0 mol 43 unq 0 iso 0 dist 9.23033 6.6796 6.6263 10.2523 6.75943 8.13395 5.31824 7.15901 7.05402 5.48048 numMergedOcc 0
1 mol 43 unq 0 iso 1 dist 9.23033 10.2523 6.75943 6.6796 6.6263 8.13395 5.31824 7.15901 5.48048 7.05402 numMergedOcc 0
2 mol 68 unq 0 iso 0 dist 6.37273 8.66168 9.8703 7.1369 7.39665 14.224 12.1527 8.05514 8.53692 15.0902 numMergedOcc 0
3 mol 68 unq 0 iso 1 dist 6.37273 7.1369 7.39665 8.66168 9.8703 14.224 12.1527 8.05514 15.0902 8.53692 numMergedOcc 0
4 mol 88 unq 0 iso 0 dist 6.89706 8.44462 7.51139 6.07226 7.80898 12.1547 5.03089 8.72458 9.14315 5.31226 numMergedOcc 0
5 mol 88 unq 0 iso 1 dist 6.89706 6.07226 7.80898 8.44462 7.51139 12.1547 5.03089 8.72458 5.31226 9.14315 numMergedOcc 0
6 mol 105 unq 0 iso 0 dist 9.11206 7.16724 9.16718 7.70748 7.94633 5.68291 12.4798 7.44838 7.33596 8.22667 numMergedOcc 0
7 mol 105 unq 0 iso 1 dist 9.11206 7.70748 7.94633 7.16724 9.16718 5.68291 12.4798 7.44838 8.22667 7.33596 numMergedOcc 0
8 mol 112 unq 0 iso 0 dist 9.58666 6.64056 7.7988 6.29647 9.40824 4.97527 8.28084 7.34602 7.83771 11.4843 numMergedOcc 0
9 mol 112 unq 0 iso 1 dist 9.58666 6.29647 9.40824 6.64056 7.7988 4.97527 8.28084 7.34602 11.4843 7.83771 numMergedOcc 0
10 mol 112 unq 1 iso 0 dist 9.58666 6.64056 7.7988 9.6717 4.22363 6.34999 8.28084 7.34602 7.83771 9.97869 numMergedOcc 0
11 mol 112 unq 1 iso 1 dist 9.58666 9.6717 4.22363 6.64056 7.7988 6.34999 8.28084 7.34602 9.97869 7.83771 numMergedOcc 0
12 mol 112 unq 1 iso 0 dist 9.58666 6.29647 9.40824 9.6717 4.22363 6.72751 8.28084 7.34602 11.4843 9.97869 numMergedOcc 0
13 mol 112 unq 1 iso 1 dist 9.58666 9.6717 4.22363 6.29647 9.40824 6.72751 8.28084 7.34602 9.97869 11.4843 numMergedOcc 0
14 mol 170 unq 0 iso 0 dist 8.95292 8.83341 9.08274 11.2005 9.51256 8.56034 4.77713 5.13268 5.95519 7.72147 numMergedOcc 0
15 mol 170 unq 0 iso 1 dist 8.95292 11.2005 9.51256 8.83341 9.08274 8.56034 4.77713 5.13268 7.72147 5.95519 numMergedOcc 0
16 mol 224 unq 0 iso 0 dist 8.83742 10.9485 8.08349 5.52688 9.78218 10.3613 12.1028 8.54702 4.59567 9.48743 numMergedOcc 0
17 mol 224 unq 0 iso 1 dist 8.83742 5.52688 9.78218 10.9485 8.08349 10.3613 12.1028 8.54702 9.48743 4.59567 numMergedOcc 0
18 mol 235 unq 0 iso 0 dist 8.31344 15.2767 8.19317 11.9322 5.1823 7.218 10.9906 9.11454 11.5211 6.65703 numMergedOcc 0
19 mol 235 unq 0 iso 1 dist 8.31344 11.9322 5.1823 15.2767 8.19317 7.218 10.9906 9.11454 6.65703 11.5211 numMergedOcc 0
20 mol 239 unq 0 iso 0 dist 7.69491 5.29737 6.73665 10.9704 9.34438 11.347 14.0929 8.88763 13.1624 5.75834 numMergedOcc 0
