0 mol 0 unq 0 iso 0 dist 8.24206 6.19218 9.98828 9.56842 7.30381 11.9766 numMergedOcc 0
1 mol 2 unq 0 iso 0 dist 9.08872 9.74371 6.23988 5.30739 9.9859 9.57674 numMergedOcc 0
2 mol 2 unq 1 iso 0 dist 9.74371 9.08872 6.23988 5.30739 9.57674 9.9859 numMergedOcc 0
3 mol 2 unq 2 iso 0 dist 7.37296 6.15195 6.80804 15.0954 9.9859 15.2218 numMergedOcc 0
4 mol 7 unq 0 iso 0 dist 8.0166 9.32945 5.63739 11.8191 5.27578 8.94586 numMergedOcc 0
5 mol 7 unq 1 iso 0 dist 8.0166 9.90117 10.2796 11.8191 5.27578 13.9391 numMergedOcc 0
6 mol 7 unq 2 iso 0 dist 9.32945 8.0166 5.63739 11.8191 8.94586 5.27578 numMergedOcc 0
7 mol 7 unq 3 iso 0 dist 9.32945 9.90117 5.38328 11.8191 8.94586 13.9391 numMergedOcc 0
8 mol 12 unq 0 iso 0 dist 5.9021 8.98466 12.3127 7.81704 4.49007 15.7238 numMergedOcc 0
9 mol 38 unq 0 iso 0 dist 5.86972 7.55357 9.56267 5.60016 9.18985 11.5789 numMergedOcc 0
10 mol 48 unq 0 iso 0 dist 6.04551 6.31161 9.46719 11.3175 7.78475 14.9331 numMergedOcc 0
11 mol 48 unq 1 iso 0 dist 6.01454 8.36915 8.29103 10.7098 6.99001 13.0397 numMergedOcc 0
12 mol 61 unq 0 iso 0 dist 8.30431 4.628 8.0979 10.8154 9.32664 10.5121 numMergedOcc 0
13 mol 64 unq 0 iso 0 dist 8.14932 6.17846 8.91253 10.713 8.8633 14.0535 numMergedOcc 0
14 mol 69 unq 0 iso 0 dist 3.87167 7.09393 3.83043 7.14194 9.99691 11.3628 numMergedOcc 0
15 mol 73 unq 0 iso 0 dist 8.60363 5.39171 5.05066 15.52 9.53327 14.2184 numMergedOcc 0
16 mol 73 unq 1 iso 0 dist 8.60363 9.27355 4.4628 15.52 9.53327 12.4862 numMergedOcc 0
17 mol 108 unq 0 iso 0 dist 9.32474 8.80334 6.45014 9.54469 6.80069 12.2332 numMergedOcc 0
18 mol 133 unq 0 iso 0 dist 7.50126 5.12189 11.0817 6.52556 8.70392 11.4437 numMergedOcc 0
19 mol 175 unq 0 iso 0 dist 6.21546 8.6609 6.77498 10.3139 9.27911 12.4201 numMergedOcc 0
20 mol 175 unq 1 iso 0 dist 6.21546 8.6609 6.77498 7.04147 8.57607 10.7245 numMergedOcc 0
21 mol 175 unq 2 iso 0 dist 6.21546 6.03184 7.01839 10.3139 9.27911 13.2069 numMergedOcc 0
22 mol 175 unq 3 iso 0 dist 6.21546 6.03184 7.01839 7.04147 8.57607 11.4305 numMergedOcc 0
23 mol 184 unq 0 iso 0 dist 9.45847 7.895 17.2664 8.78943 5.0207 15.7817 numMergedOcc 0
24 mol 199 unq 0 iso 0 dist 9.88917 9.56785 10.3162 8.14324 9.43695 8.32753 numMergedOcc 0
25 mol 199 unq 1 iso 0 dist 9.56785 9.88917 10.3162 8.14324 8.32753 9.43695 numMergedOcc 0
26 mol 205 unq 0 iso 0 dist 9.68829 9.085 9.21051 10.2119 9.28818 16.1207 numMergedOcc 0
27 mol 206 unq 0 iso 0 dist 8.63033 8.02214 7.07077 4.77368 6.69623 6.21951 numMergedOcc 0
