609 12.2249 7.57295 13.7633 5.67502 8.4312 numMergedOcc 0
9 mol 60 unq 1 iso 0 dist 8.46609 12.2249 7.57295 12.0878 6.54743 7.48086 numMergedOcc 0
10 mol 62 unq 0 iso 0 dist 6.56664 5.68713 9.69044 9.58156 8.62608 6.9103 numMergedOcc 0
11 mol 62 unq 1 iso 0 dist 9.58156 5.68713 6.9103 6.56664 8.62608 9.69044 numMergedOcc 0
12 mol 62 unq 2 iso 0 dist 7.99003 6.72919 9.69044 9.89555 8.62608 6.9103 numMergedOcc 0
13 mol 62 unq 3 iso 0 dist 9.96382 3.78856 9.69044 7.59416 8.62608 6.9103 numMergedOcc 0
14 mol 62 unq 4 iso 0 dist 7.59416 3.78856 6.9103 9.96382 8.62608 9.69044 numMergedOcc 0
15 mol 76 unq 0 iso 0 dist 7.63534 10.4541 9.85905 9.58389 10.2879 6.72869 numMergedOcc 0
16 mol 76 unq 1 iso 0 dist 8.51543 5.4968 6.72869 15.1609 10.2879 9.85905 numMergedOcc 0
17 mol 78 unq 0 iso 0 dist 9.45835 7.18645 6.85523 10.3301 7.19663 8.65848 numMergedOcc 0
18 mol 88 unq 0 iso 0 dist 8.25679 5.7326 7.51139 12.8811 12.1547 7.80898 numMergedOcc 0
19 mol 89 unq 0 iso 0 dist 5.25504 5.72671 5.51831 11.3974 6.50464 8.40422 numMergedOcc 0
20 mol 89 unq 1 iso 0 dist 5.25504 5.72671 5.51831 11.7877 8.46794 8.40425 numMergedOcc 0
21 mol 89 unq 2 iso 0 dist 5.25504 5.72671 5.51831 11.8494 10.4087 7.47974 numMergedOcc 0
22 mol 89 unq 3 iso 0 dist 5.25504 5.72671 5.51831 9.35415 5.45013 9.65149 numMergedOcc 0
23 mol 95 unq 0 iso 0 dist 8.13273 3.84897 8.27883 8.29852 6.59884 7.7152 numMergedOcc 0
24 mol 95 unq 1 iso 0 dist 8.29852 3.84897 7.7152 8.13273 6.59884 8.27883 numMergedOcc 0
25 mol 112 unq 0 iso 0 dist 6.5258 4.03471 4.22363 11.2833 6.34999 7.7988 numMergedOcc 0
26 mol 112 unq 1 iso 0 dist 6.5258 4.03471 4.22363 12.8884 6.72751 9.40824 numMergedOcc 0
27 mol 115 unq 0 iso 0 dist 5.22628 3.82475 6.39384 11.2519 7.69052 9.42082 numMergedOcc 0
28 mol 133 unq 0 iso 0 dist 8.29673 10.2739 8.26547 11.5292 5.61668 9.05342 numMergedOcc 0
29 mol 134 unq 0 iso 0 dist 8.75736 14.0091 9.00918 17.9377 14.069 9.10524 numMergedOcc 0
30 mol 134 unq 1 iso 0 dist 8.75736 15.5753 7.99477 15.6314 6.90348 5.35237 numMergedOcc 0
31 mol 134 unq 2 iso 0 dist 6.76166 9.88169 9.00918 15.8865 14.069 9.10524 numMergedOcc 0
32 mol 134 unq 3 iso 0 dist 6.76166 11.8593 7.99477 13.0826 6.90348 5.35237 numMergedOcc 0
33 mol 192 unq 0 iso 0 dist 6.44896 4.65378 5.64942 9.74252 5.76246 6.97962 numMergedOcc 0
