0 mol 58 unq 0 iso 0 dist 7.88172 12.965 8.80614 15.9015 10.2049 6.86465 12.9181 9.95364 6.62496 5.30792 numMergedOcc 0
1 mol 58 unq 0 iso 1 dist 7.88172 12.965 8.80614 12.9181 9.95364 6.62496 15.9015 10.2049 6.86465 5.30792 numMergedOcc 0
2 mol 58 unq 1 iso 0 dist 7.88172 12.965 8.80614 15.9015 10.2049 6.86465 10.671 5.49591 6.35756 5.35073 numMergedOcc 0
3 mol 58 unq 1 iso 1 dist 7.88172 12.965 8.80614 10.671 5.49591 6.35756 15.9015 10.2049 6.86465 5.35073 numMergedOcc 0
4 mol 58 unq 1 iso 0 dist 7.88172 12.965 8.80614 12.9181 9.95364 6.62496 10.671 5.49591 6.35756 4.81926 numMergedOcc 0
5 mol 58 unq 1 iso 1 dist 7.88172 12.965 8.80614 10.671 5.49591 6.35756 12.9181 9.95364 6.62496 4.81926 numMergedOcc 0
6 mol 73 unq 0 iso 0 dist 6.91141 9.19589 9.24757 10.1845 5.11416 9.96396 10.8928 6.56633 6.19304 5.4148 numMergedOcc 0
7 mol 73 unq 0 iso 1 dist 6.91141 9.19589 9.24757 10.8928 6.56633 6.19304 10.1845 5.11416 9.96396 5.4148 numMergedOcc 0
8 mol 73 unq 1 iso 0 dist 6.91141 9.19589 9.24757 10.1845 5.11416 9.96396 12.1403 15.3808 8.70481 14.9342 numMergedOcc 0
9 mol 73 unq 1 iso 1 dist 6.91141 9.19589 9.24757 12.1403 15.3808 8.70481 10.1845 5.11416 9.96396 14.9342 numMergedOcc 0
10 mol 73 unq 1 iso 0 dist 6.91141 9.19589 9.24757 10.8928 6.56633 6.19304 12.1403 15.3808 8.70481 13.3558 numMergedOcc 0
11 mol 73 unq 1 iso 1 dist 6.91141 9.19589 9.24757 12.1403 15.3808 8.70481 10.8928 6.56633 6.19304 13.3558 numMergedOcc 0
12 mol 85 unq 0 iso 0 dist 5.79841 13.8798 9.82915 10.7029 9.29301 7.97049 14.7997 13.5116 7.47541 6.9948 numMergedOcc 0
13 mol 85 unq 0 iso 1 dist 5.79841 13.8798 9.82915 14.7997 13.5116 7.47541 10.7029 9.29301 7.97049 6.9948 numMergedOcc 0
14 mol 92 unq 0 iso 0 dist 7.44343 11.8037 6.95572 9.514 9.50382 7.4729 13.0248 7.56363 6.82344 8.95922 numMergedOcc 0
15 mol 92 unq 0 iso 1 dist 7.44343 11.8037 6.95572 13.0248 7.56363 6.82344 9.514 9.50382 7.4729 8.95922 numMergedOcc 0
16 mol 129 unq 0 iso 0 dist 9.86237 12.2044 6.28565 15.594 6.30169 9.61051 11.5151 4.55551 5.83384 9.05135 numMergedOcc 0
17 mol 129 unq 0 iso 1 dist 9.86237 12.2044 6.28565 11.5151 4.55551 5.83384 15.594 6.30169 9.61051 9.05135 numMergedOcc 0
18 mol 156 unq 0 iso 0 dist 8.32227 9.67236 8.61587 17.1888 12.4274 8.34702 16.6532 10.9151 9.06726 6.31306 numMergedOcc 0
19 mol 156 unq 0 iso 1 dist 8.32227 9.67236 8.61587 16.6532 10.9151 9.06726 17.1888 12.4274 8.34702 6.31306 numMergedOcc 0
20 mol 156 unq 1 iso 0 dist 8.32227 9.67236 8.61587 17.1888 12.4274 8.34702 14.0336 6.98125 8.33171 6.56229 numMergedOcc 0
21 mol 156 unq 1 iso 1 dist 8.32227 9.67236 8.61587 14.0336 6.98125 8.33171 17.1888 12.4274 8.34702 6.56229 numMergedOcc 0
22 mol 156 unq 1 iso 0 dist 8.32227 9.67236 8.61587 16.6532 10.9151 9.06726 14.0336 6.98125 8.33171 5.64555 numMergedOcc 0
23 mol 156 unq 1 iso 1 dist 8.32227 9.67236 8.61587 14.0336 6.98125 8.33171 16.6532 10.9151 9.06726 5.64555 numMergedOcc 0
24 mol 156 unq 2 iso 0 dist 9.6281 5.75141 7.90267 10.6034 6.03934 7.66148 7.30021 5.4555 8.94056 10.1658 numMergedOcc 0
25 mol 156 unq 2 iso 1 dist 9.6281 5.75141 7.90267 7.30021 5.4555 8.94056 10.6034 6.03934 7.66148 10.1658 numMergedOcc 0
26 mol 156 unq 3 iso 0 dist 6.22667 5.70205 7.90267 6.71202 6.03934 7.66148 10.0734 5.4555 8.94056 10.1658 numMergedOcc 0
27 mol 156 unq 3 iso 1 dist 6.22667 5.70205 7.90267 10.0734 5.4555 8.94056 6.71202 6.03934 7.66148 10.1658 numMergedOcc 0