28 mol 206 unq 1 iso 0 dist 8.02214 8.63033 7.07077 4.77368 6.21951 6.69623 numMergedOcc 0
29 mol 210 unq 0 iso 0 dist 6.24111 8.60412 9.07869 6.15611 8.87054 14.1377 numMergedOcc 0
30 mol 210 unq 1 iso 0 dist 9.00343 7.05535 9.07869 10.7435 8.87054 14.1377 numMergedOcc 0
31 mol 214 unq 0 iso 0 dist 7.25293 9.81136 9.46821 5.30923 7.43301 13.9681 numMergedOcc 0
32 mol 223 unq 0 iso 0 dist 7.80764 9.29204 16.0208 10.5593 6.64193 19.6879 numMergedOcc 0
33 mol 223 unq 1 iso 0 dist 7.80764 9.14789 16.2327 10.5593 6.64193 18.5863 numMergedOcc 0
34 mol 223 unq 2 iso 0 dist 7.80764 5.75896 7.12929 10.5593 6.64193 11.867 numMergedOcc 0
35 mol 223 unq 3 iso 0 dist 5.75896 9.29204 11.898 5.64061 8.12403 13.2677 numMergedOcc 0
36 mol 223 unq 4 iso 0 dist 5.75896 9.14789 13.5741 5.64061 8.12403 12.568 numMergedOcc 0
37 mol 223 unq 5 iso 0 dist 5.75896 7.80764 7.12929 5.64061 8.12403 10.0535 numMergedOcc 0
38 mol 224 unq 0 iso 0 dist 6.6537 9.08719 11.6002 6.66792 6.48885 15.2008 numMergedOcc 0
39 mol 233 unq 0 iso 0 dist 7.21238 6.72499 5.21384 13.608 9.97082 15.006 numMergedOcc 0
40 mol 241 unq 0 iso 0 dist 7.41298 9.99337 6.59047 3.86604 8.43762 9.39754 numMergedOcc 0
41 mol 241 unq 1 iso 0 dist 9.99337 7.41298 6.59047 3.86604 9.39754 8.43762 numMergedOcc 0
42 mol 250 unq 0 iso 0 dist 8.18086 8.38141 12.269 8.5106 5.99119 14.6626 numMergedOcc 0
43 mol 250 unq 1 iso 0 dist 8.18086 5.08366 9.8248 8.5106 5.99119 12.5245 numMergedOcc 0
44 mol 266 unq 0 iso 0 dist 6.58277 9.63694 15.3443 14.2081 9.45876 23.7833 numMergedOcc 0
45 mol 266 unq 1 iso 0 dist 8.42706 8.61786 11.4983 16.3962 9.45876 18.6424 numMergedOcc 0
46 mol 274 unq 0 iso 0 dist 9.07452 7.21004 10.3541 16.1753 8.30714 14.6318 numMergedOcc 0
47 mol 274 unq 1 iso 0 dist 6.44266 8.75703 10.3541 7.28382 8.30714 14.6318 numMergedOcc 0
48 mol 279 unq 0 iso 0 dist 8.78203 5.78017 10.71 14.4524 8.16582 17.9117 numMergedOcc 0
49 mol 279 unq 1 iso 0 dist 9.98985 7.22295 8.47795 10.2995 6.12347 12.5966 numMergedOcc 0
50 mol 279 unq 2 iso 0 dist 9.98985 7.22295 8.47795 5.10287 8.79637 8.88458 numMergedOcc 0
51 mol 279 unq 3 iso 0 dist 7.22295 9.98985 8.47795 5.10287 8.88458 8.79637 numMergedOcc 0
52 mol 285 unq 0 iso 0 dist 8.63954 4.74716 6.55738 5.52409 6.29045 7.24072 numMergedOcc 0
53 mol 285 unq 1 iso 0 dist 4.74716 8.63954 6.55738 6.15563 8.7964 11.2232 numMergedOcc 0
54 mol 285 unq 2 iso 0 dist 4.74716 8.63954 6.55738 5.52409 7.24072 6.29045 numMergedOcc 0
