0 mol 24 unq 0 iso 0 dist 9.73647 7.26334 10.512 5.9372 13.9367 5.95865 numMergedOcc 0
1 mol 24 unq 0 iso 1 dist 7.26334 9.73647 10.512 5.9372 5.95865 13.9367 numMergedOcc 0
2 mol 24 unq 1 iso 0 dist 9.73647 7.26334 10.512 8.17583 13.1947 6.61332 numMergedOcc 0
3 mol 24 unq 1 iso 1 dist 7.26334 9.73647 10.512 8.17583 6.61332 13.1947 numMergedOcc 0
4 mol 24 unq 2 iso 0 dist 9.73647 5.78532 13.2892 5.9372 13.9367 3.33439 numMergedOcc 0
5 mol 24 unq 2 iso 1 dist 5.78532 9.73647 13.2892 5.9372 3.33439 13.9367 numMergedOcc 0
6 mol 24 unq 3 iso 0 dist 9.73647 5.78532 13.2892 8.17583 13.1947 3.64811 numMergedOcc 0
7 mol 24 unq 3 iso 1 dist 5.78532 9.73647 13.2892 8.17583 3.64811 13.1947 numMergedOcc 0
8 mol 24 unq 2 iso 0 dist 7.26334 5.78532 7.46758 5.9372 5.95865 3.33439 numMergedOcc 0
9 mol 24 unq 2 iso 1 dist 5.78532 7.26334 7.46758 5.9372 3.33439 5.95865 numMergedOcc 0
10 mol 24 unq 3 iso 0 dist 7.26334 5.78532 7.46758 8.17583 6.61332 3.64811 numMergedOcc 0
11 mol 24 unq 3 iso 1 dist 5.78532 7.26334 7.46758 8.17583 3.64811 6.61332 numMergedOcc 0
12 mol 24 unq 4 iso 0 dist 6.19899 8.49709 7.46758 7.03544 3.53396 10.8745 numMergedOcc 0
13 mol 24 unq 4 iso 1 dist 8.49709 6.19899 7.46758 7.03544 10.8745 3.53396 numMergedOcc 0
14 mol 24 unq 5 iso 0 dist 6.19899 8.49709 7.46758 6.93597 5.95865 3.33439 numMergedOcc 0
15 mol 24 unq 5 iso 1 dist 8.49709 6.19899 7.46758 6.93597 3.33439 5.95865 numMergedOcc 0
16 mol 24 unq 6 iso 0 dist 6.61696 5.80953 10.7501 7.85986 9.24731 11.1587 numMergedOcc 0
17 mol 24 unq 6 iso 1 dist 5.80953 6.61696 10.7501 7.85986 11.1587 9.24731 numMergedOcc 0
18 mol 24 unq 7 iso 0 dist 6.61696 5.80953 10.7501 4.30252 3.53396 8.72577 numMergedOcc 0
19 mol 24 unq 7 iso 1 dist 5.80953 6.61696 10.7501 4.30252 8.72577 3.53396 numMergedOcc 0
20 mol 39 unq 0 iso 0 dist 8.20298 6.13351 3.52812 9.02925 6.92307 7.52517 numMergedOcc 0
21 mol 39 unq 0 iso 1 dist 6.13351 8.20298 3.52812 9.02925 7.52517 6.92307 numMergedOcc 0
22 mol 58 unq 0 iso 0 dist 7.58739 9.01564 7.13086 6.41008 8.98585 10.5853 numMergedOcc 0
23 mol 58 unq 0 iso 1 dist 9.01564 7.58739 7.13086 6.41008 10.5853 8.98585 numMergedOcc 0
24 mol 58 unq 1 iso 0 dist 7.58739 7.11065 5.68445 6.41008 8.98585 5.11422 numMergedOcc 0
25 mol 58 unq 1 iso 1 dist 7.11065 7.58739 5.68445 6.41008 5.11422 8.98585 numMergedOcc 0
26 mol 58 unq 1 iso 0 dist 9.01564 7.11065 6.20884 6.41008 10.5853 5.11422 numMergedOcc 0
27 mol 58 unq 1 iso 1 dist 7.11065 9.01564 6.20884 6.41008 5.11422 10.5853 numMergedOcc 0
28 mol 79 unq 0 iso 0 dist 9.77084 6.5551 6.48468 7.56495 11.5615 10.2908 numMergedOcc 0
29 mol 79 unq 0 iso 1 dist 6.5551 9.77084 6.48468 7.56495 10.2908 11.5615 numMergedOcc 0
30 mol 79 unq 1 iso 0 dist 9.77084 6.5551 6.48468 7.63923 10.6375 7.19532 numMergedOcc 0
31 mol 79 unq 1 iso 1 dist 6.5551 9.77084 6.48468 7.63923 7.19532 10.6375 numMergedOcc 0
32 mol 79 unq 2 iso 0 dist 9.77084 6.5551 6.48468 8.23095 5.57609 8.58888 numMergedOcc 0
33 mol 79 unq 2 iso 1 dist 6.5551 9.77084 6.48468 8.23095 8.58888 5.57609 numMergedOcc 0
