0 mol 92 unq 0 iso 0 dist 9.48388 7.72576 7.06939 12.5542 6.9223 6.08245 9.5868 6.87506 9.44576 8.67827 numMergedOcc 0
1 mol 92 unq 1 iso 0 dist 9.48388 7.72576 7.06939 12.4705 7.0561 6.86728 9.5868 6.87506 9.44576 13.0818 numMergedOcc 0
2 mol 105 unq 0 iso 0 dist 9.11206 7.16724 9.16718 12.4798 7.44838 7.33596 15.02 7.77089 11.0132 4.22355 numMergedOcc 0
3 mol 105 unq 1 iso 0 dist 9.11206 7.70748 7.94633 12.4798 7.44838 8.22667 15.02 7.77089 9.96719 4.22355 numMergedOcc 0
4 mol 112 unq 0 iso 0 dist 9.58666 6.64056 7.7988 8.28084 7.34602 7.83771 11.8321 8.06134 6.41459 12.2538 numMergedOcc 0
5 mol 112 unq 1 iso 0 dist 9.58666 6.64056 7.7988 8.28084 7.34602 7.83771 12.465 5.36587 7.64054 8.49846 numMergedOcc 0
6 mol 112 unq 2 iso 0 dist 9.58666 6.29647 9.40824 8.28084 7.34602 11.4843 11.8321 8.06134 7.18484 12.2538 numMergedOcc 0
7 mol 112 unq 3 iso 0 dist 9.58666 6.29647 9.40824 8.28084 7.34602 11.4843 12.465 5.36587 10.9474 8.49846 numMergedOcc 0
8 mol 112 unq 4 iso 0 dist 9.58666 9.6717 4.22363 8.28084 7.34602 9.97869 11.8321 8.06134 4.35926 12.2538 numMergedOcc 0
9 mol 112 unq 5 iso 0 dist 9.58666 9.6717 4.22363 8.28084 7.34602 9.97869 12.465 5.36587 5.76098 8.49846 numMergedOcc 0
10 mol 143 unq 0 iso 0 dist 5.44814 5.4432 5.37047 12.2045 8.612 9.23795 6.48478 5.06564 6.48978 6.60479 numMergedOcc 0
11 mol 143 unq 1 iso 0 dist 5.44814 5.4432 5.37047 12.2045 8.612 9.23795 7.09076 7.5373 5.20762 7.54337 numMergedOcc 0
12 mol 170 unq 0 iso 0 dist 8.95292 8.83341 9.08274 4.77713 5.13268 5.95519 11.6623 6.47164 9.275 7.29587 numMergedOcc 0
13 mol 170 unq 1 iso 0 dist 8.95292 8.83341 9.08274 4.77713 5.13268 5.95519 10.9608 9.65126 12.5696 8.73585 numMergedOcc 0
14 mol 170 unq 2 iso 0 dist 8.95292 11.2005 9.51256 4.77713 5.13268 7.72147 11.6623 6.47164 4.34698 7.29587 numMergedOcc 0
15 mol 170 unq 3 iso 0 dist 8.95292 11.2005 9.51256 4.77713 5.13268 7.72147 10.9608 9.65126 5.75144 8.73585 numMergedOcc 0
16 mol 224 unq 0 iso 0 dist 8.83742 10.9485 8.08349 12.1028 8.54702 4.59567 6.47466 5.05368 10.7174 10.0385 numMergedOcc 0
17 mol 224 unq 1 iso 0 dist 8.83742 5.52688 9.78218 12.1028 8.54702 9.48743 6.47466 5.05368 6.51732 10.0385 numMergedOcc 0
18 mol 235 unq 0 iso 0 dist 8.31344 15.2767 8.19317 10.9906 9.11454 11.5211 13.3219 8.97952 6.82855 5.92143 numMergedOcc 0
19 mol 235 unq 1 iso 0 dist 8.31344 11.9322 5.1823 10.9906 9.11454 6.65703 13.3219 8.97952 6.46722 5.92143 numMergedOcc 0
20 mol 239 unq 0 iso 0 dist 7.69491 5.29737 6.73665 14.0929 8.88763 13.1624 13.0625 8.95511 11.169 16.7674 numMergedOcc 0