21 mol 239 unq 0 iso 1 dist 7.69491 10.9704 9.34438 5.29737 6.73665 11.347 14.0929 8.88763 5.75834 13.1624 numMergedOcc 0
22 mol 239 unq 1 iso 0 dist 7.69491 5.29737 6.73665 10.9704 9.34438 11.347 10.4935 6.43209 7.34872 7.5231 numMergedOcc 0
23 mol 239 unq 1 iso 1 dist 7.69491 10.9704 9.34438 5.29737 6.73665 11.347 10.4935 6.43209 7.5231 7.34872 numMergedOcc 0
24 mol 239 unq 2 iso 0 dist 7.69491 5.29737 6.73665 10.9704 9.34438 11.347 13.5016 8.48769 8.9361 14.4518 numMergedOcc 0
25 mol 239 unq 2 iso 1 dist 7.69491 10.9704 9.34438 5.29737 6.73665 11.347 13.5016 8.48769 14.4518 8.9361 numMergedOcc 0
26 mol 239 unq 3 iso 0 dist 7.69491 5.29737 6.73665 12.551 9.35949 7.97994 14.0929 8.88763 13.1624 10.7034 numMergedOcc 0
27 mol 239 unq 3 iso 1 dist 7.69491 12.551 9.35949 5.29737 6.73665 7.97994 14.0929 8.88763 10.7034 13.1624 numMergedOcc 0
28 mol 239 unq 4 iso 0 dist 7.69491 5.29737 6.73665 12.551 9.35949 7.97994 10.4935 6.43209 7.34872 4.15997 numMergedOcc 0
29 mol 239 unq 4 iso 1 dist 7.69491 12.551 9.35949 5.29737 6.73665 7.97994 10.4935 6.43209 4.15997 7.34872 numMergedOcc 0
30 mol 239 unq 5 iso 0 dist 7.69491 5.29737 6.73665 12.551 9.35949 7.97994 13.5016 8.48769 8.9361 5.66218 numMergedOcc 0
31 mol 239 unq 5 iso 1 dist 7.69491 12.551 9.35949 5.29737 6.73665 7.97994 13.5016 8.48769 5.66218 8.9361 numMergedOcc 0
32 mol 239 unq 3 iso 0 dist 7.69491 10.9704 9.34438 12.551 9.35949 11.2636 14.0929 8.88763 5.75834 10.7034 numMergedOcc 0
33 mol 239 unq 3 iso 1 dist 7.69491 12.551 9.35949 10.9704 9.34438 11.2636 14.0929 8.88763 10.7034 5.75834 numMergedOcc 0
34 mol 239 unq 4 iso 0 dist 7.69491 10.9704 9.34438 12.551 9.35949 11.2636 10.4935 6.43209 7.5231 4.15997 numMergedOcc 0
35 mol 239 unq 4 iso 1 dist 7.69491 12.551 9.35949 10.9704 9.34438 11.2636 10.4935 6.43209 4.15997 7.5231 numMergedOcc 0
36 mol 239 unq 5 iso 0 dist 7.69491 10.9704 9.34438 12.551 9.35949 11.2636 13.5016 8.48769 14.4518 5.66218 numMergedOcc 0
37 mol 239 unq 5 iso 1 dist 7.69491 12.551 9.35949 10.9704 9.34438 11.2636 13.5016 8.48769 5.66218 14.4518 numMergedOcc 0
38 mol 239 unq 6 iso 0 dist 6.64008 11.4465 6.73665 5.08687 9.34438 11.347 5.15966 8.88763 13.1624 5.75834 numMergedOcc 0
39 mol 239 unq 6 iso 1 dist 6.64008 5.08687 9.34438 11.4465 6.73665 11.347 5.15966 8.88763 5.75834 13.1624 numMergedOcc 0
40 mol 239 unq 7 iso 0 dist 6.64008 11.4465 6.73665 5.08687 9.34438 11.347 8.27455 6.43209 7.34872 7.5231 numMergedOcc 0
