0 mol 73 unq 0 iso 0 dist 7.61405 17.4559 9.87177 11.2167 6.70925 11.1443 numMergedOcc 0
1 mol 73 unq 0 iso 1 dist 7.61405 11.2167 6.70925 17.4559 9.87177 11.1443 numMergedOcc 0
2 mol 73 unq 1 iso 0 dist 7.61405 17.4559 9.87177 9.45641 8.95756 15.9639 numMergedOcc 0
3 mol 73 unq 1 iso 1 dist 7.61405 9.45641 8.95756 17.4559 9.87177 15.9639 numMergedOcc 0
4 mol 73 unq 1 iso 0 dist 7.61405 11.2167 6.70925 9.45641 8.95756 5.04503 numMergedOcc 0
5 mol 73 unq 1 iso 1 dist 7.61405 9.45641 8.95756 11.2167 6.70925 5.04503 numMergedOcc 0
6 mol 83 unq 0 iso 0 dist 7.28226 6.98135 9.33202 4.31442 6.55004 6.27574 numMergedOcc 0
7 mol 83 unq 0 iso 1 dist 7.28226 4.31442 6.55004 6.98135 9.33202 6.27574 numMergedOcc 0
8 mol 83 unq 1 iso 0 dist 7.28226 6.98135 9.33202 9.07263 7.16614 7.3091 numMergedOcc 0
9 mol 83 unq 1 iso 1 dist 7.28226 9.07263 7.16614 6.98135 9.33202 7.3091 numMergedOcc 0
10 mol 83 unq 2 iso 0 dist 7.28226 6.98135 9.33202 12.8734 9.35188 11.2611 numMergedOcc 0
11 mol 83 unq 2 iso 1 dist 7.28226 12.8734 9.35188 6.98135 9.33202 11.2611 numMergedOcc 0
12 mol 83 unq 1 iso 0 dist 7.28226 4.31442 6.55004 9.07263 7.16614 5.15058 numMergedOcc 0
13 mol 83 unq 1 iso 1 dist 7.28226 9.07263 7.16614 4.31442 6.55004 5.15058 numMergedOcc 0
14 mol 83 unq 2 iso 0 dist 7.28226 4.31442 6.55004 12.8734 9.35188 8.86913 numMergedOcc 0
15 mol 83 unq 2 iso 1 dist 7.28226 12.8734 9.35188 4.31442 6.55004 8.86913 numMergedOcc 0
16 mol 83 unq 2 iso 0 dist 7.28226 9.07263 7.16614 12.8734 9.35188 4.14953 numMergedOcc 0
17 mol 83 unq 2 iso 1 dist 7.28226 12.8734 9.35188 9.07263 7.16614 4.14953 numMergedOcc 0
18 mol 108 unq 0 iso 0 dist 6.29966 7.65804 5.52402 9.35984 6.79804 7.80411 numMergedOcc 0
19 mol 108 unq 0 iso 1 dist 6.29966 9.35984 6.79804 7.65804 5.52402 7.80411 numMergedOcc 0
20 mol 108 unq 1 iso 0 dist 9.31725 14.3699 5.52402 11.9597 6.79804 7.80411 numMergedOcc 0
21 mol 108 unq 1 iso 1 dist 9.31725 11.9597 6.79804 14.3699 5.52402 7.80411 numMergedOcc 0
22 mol 108 unq 2 iso 0 dist 9.57358 13.8903 5.52402 13.7036 6.79804 7.80411 numMergedOcc 0
23 mol 108 unq 2 iso 1 dist 9.57358 13.7036 6.79804 13.8903 5.52402 7.80411 numMergedOcc 0
24 mol 108 unq 3 iso 0 dist 5.38329 4.85222 5.52402 10.7411 6.79804 7.80411 numMergedOcc 0
25 mol 108 unq 3 iso 1 dist 5.38329 10.7411 6.79804 4.85222 5.52402 7.80411 numMergedOcc 0
26 mol 110 unq 0 iso 0 dist 7.1891 5.76579 6.70591 7.87269 5.43052 4.7071 numMergedOcc 0
27 mol 110 unq 0 iso 1 dist 7.1891 7.87269 5.43052 5.76579 6.70591 4.7071 numMergedOcc 0
28 mol 110 unq 1 iso 0 dist 7.67702 9.62408 6.70591 10.5488 5.43052 4.7071 numMergedOcc 0
29 mol 110 unq 1 iso 1 dist 7.67702 10.5488 5.43052 9.62408 6.70591 4.7071 numMergedOcc 0
30 mol 128 unq 0 iso 0 dist 9.05734 9.11986 5.4772 9.29572 7.84607 3.57533 numMergedOcc 0
31 mol 128 unq 0 iso 1 dist 9.05734 9.29572 7.84607 9.11986 5.4772 3.57533 numMergedOcc 0
32 mol 133 unq 0 iso 0 dist 8.49611 8.81495 9.63488 5.17313 9.31907 11.1037 numMergedOcc 0
33 mol 133 unq 0 iso 1 dist 8.49611 5.17313 9.31907 8.81495 9.63488 11.1037 numMergedOcc 0
34 mol 232 unq 0 iso 0 dist 9.65375 12.2018 6.11539 19.0053 9.71082 9.60695 numMergedOcc 0
35 mol 232 unq 0 iso 1 dist 9.65375 19.0053 9.71082 12.2018 6.11539 9.60695 numMergedOcc 0
36 mol 243 unq 0 iso 0 dist 8.82073 10.1763 8.89116 14.2092 8.28364 6.73236 numMergedOcc 0
37 mol 243 unq 0 iso 1 dist 8.82073 14.2092 8.28364 10.1763 8.89116 6.73236 numMergedOcc 0
38 mol 259 unq 0 iso 0 dist 8.13376 11.3955 7.97113 9.8442 8.38479 5.25523 numMergedOcc 0
39 mol 259 unq 0 iso 1 dist 8.13376 9.8442 8.38479 11.3955 7.97113 5.25523 numMergedOcc 0
40 mol 264 unq 0 iso 0 dist 9.23807 3.96435 8.05522 13.2227 9.8799 14.4112 numMergedOcc 0
41 mol 264 unq 0 iso 1 dist 9.23807 13.2227 9.8799 3.96435 8.05522 14.4112 numMergedOcc 0
42 mol 264 unq 1 iso 0 dist 8.49619 12.1779 8.05522 13.6237 9.8799 14.4112 numMergedOcc 0
43 mol 264 unq 1 iso 1 dist 8.49619 13.6237 9.8799 12.1779 8.05522 14.4112 numMergedOcc 0
44 mol 280 unq 0 iso 0 dist 8.51073 4.79056 7.10723 12.0649 6.8664 9.41086 numMergedOcc 0
45 mol 280 unq 0 iso 1 dist 8.51073 12.0649 6.8664 4.79056 7.10723 9.41086 numMergedOcc 0
46 mol 283 unq 0 iso 0 dist 5.78449 3.85698 8.80555 7.85589 8.80418 10.8201 numMergedOcc 0
47 mol 283 unq 0 iso 1 dist 5.78449 7.85589 8.80418 3.85698 8.80555 10.8201 numMergedOcc 0