34 mol 83 unq 0 iso 0 dist 9.95355 9.69913 3.82203 8.99451 6.187 3.31218 numMergedOcc 0
35 mol 83 unq 0 iso 1 dist 9.69913 9.95355 3.82203 8.99451 3.31218 6.187 numMergedOcc 0
36 mol 85 unq 0 iso 0 dist 5.05893 5.71866 3.78063 8.04853 3.65186 7.00044 numMergedOcc 0
37 mol 85 unq 0 iso 1 dist 5.71866 5.05893 3.78063 8.04853 7.00044 3.65186 numMergedOcc 0
38 mol 85 unq 1 iso 0 dist 5.05893 5.71866 3.78063 6.46549 5.41777 5.85247 numMergedOcc 0
39 mol 85 unq 1 iso 1 dist 5.71866 5.05893 3.78063 6.46549 5.85247 5.41777 numMergedOcc 0
40 mol 92 unq 0 iso 0 dist 6.59716 6.87506 6.02822 9.69694 8.74506 3.70642 numMergedOcc 0
41 mol 92 unq 0 iso 1 dist 6.87506 6.59716 6.02822 9.69694 3.70642 8.74506 numMergedOcc 0
42 mol 141 unq 0 iso 0 dist 7.42144 6.27658 3.3724 4.92382 5.83839 3.7404 numMergedOcc 0
43 mol 141 unq 0 iso 1 dist 6.27658 7.42144 3.3724 4.92382 3.7404 5.83839 numMergedOcc 0
44 mol 160 unq 0 iso 0 dist 6.41119 9.08051 3.74754 9.19735 3.73121 5.58738 numMergedOcc 0
45 mol 160 unq 0 iso 1 dist 9.08051 6.41119 3.74754 9.19735 5.58738 3.73121 numMergedOcc 0
46 mol 169 unq 0 iso 0 dist 6.0859 6.05009 3.71099 7.85698 12.6492 13.7198 numMergedOcc 0
47 mol 169 unq 0 iso 1 dist 6.05009 6.0859 3.71099 7.85698 13.7198 12.6492 numMergedOcc 0
48 mol 169 unq 1 iso 0 dist 6.0859 6.05009 3.71099 8.75484 4.97137 3.33711 numMergedOcc 0
49 mol 169 unq 1 iso 1 dist 6.05009 6.0859 3.71099 8.75484 3.33711 4.97137 numMergedOcc 0
50 mol 186 unq 0 iso 0 dist 6.56416 6.88127 8.40937 7.37629 4.97041 4.75583 numMergedOcc 0
51 mol 186 unq 0 iso 1 dist 6.88127 6.56416 8.40937 7.37629 4.75583 4.97041 numMergedOcc 0
52 mol 186 unq 1 iso 0 dist 6.56416 6.88127 8.40937 5.68985 6.50779 3.11607 numMergedOcc 0
53 mol 186 unq 1 iso 1 dist 6.88127 6.56416 8.40937 5.68985 3.11607 6.50779 numMergedOcc 0
54 mol 194 unq 0 iso 0 dist 4.19371 9.71015 6.41254 8.43182 9.23342 11.7699 numMergedOcc 0
55 mol 194 unq 0 iso 1 dist 9.71015 4.19371 6.41254 8.43182 11.7699 9.23342 numMergedOcc 0
56 mol 214 unq 0 iso 0 dist 5.31416 5.44533 5.97842 5.05626 3.14057 7.87816 numMergedOcc 0
57 mol 214 unq 0 iso 1 dist 5.44533 5.31416 5.97842 5.05626 7.87816 3.14057 numMergedOcc 0
58 mol 214 unq 1 iso 0 dist 5.31416 5.44533 5.97842 8.41013 8.88633 3.64285 numMergedOcc 0
59 mol 214 unq 1 iso 1 dist 5.44533 5.31416 5.97842 8.41013 3.64285 8.88633 numMergedOcc 0
60 mol 260 unq 0 iso 0 dist 6.75725 9.31888 14.374 6.49413 8.04546 7.35802 numMergedOcc 0
61 mol 260 unq 0 iso 1 dist 9.31888 6.75725 14.374 6.49413 7.35802 8.04546 numMergedOcc 0
62 mol 260 unq 1 iso 0 dist 6.75725 9.31888 14.374 6.12343 8.22506 9.94995 numMergedOcc 0
63 mol 260 unq 1 iso 1 dist 9.31888 6.75725 14.374 6.12343 9.94995 8.22506 numMergedOcc 0
64 mol 260 unq 2 iso 0 dist 6.75725 9.31888 14.374 4.52405 3.68866 12.8784 numMergedOcc 0
65 mol 260 unq 2 iso 1 dist 9.31888 6.75725 14.374 4.52405 12.8784 3.68866 numMergedOcc 0
66 mol 273 unq 0 iso 0 dist 7.85836 6.35532 4.80896 9.81919 7.37764 7.04946 numMergedOcc 0
67 mol 273 unq 0 iso 1 dist 6.35532 7.85836 4.80896 9.81919 7.04946 7.37764 numMergedOcc 0
