0 mol 10 unq 0 iso 0 dist 7.99404 5.43912 9.75001 6.23648 9.06457 5.20174 numMergedOcc 0
1 mol 10 unq 0 iso 1 dist 7.99404 6.23648 9.06457 5.43912 9.75001 5.20174 numMergedOcc 0
2 mol 20 unq 0 iso 0 dist 9.35248 4.90916 7.61139 6.3965 6.54552 5.28474 numMergedOcc 0
3 mol 20 unq 0 iso 1 dist 9.35248 6.3965 6.54552 4.90916 7.61139 5.28474 numMergedOcc 0
4 mol 20 unq 1 iso 0 dist 9.55415 9.45728 7.61139 4.76485 6.54552 5.28474 numMergedOcc 0
5 mol 20 unq 1 iso 1 dist 9.55415 4.76485 6.54552 9.45728 7.61139 5.28474 numMergedOcc 0
6 mol 53 unq 0 iso 0 dist 9.33754 6.34428 9.90852 7.45484 9.31516 10.8877 numMergedOcc 0
7 mol 53 unq 0 iso 1 dist 9.33754 7.45484 9.31516 6.34428 9.90852 10.8877 numMergedOcc 0
8 mol 73 unq 0 iso 0 dist 6.36178 3.37815 5.79157 10.0381 7.91605 9.76138 numMergedOcc 0
9 mol 73 unq 0 iso 1 dist 6.36178 10.0381 7.91605 3.37815 5.79157 9.76138 numMergedOcc 0
10 mol 73 unq 1 iso 0 dist 6.36178 3.37815 5.79157 5.09707 6.43707 5.81659 numMergedOcc 0
11 mol 73 unq 1 iso 1 dist 6.36178 5.09707 6.43707 3.37815 5.79157 5.81659 numMergedOcc 0
12 mol 73 unq 1 iso 0 dist 6.36178 10.0381 7.91605 5.09707 6.43707 5.30471 numMergedOcc 0
13 mol 73 unq 1 iso 1 dist 6.36178 5.09707 6.43707 10.0381 7.91605 5.30471 numMergedOcc 0
14 mol 88 unq 0 iso 0 dist 9.4046 7.32542 5.9443 11.423 9.16708 5.15063 numMergedOcc 0
15 mol 88 unq 0 iso 1 dist 9.4046 11.423 9.16708 7.32542 5.9443 5.15063 numMergedOcc 0
16 mol 98 unq 0 iso 0 dist 6.69328 3.70122 9.85653 3.79201 6.7188 6.78942 numMergedOcc 0
17 mol 98 unq 0 iso 1 dist 6.69328 3.79201 6.7188 3.70122 9.85653 6.78942 numMergedOcc 0
18 mol 162 unq 0 iso 0 dist 8.77869 13.5522 9.95076 12.6287 7.76112 3.77838 numMergedOcc 0
19 mol 162 unq 0 iso 1 dist 8.77869 12.6287 7.76112 13.5522 9.95076 3.77838 numMergedOcc 0
20 mol 186 unq 0 iso 0 dist 9.71223 3.6848 9.82338 5.33968 7.99933 6.09215 numMergedOcc 0
21 mol 186 unq 0 iso 1 dist 9.71223 5.33968 7.99933 3.6848 9.82338 6.09215 numMergedOcc 0
22 mol 222 unq 0 iso 0 dist 6.74371 7.07952 5.07975 4.6646 4.85015 3.58181 numMergedOcc 0
23 mol 222 unq 0 iso 1 dist 6.74371 4.6646 4.85015 7.07952 5.07975 3.58181 numMergedOcc 0
24 mol 222 unq 1 iso 0 dist 6.74371 7.07952 5.07975 3.6886 8.15345 8.23638 numMergedOcc 0
25 mol 222 unq 1 iso 1 dist 6.74371 3.6886 8.15345 7.07952 5.07975 8.23638 numMergedOcc 0
26 mol 222 unq 2 iso 0 dist 6.74371 7.07952 5.07975 4.90032 5.71304 9.03919 numMergedOcc 0