28 mol 223 unq 0 iso 0 dist 6.64193 4.67731 7.48463 12.0111 11.8654 8.77153 10.6785 6.05524 8.6166 8.51421 numMergedOcc 0
29 mol 223 unq 0 iso 1 dist 6.64193 4.67731 7.48463 10.6785 6.05524 8.6166 12.0111 11.8654 8.77153 8.51421 numMergedOcc 0
30 mol 227 unq 0 iso 0 dist 8.61546 14.5234 7.43071 10.2913 6.00424 9.34734 14.5974 6.35849 7.22101 6.99063 numMergedOcc 0
31 mol 227 unq 0 iso 1 dist 8.61546 14.5234 7.43071 14.5974 6.35849 7.22101 10.2913 6.00424 9.34734 6.99063 numMergedOcc 0
32 mol 227 unq 1 iso 0 dist 8.61546 14.5234 7.43071 10.2913 6.00424 9.34734 17.402 10.204 8.65997 7.60506 numMergedOcc 0
33 mol 227 unq 1 iso 1 dist 8.61546 14.5234 7.43071 17.402 10.204 8.65997 10.2913 6.00424 9.34734 7.60506 numMergedOcc 0
34 mol 227 unq 2 iso 0 dist 8.61546 14.5234 7.43071 10.2913 6.00424 9.34734 13.1699 9.76735 7.56888 7.43198 numMergedOcc 0
35 mol 227 unq 2 iso 1 dist 8.61546 14.5234 7.43071 13.1699 9.76735 7.56888 10.2913 6.00424 9.34734 7.43198 numMergedOcc 0
36 mol 227 unq 3 iso 0 dist 8.61546 14.5234 7.43071 10.2913 6.00424 9.34734 11.3667 9.32448 7.55216 9.51866 numMergedOcc 0
37 mol 227 unq 3 iso 1 dist 8.61546 14.5234 7.43071 11.3667 9.32448 7.55216 10.2913 6.00424 9.34734 9.51866 numMergedOcc 0
38 mol 227 unq 1 iso 0 dist 8.61546 14.5234 7.43071 14.5974 6.35849 7.22101 17.402 10.204 8.65997 5.22356 numMergedOcc 0
39 mol 227 unq 1 iso 1 dist 8.61546 14.5234 7.43071 17.402 10.204 8.65997 14.5974 6.35849 7.22101 5.22356 numMergedOcc 0
40 mol 227 unq 2 iso 0 dist 8.61546 14.5234 7.43071 14.5974 6.35849 7.22101 13.1699 9.76735 7.56888 10.8658 numMergedOcc 0
41 mol 227 unq 2 iso 1 dist 8.61546 14.5234 7.43071 13.1699 9.76735 7.56888 14.5974 6.35849 7.22101 10.8658 numMergedOcc 0
42 mol 227 unq 3 iso 0 dist 8.61546 14.5234 7.43071 14.5974 6.35849 7.22101 11.3667 9.32448 7.55216 12.4689 numMergedOcc 0
43 mol 227 unq 3 iso 1 dist 8.61546 14.5234 7.43071 11.3667 9.32448 7.55216 14.5974 6.35849 7.22101 12.4689 numMergedOcc 0
44 mol 227 unq 2 iso 0 dist 8.61546 14.5234 7.43071 17.402 10.204 8.65997 13.1699 9.76735 7.56888 9.70012 numMergedOcc 0
45 mol 227 unq 2 iso 1 dist 8.61546 14.5234 7.43071 13.1699 9.76735 7.56888 17.402 10.204 8.65997 9.70012 numMergedOcc 0
46 mol 227 unq 3 iso 0 dist 8.61546 14.5234 7.43071 17.402 10.204 8.65997 11.3667 9.32448 7.55216 12.9332 numMergedOcc 0
47 mol 227 unq 3 iso 1 dist 8.61546 14.5234 7.43071 11.3667 9.32448 7.55216 17.402 10.204 8.65997 12.9332 numMergedOcc 0
48 mol 227 unq 3 iso 0 dist 8.61546 14.5234 7.43071 13.1699 9.76735 7.56888 11.3667 9.32448 7.55216 4.48529 numMergedOcc 0
49 mol 227 unq 3 iso 1 dist 8.61546 14.5234 7.43071 11.3667 9.32448 7.55216 13.1699 9.76735 7.56888 4.48529 numMergedOcc 0
50 mol 249 unq 0 iso 0 dist 4.68783 9.82483 5.48118 15.3404 10.7772 7.57994 11.128 7.04666 6.18582 5.01979 numMergedOcc 0
51 mol 249 unq 0 iso 1 dist 4.68783 9.82483 5.48118 11.128 7.04666 6.18582 15.3404 10.7772 7.57994 5.01979 numMergedOcc 0
52 mol 259 unq 0 iso 0 dist 9.69025 5.71237 7.98231 6.77279 8.41846 8.13497 9.58006 8.81835 7.88519 4.69778 numMergedOcc 0
53 mol 259 unq 0 iso 1 dist 9.69025 5.71237 7.98231 9.58006 8.81835 7.88519 6.77279 8.41846 8.13497 4.69778 numMergedOcc 0
54 mol 264 unq 0 iso 0 dist 9.14393 10.0289 7.16853 16.8589 11.1431 9.361 6.75305 5.00209 6.24356 10.3202 numMergedOcc 0
55 mol 264 unq 0 iso 1 dist 9.14393 10.0289 7.16853 6.75305 5.00209 6.24356 16.8589 11.1431 9.361 10.3202 numMergedOcc 0