34 mol 192 unq 1 iso 0 dist 6.44896 5.48435 7.43054 9.74252 5.76246 6.79229 numMergedOcc 0
35 mol 218 unq 0 iso 0 dist 9.85348 9.15328 7.33709 14.1454 4.72474 8.75536 numMergedOcc 0
36 mol 218 unq 1 iso 0 dist 9.85348 9.15328 7.33709 12.2392 5.61978 6.67404 numMergedOcc 0
37 mol 234 unq 0 iso 0 dist 8.9413 14.075 7.81215 16.0461 10.2693 5.64285 numMergedOcc 0
38 mol 234 unq 1 iso 0 dist 4.91961 4.84686 7.81215 7.14333 10.2693 5.64285 numMergedOcc 0
39 mol 234 unq 2 iso 0 dist 7.14333 4.84686 5.64285 4.91961 10.2693 7.81215 numMergedOcc 0
40 mol 235 unq 0 iso 0 dist 8.79626 9.92254 5.1823 10.0531 7.218 8.19317 numMergedOcc 0
41 mol 235 unq 1 iso 0 dist 8.79626 5.66713 5.70635 10.0531 7.218 6.29377 numMergedOcc 0
42 mol 238 unq 0 iso 0 dist 5.99187 13.6867 9.08509 14.765 10.1813 6.99888 numMergedOcc 0
43 mol 239 unq 0 iso 0 dist 6.92721 3.45727 6.73665 10.6009 11.347 9.34438 numMergedOcc 0
44 mol 239 unq 1 iso 0 dist 6.92721 3.45727 6.73665 12.0468 7.97994 9.35949 numMergedOcc 0
45 mol 259 unq 0 iso 0 dist 5.29682 5.13757 9.07743 6.20344 4.69778 7.66153 numMergedOcc 0
46 mol 259 unq 1 iso 0 dist 6.20344 5.13757 7.66153 5.29682 4.69778 9.07743 numMergedOcc 0
47 mol 267 unq 0 iso 0 dist 6.19138 6.43871 7.34981 10.8509 5.91646 8.8293 numMergedOcc 0
48 mol 267 unq 1 iso 0 dist 6.54381 5.40798 7.34981 11.0897 5.91646 8.8293 numMergedOcc 0
49 mol 277 unq 0 iso 0 dist 9.64889 15.23 8.9682 11.1337 11.8268 9.57499 numMergedOcc 0
50 mol 277 unq 1 iso 0 dist 9.64889 15.23 8.9682 12.6823 7.08227 5.46926 numMergedOcc 0
51 mol 277 unq 2 iso 0 dist 9.64889 15.0167 6.92711 12.6823 7.08227 5.13913 numMergedOcc 0
52 mol 277 unq 3 iso 0 dist 6.70123 15.3157 9.57499 13.8031 7.69449 5.46926 numMergedOcc 0
53 mol 277 unq 4 iso 0 dist 6.70123 15.3157 9.57499 15.6541 11.8268 8.9682 numMergedOcc 0
54 mol 280 unq 0 iso 0 dist 9.0021 9.81388 6.02353 14.0039 5.51836 6.86234 numMergedOcc 0
55 mol 292 unq 0 iso 0 dist 7.11081 5.37135 7.30758 13.7129 10.3106 9.9182 numMergedOcc 0
56 mol 292 unq 1 iso 0 dist 7.11081 5.37135 7.30758 13.7138 12.6861 9.10788 numMergedOcc 0
57 mol 292 unq 2 iso 0 dist 8.99442 6.17318 9.9182 12.3887 10.3106 7.30758 numMergedOcc 0
58 mol 292 unq 3 iso 0 dist 8.99442 6.17318 9.9182 10.2717 12.1693 9.10788 numMergedOcc 0
59 mol 292 unq 4 iso 0 dist 8.99442 4.77323 8.9221 10.2717 12.1693 8.85064 numMergedOcc 0