21 mol 239 unq 1 iso 0 dist 7.69491 5.29737 6.73665 14.0929 8.88763 13.1624 4.88461 5.85002 5.88931 9.48848 numMergedOcc 0
22 mol 239 unq 2 iso 0 dist 7.69491 5.29737 6.73665 10.4935 6.43209 7.34872 13.0625 8.95511 11.169 13.3917 numMergedOcc 0
23 mol 239 unq 3 iso 0 dist 7.69491 5.29737 6.73665 10.4935 6.43209 7.34872 4.88461 5.85002 5.88931 6.77384 numMergedOcc 0
24 mol 239 unq 4 iso 0 dist 7.69491 5.29737 6.73665 13.5016 8.48769 8.9361 13.0625 8.95511 11.169 9.38172 numMergedOcc 0
25 mol 239 unq 5 iso 0 dist 7.69491 5.29737 6.73665 13.5016 8.48769 8.9361 4.88461 5.85002 5.88931 11.9537 numMergedOcc 0
26 mol 239 unq 6 iso 0 dist 7.69491 10.9704 9.34438 14.0929 8.88763 5.75834 13.0625 8.95511 18.2672 16.7674 numMergedOcc 0
27 mol 239 unq 7 iso 0 dist 7.69491 10.9704 9.34438 14.0929 8.88763 5.75834 4.88461 5.85002 6.22471 9.48848 numMergedOcc 0
28 mol 239 unq 8 iso 0 dist 7.69491 10.9704 9.34438 10.4935 6.43209 7.5231 13.0625 8.95511 18.2672 13.3917 numMergedOcc 0
29 mol 239 unq 9 iso 0 dist 7.69491 10.9704 9.34438 10.4935 6.43209 7.5231 4.88461 5.85002 6.22471 6.77384 numMergedOcc 0
30 mol 239 unq 10 iso 0 dist 7.69491 10.9704 9.34438 13.5016 8.48769 14.4518 13.0625 8.95511 18.2672 9.38172 numMergedOcc 0
31 mol 239 unq 11 iso 0 dist 7.69491 10.9704 9.34438 13.5016 8.48769 14.4518 4.88461 5.85002 6.22471 11.9537 numMergedOcc 0
32 mol 239 unq 12 iso 0 dist 7.69491 12.551 9.35949 14.0929 8.88763 10.7034 13.0625 8.95511 13.9678 16.7674 numMergedOcc 0
33 mol 239 unq 13 iso 0 dist 7.69491 12.551 9.35949 14.0929 8.88763 10.7034 4.88461 5.85002 9.88845 9.48848 numMergedOcc 0
34 mol 239 unq 14 iso 0 dist 7.69491 12.551 9.35949 10.4935 6.43209 4.15997 13.0625 8.95511 13.9678 13.3917 numMergedOcc 0
35 mol 239 unq 15 iso 0 dist 7.69491 12.551 9.35949 10.4935 6.43209 4.15997 4.88461 5.85002 9.88845 6.77384 numMergedOcc 0
36 mol 239 unq 16 iso 0 dist 7.69491 12.551 9.35949 13.5016 8.48769 5.66218 13.0625 8.95511 13.9678 9.38172 numMergedOcc 0
37 mol 239 unq 17 iso 0 dist 7.69491 12.551 9.35949 13.5016 8.48769 5.66218 4.88461 5.85002 9.88845 11.9537 numMergedOcc 0
38 mol 239 unq 18 iso 0 dist 6.64008 11.4465 6.73665 5.15966 8.88763 13.1624 15.1473 8.95511 11.169 16.7674 numMergedOcc 0
39 mol 239 unq 19 iso 0 dist 6.64008 11.4465 6.73665 5.15966 8.88763 13.1624 6.62656 5.85002 5.88931 9.48848 numMergedOcc 0
40 mol 239 unq 20 iso 0 dist 6.64008 11.4465 6.73665 8.27455 6.43209 7.34872 15.1473 8.95511 11.169 13.3917 numMergedOcc 0