27 mol 222 unq 2 iso 1 dist 6.74371 4.90032 5.71304 7.07952 5.07975 9.03919 numMergedOcc 0
28 mol 222 unq 1 iso 0 dist 6.74371 4.6646 4.85015 3.6886 8.15345 4.79329 numMergedOcc 0
29 mol 222 unq 1 iso 1 dist 6.74371 3.6886 8.15345 4.6646 4.85015 4.79329 numMergedOcc 0
30 mol 222 unq 2 iso 0 dist 6.74371 4.6646 4.85015 4.90032 5.71304 7.3861 numMergedOcc 0
31 mol 222 unq 2 iso 1 dist 6.74371 4.90032 5.71304 4.6646 4.85015 7.3861 numMergedOcc 0
32 mol 222 unq 2 iso 0 dist 6.74371 3.6886 8.15345 4.90032 5.71304 7.3463 numMergedOcc 0
33 mol 222 unq 2 iso 1 dist 6.74371 4.90032 5.71304 3.6886 8.15345 7.3463 numMergedOcc 0
34 mol 292 unq 0 iso 0 dist 8.92332 10.9968 7.02131 12.7808 6.79765 3.52904 numMergedOcc 0
35 mol 292 unq 0 iso 1 dist 8.92332 12.7808 6.79765 10.9968 7.02131 3.52904 numMergedOcc 0
36 mol 292 unq 1 iso 0 dist 8.92332 10.9968 7.02131 9.55943 6.13272 5.93352 numMergedOcc 0
37 mol 292 unq 1 iso 1 dist 8.92332 9.55943 6.13272 10.9968 7.02131 5.93352 numMergedOcc 0
38 mol 292 unq 2 iso 0 dist 8.92332 10.9968 7.02131 6.65781 7.02679 7.95391 numMergedOcc 0
39 mol 292 unq 2 iso 1 dist 8.92332 6.65781 7.02679 10.9968 7.02131 7.95391 numMergedOcc 0
40 mol 292 unq 3 iso 0 dist 8.92332 10.9968 7.02131 4.00064 9.08889 10.888 numMergedOcc 0
41 mol 292 unq 3 iso 1 dist 8.92332 4.00064 9.08889 10.9968 7.02131 10.888 numMergedOcc 0
42 mol 292 unq 1 iso 0 dist 8.92332 12.7808 6.79765 9.55943 6.13272 4.99426 numMergedOcc 0
43 mol 292 unq 1 iso 1 dist 8.92332 9.55943 6.13272 12.7808 6.79765 4.99426 numMergedOcc 0
44 mol 292 unq 2 iso 0 dist 8.92332 12.7808 6.79765 6.65781 7.02679 8.21724 numMergedOcc 0
45 mol 292 unq 2 iso 1 dist 8.92332 6.65781 7.02679 12.7808 6.79765 8.21724 numMergedOcc 0
46 mol 292 unq 3 iso 0 dist 8.92332 12.7808 6.79765 4.00064 9.08889 13.253 numMergedOcc 0
47 mol 292 unq 3 iso 1 dist 8.92332 4.00064 9.08889 12.7808 6.79765 13.253 numMergedOcc 0
48 mol 292 unq 2 iso 0 dist 8.92332 9.55943 6.13272 6.65781 7.02679 3.57128 numMergedOcc 0
49 mol 292 unq 2 iso 1 dist 8.92332 6.65781 7.02679 9.55943 6.13272 3.57128 numMergedOcc 0
50 mol 292 unq 3 iso 0 dist 8.92332 9.55943 6.13272 4.00064 9.08889 11.4257 numMergedOcc 0
51 mol 292 unq 3 iso 1 dist 8.92332 4.00064 9.08889 9.55943 6.13272 11.4257 numMergedOcc 0
52 mol 292 unq 3 iso 0 dist 8.92332 6.65781 7.02679 4.00064 9.08889 9.43063 numMergedOcc 0
53 mol 292 unq 3 iso 1 dist 8.92332 4.00064 9.08889 6.65781 7.02679 9.43063 numMergedOcc 0