41 mol 239 unq 7 iso 1 dist 6.64008 5.08687 9.34438 11.4465 6.73665 11.347 8.27455 6.43209 7.5231 7.34872 numMergedOcc 0
42 mol 239 unq 8 iso 0 dist 6.64008 11.4465 6.73665 5.08687 9.34438 11.347 13.5505 8.48769 8.9361 14.4518 numMergedOcc 0
43 mol 239 unq 8 iso 1 dist 6.64008 5.08687 9.34438 11.4465 6.73665 11.347 13.5505 8.48769 14.4518 8.9361 numMergedOcc 0
44 mol 239 unq 9 iso 0 dist 6.64008 11.4465 6.73665 12.4215 9.35949 7.97994 5.15966 8.88763 13.1624 10.7034 numMergedOcc 0
45 mol 239 unq 9 iso 1 dist 6.64008 12.4215 9.35949 11.4465 6.73665 7.97994 5.15966 8.88763 10.7034 13.1624 numMergedOcc 0
46 mol 239 unq 10 iso 0 dist 6.64008 11.4465 6.73665 12.4215 9.35949 7.97994 8.27455 6.43209 7.34872 4.15997 numMergedOcc 0
47 mol 239 unq 10 iso 1 dist 6.64008 12.4215 9.35949 11.4465 6.73665 7.97994 8.27455 6.43209 4.15997 7.34872 numMergedOcc 0
48 mol 239 unq 11 iso 0 dist 6.64008 11.4465 6.73665 12.4215 9.35949 7.97994 13.5505 8.48769 8.9361 5.66218 numMergedOcc 0
49 mol 239 unq 11 iso 1 dist 6.64008 12.4215 9.35949 11.4465 6.73665 7.97994 13.5505 8.48769 5.66218 8.9361 numMergedOcc 0
50 mol 239 unq 9 iso 0 dist 6.64008 5.08687 9.34438 12.4215 9.35949 11.2636 5.15966 8.88763 5.75834 10.7034 numMergedOcc 0
51 mol 239 unq 9 iso 1 dist 6.64008 12.4215 9.35949 5.08687 9.34438 11.2636 5.15966 8.88763 10.7034 5.75834 numMergedOcc 0
52 mol 239 unq 10 iso 0 dist 6.64008 5.08687 9.34438 12.4215 9.35949 11.2636 8.27455 6.43209 7.5231 4.15997 numMergedOcc 0
53 mol 239 unq 10 iso 1 dist 6.64008 12.4215 9.35949 5.08687 9.34438 11.2636 8.27455 6.43209 4.15997 7.5231 numMergedOcc 0
54 mol 239 unq 11 iso 0 dist 6.64008 5.08687 9.34438 12.4215 9.35949 11.2636 13.5505 8.48769 14.4518 5.66218 numMergedOcc 0
55 mol 239 unq 11 iso 1 dist 6.64008 12.4215 9.35949 5.08687 9.34438 11.2636 13.5505 8.48769 5.66218 14.4518 numMergedOcc 0
56 mol 292 unq 0 iso 0 dist 7.02679 13.9754 9.9182 12.9146 7.30758 10.3106 9.18401 9.84946 16.2289 9.84292 numMergedOcc 0
57 mol 292 unq 0 iso 1 dist 7.02679 12.9146 7.30758 13.9754 9.9182 10.3106 9.18401 9.84946 9.84292 16.2289 numMergedOcc 0
58 mol 292 unq 1 iso 0 dist 7.02679 13.9754 9.9182 5.4258 9.10788 12.1693 9.18401 9.84946 16.2289 8.96137 numMergedOcc 0
59 mol 292 unq 1 iso 1 dist 7.02679 5.4258 9.10788 13.9754 9.9182 12.1693 9.18401 9.84946 8.96137 16.2289 numMergedOcc 0
60 mol 292 unq 1 iso 0 dist 7.02679 12.9146 7.30758 5.4258 9.10788 12.6861 9.18401 9.84946 9.84292 8.96137 numMergedOcc 0
61 mol 292 unq 1 iso 1 dist 7.02679 5.4258 9.10788 12.9146 7.30758 12.6861 9.18401 9.84946 8.96137 9.84292 numMergedOcc 0
