0 mol 44 unq 0 iso 0 dist 9.16551 8.1394 7.85573 12.4418 6.10468 6.21423 numMergedOcc 0
1 mol 61 unq 0 iso 0 dist 9.00513 8.50057 9.67403 13.2327 15.8202 7.28917 numMergedOcc 0
2 mol 61 unq 1 iso 0 dist 8.64665 4.57882 9.67403 9.42869 15.8202 7.28917 numMergedOcc 0
3 mol 61 unq 2 iso 0 dist 9.42869 5.35367 7.02173 11.0657 4.78291 6.60294 numMergedOcc 0
4 mol 61 unq 3 iso 0 dist 9.42869 4.57882 7.28917 8.64665 15.8202 9.67403 numMergedOcc 0
5 mol 67 unq 0 iso 0 dist 5.16558 5.23343 6.23298 9.62459 5.32316 9.85405 numMergedOcc 0
6 mol 67 unq 1 iso 0 dist 9.62459 5.23343 9.85405 5.16558 5.32316 6.23298 numMergedOcc 0
7 mol 78 unq 0 iso 0 dist 8.61468 5.71434 6.02034 6.27186 3.93133 6.77808 numMergedOcc 0
8 mol 78 unq 1 iso 0 dist 6.27186 5.71434 6.77808 8.61468 3.93133 6.02034 numMergedOcc 0
9 mol 103 unq 0 iso 0 dist 6.79564 11.405 6.67575 16.2085 10.3429 8.9889 numMergedOcc 0
10 mol 108 unq 0 iso 0 dist 8.69068 6.97518 5.52402 13.5097 7.80411 6.79804 numMergedOcc 0
11 mol 108 unq 1 iso 0 dist 8.89997 5.53449 6.79804 10.9542 7.80411 5.52402 numMergedOcc 0
12 mol 110 unq 0 iso 0 dist 5.36955 4.65265 5.43052 9.02649 4.7071 6.70591 numMergedOcc 0
13 mol 120 unq 0 iso 0 dist 9.85862 4.22185 9.14195 13.3479 8.833 9.75212 numMergedOcc 0
14 mol 132 unq 0 iso 0 dist 8.94096 8.83313 7.81335 7.64207 4.05522 7.63333 numMergedOcc 0
15 mol 132 unq 1 iso 0 dist 7.64207 8.83313 7.63333 8.94096 4.05522 7.81335 numMergedOcc 0
16 mol 133 unq 0 iso 0 dist 9.86691 5.48547 6.85651 12.4912 7.57921 7.03858 numMergedOcc 0
17 mol 133 unq 1 iso 0 dist 5.59311 7.75644 9.21256 9.22456 5.01776 8.3243 numMergedOcc 0
18 mol 133 unq 2 iso 0 dist 5.59311 7.75644 9.21256 13.5693 11.3944 8.95239 numMergedOcc 0
19 mol 133 unq 3 iso 0 dist 5.59311 7.75644 9.21256 5.7232 10.5425 6.23615 numMergedOcc 0
20 mol 133 unq 4 iso 0 dist 9.22456 7.75644 8.3243 5.59311 5.01776 9.21256 numMergedOcc 0
21 mol 133 unq 5 iso 0 dist 9.22456 7.75644 8.3243 13.5693 7.3347 8.95239 numMergedOcc 0
22 mol 133 unq 6 iso 0 dist 9.22456 7.75644 8.3243 5.7232 12.3753 6.23615 numMergedOcc 0
23 mol 133 unq 7 iso 0 dist 5.7232 7.75644 6.23615 5.59311 10.5425 9.21256 numMergedOcc 0
24 mol 133 unq 8 iso 0 dist 5.7232 7.75644 6.23615 9.22456 12.3753 8.3243 numMergedOcc 0
25 mol 133 unq 9 iso 0 dist 5.7232 7.75644 6.23615 13.5693 14.0664 8.95239 numMergedOcc 0
26 mol 147 unq 0 iso 0 dist 5.70772 4.93601 5.82034 8.77566 4.38675 6.56854 numMergedOcc 0
27 mol 147 unq 1 iso 0 dist 5.03663 6.64765 5.82034 9.12531 4.38675 6.56854 numMergedOcc 0
28 mol 147 unq 2 iso 0 dist 8.93916 12.1565 5.82034 13.0799 4.38675 6.56854 numMergedOcc 0
29 mol 183 unq 0 iso 0 dist 8.53483 5.85166 5.83335 10.4514 3.75614 7.86724 numMergedOcc 0
30 mol 183 unq 1 iso 0 dist 8.53483 18.0876 9.92635 10.4514 3.75614 7.85507 numMergedOcc 0
31 mol 183 unq 2 iso 0 dist 8.58404 5.78444 5.83335 8.1126 3.75614 7.86724 numMergedOcc 0
32 mol 183 unq 3 iso 0 dist 8.58404 13.2035 9.92635 8.1126 3.75614 7.85507 numMergedOcc 0
33 mol 183 unq 4 iso 0 dist 8.1126 5.78444 7.86724 8.58404 3.75614 5.83335 numMergedOcc 0
34 mol 183 unq 5 iso 0 dist 8.1126 13.2035 7.85507 8.58404 3.75614 9.92635 numMergedOcc 0
35 mol 197 unq 0 iso 0 dist 8.61953 4.31461 6.50727 7.91999 5.3979 7.84826 numMergedOcc 0
36 mol 197 unq 1 iso 0 dist 7.91999 4.31461 7.84826 8.61953 5.3979 6.50727 numMergedOcc 0
37 mol 225 unq 0 iso 0 dist 6.83539 8.16509 7.0795 6.22747 3.3846 9.76251 numMergedOcc 0
38 mol 225 unq 1 iso 0 dist 6.22747 8.16509 9.76251 6.83539 3.3846 7.0795 numMergedOcc 0
39 mol 269 unq 0 iso 0 dist 9.48928 5.57188 7.1068 11.6253 9.73015 7.97206 numMergedOcc 0
40 mol 279 unq 0 iso 0 dist 7.98579 7.68028 4.75866 15.4386 9.52032 7.87072 numMergedOcc 0
41 mol 283 unq 0 iso 0 dist 8.28068 5.08363 8.80418 13.2153 10.8201 8.80555 numMergedOcc 0
