0 mol 45 unq 0 iso 0 dist 8.99855 6.4953 9.43442 5.17347 9.53378 8.70414 numMergedOcc 0
1 mol 73 unq 0 iso 0 dist 9.51073 8.14115 7.13087 13.5139 6.02816 6.93907 numMergedOcc 0
2 mol 73 unq 1 iso 0 dist 7.995 3.99978 7.13087 5.63407 6.02816 6.93907 numMergedOcc 0
3 mol 92 unq 0 iso 0 dist 7.66368 8.22938 7.96555 4.45164 5.37007 6.85455 numMergedOcc 0
4 mol 100 unq 0 iso 0 dist 7.92708 11.5994 6.58204 6.32568 7.01812 10.0891 numMergedOcc 0
5 mol 100 unq 1 iso 0 dist 5.1385 11.5994 7.75343 6.32568 8.30845 10.0891 numMergedOcc 0
6 mol 100 unq 2 iso 0 dist 5.1385 11.5994 7.75343 13.341 8.76378 4.44538 numMergedOcc 0
7 mol 100 unq 3 iso 0 dist 4.86758 13.5255 8.72704 8.26794 7.38135 11.0949 numMergedOcc 0
8 mol 114 unq 0 iso 0 dist 9.46144 7.04769 8.71128 5.28631 6.84011 9.23527 numMergedOcc 0
9 mol 117 unq 0 iso 0 dist 8.34279 10.7127 7.20326 9.65554 7.70232 9.79891 numMergedOcc 0
10 mol 117 unq 1 iso 0 dist 8.34279 10.7127 7.20326 12.5317 7.4671 9.97229 numMergedOcc 0
11 mol 117 unq 2 iso 0 dist 5.06108 7.99558 7.20326 4.21545 7.70232 9.79891 numMergedOcc 0
12 mol 117 unq 3 iso 0 dist 5.06108 7.99558 7.20326 6.72229 7.4671 9.97229 numMergedOcc 0
13 mol 117 unq 4 iso 0 dist 8.51518 6.04297 7.20326 7.68622 7.70232 9.79891 numMergedOcc 0
14 mol 117 unq 5 iso 0 dist 8.51518 6.04297 7.20326 10.2611 7.4671 9.97229 numMergedOcc 0
15 mol 131 unq 0 iso 0 dist 9.82508 5.2907 6.91348 13.1547 8.70296 9.93183 numMergedOcc 0
16 mol 131 unq 1 iso 0 dist 9.82508 5.2907 6.91348 9.05974 9.25558 5.90177 numMergedOcc 0
17 mol 131 unq 2 iso 0 dist 9.82508 13.4046 9.51418 13.1547 8.70296 16.5048 numMergedOcc 0
18 mol 131 unq 3 iso 0 dist 9.82508 13.4046 9.51418 9.05974 9.25558 5.70899 numMergedOcc 0
19 mol 163 unq 0 iso 0 dist 8.71107 9.1734 9.19209 5.49772 9.69121 6.84883 numMergedOcc 0
20 mol 175 unq 0 iso 0 dist 9.91541 13.2417 9.52634 6.38977 9.39352 7.60254 numMergedOcc 0
21 mol 213 unq 0 iso 0 dist 8.44476 13.3708 6.0965 15.792 7.37798 6.17282 numMergedOcc 0
22 mol 213 unq 1 iso 0 dist 8.44476 13.3708 6.0965 7.66404 7.73322 10.5013 numMergedOcc 0
23 mol 213 unq 2 iso 0 dist 8.44476 13.4229 9.59129 15.792 7.37798 12.1116 numMergedOcc 0
24 mol 213 unq 3 iso 0 dist 8.44476 13.4229 9.59129 7.66404 7.73322 9.93085 numMergedOcc 0
25 mol 232 unq 0 iso 0 dist 8.58719 4.39953 7.07392 10.0667 8.50102 10.9886 numMergedOcc 0
26 mol 232 unq 1 iso 0 dist 9.64301 4.45663 7.07392 14.6567 8.50102 10.9886 numMergedOcc 0
27 mol 240 unq 0 iso 0 dist 7.46026 4.21987 6.15305 7.47497 6.68687 9.66581 numMergedOcc 0
28 mol 240 unq 1 iso 0 dist 7.46026 9.78098 8.0951 7.47497 6.68687 7.03039 numMergedOcc 0
29 mol 274 unq 0 iso 0 dist 7.70206 8.65683 9.19234 5.40393 9.45514 12.625 numMergedOcc 0
30 mol 274 unq 1 iso 0 dist 7.70206 8.65683 9.19234 6.04926 6.39866 4.60275 numMergedOcc 0
31 mol 292 unq 0 iso 0 dist 7.89177 4.97303 9.454 9.21201 7.83341 6.93991 numMergedOcc 0
32 mol 292 unq 1 iso 0 dist 8.30524 9.61327 9.454 12.6199 7.83341 6.93991 numMergedOcc 0