41 mol 239 unq 21 iso 0 dist 6.64008 11.4465 6.73665 8.27455 6.43209 7.34872 6.62656 5.85002 5.88931 6.77384 numMergedOcc 0
42 mol 239 unq 22 iso 0 dist 6.64008 11.4465 6.73665 13.5505 8.48769 8.9361 15.1473 8.95511 11.169 9.38172 numMergedOcc 0
43 mol 239 unq 23 iso 0 dist 6.64008 11.4465 6.73665 13.5505 8.48769 8.9361 6.62656 5.85002 5.88931 11.9537 numMergedOcc 0
44 mol 239 unq 24 iso 0 dist 6.64008 5.08687 9.34438 5.15966 8.88763 5.75834 15.1473 8.95511 18.2672 16.7674 numMergedOcc 0
45 mol 239 unq 25 iso 0 dist 6.64008 5.08687 9.34438 5.15966 8.88763 5.75834 6.62656 5.85002 6.22471 9.48848 numMergedOcc 0
46 mol 239 unq 26 iso 0 dist 6.64008 5.08687 9.34438 8.27455 6.43209 7.5231 15.1473 8.95511 18.2672 13.3917 numMergedOcc 0
47 mol 239 unq 27 iso 0 dist 6.64008 5.08687 9.34438 8.27455 6.43209 7.5231 6.62656 5.85002 6.22471 6.77384 numMergedOcc 0
48 mol 239 unq 28 iso 0 dist 6.64008 5.08687 9.34438 13.5505 8.48769 14.4518 15.1473 8.95511 18.2672 9.38172 numMergedOcc 0
49 mol 239 unq 29 iso 0 dist 6.64008 5.08687 9.34438 13.5505 8.48769 14.4518 6.62656 5.85002 6.22471 11.9537 numMergedOcc 0
50 mol 239 unq 30 iso 0 dist 6.64008 12.4215 9.35949 5.15966 8.88763 10.7034 15.1473 8.95511 13.9678 16.7674 numMergedOcc 0
51 mol 239 unq 31 iso 0 dist 6.64008 12.4215 9.35949 5.15966 8.88763 10.7034 6.62656 5.85002 9.88845 9.48848 numMergedOcc 0
52 mol 239 unq 32 iso 0 dist 6.64008 12.4215 9.35949 8.27455 6.43209 4.15997 15.1473 8.95511 13.9678 13.3917 numMergedOcc 0
53 mol 239 unq 33 iso 0 dist 6.64008 12.4215 9.35949 8.27455 6.43209 4.15997 6.62656 5.85002 9.88845 6.77384 numMergedOcc 0
54 mol 239 unq 34 iso 0 dist 6.64008 12.4215 9.35949 13.5505 8.48769 5.66218 15.1473 8.95511 13.9678 9.38172 numMergedOcc 0
55 mol 239 unq 35 iso 0 dist 6.64008 12.4215 9.35949 13.5505 8.48769 5.66218 6.62656 5.85002 9.88845 11.9537 numMergedOcc 0
56 mol 252 unq 0 iso 0 dist 4.54745 5.26867 7.15764 12.7164 9.39658 13.9054 5.53685 8.09509 6.35641 17.2823 numMergedOcc 0
57 mol 252 unq 1 iso 0 dist 4.54745 5.26867 7.15764 7.37634 5.9974 7.63376 5.53685 8.09509 6.35641 12.0545 numMergedOcc 0
58 mol 273 unq 0 iso 0 dist 5.63226 9.45651 6.31969 7.32607 5.4307 5.9476 6.30473 5.61969 7.81483 9.76492 numMergedOcc 0
59 mol 273 unq 1 iso 0 dist 5.63226 9.45651 6.31969 7.32607 5.4307 5.9476 8.96178 9.0277 7.92179 11.5256 numMergedOcc 0
60 mol 279 unq 0 iso 0 dist 8.9352 5.34376 6.35028 7.91886 5.81528 6.15987 13.4771 7.17958 12.6502 8.43508 numMergedOcc 0
61 mol 279 unq 1 iso 0 dist 5.8845 5.86731 6.35028 9.00832 5.81528 6.15987 12.7014 7.17958 12.6502 8.43508 numMergedOcc 0
