0 mol 44 unq 0 iso 0 dist 7.85573 7.78905 6.07691 6.10468 6.21423 9.44909 numMergedOcc 0
1 mol 44 unq 1 iso 0 dist 6.21423 9.44909 6.07691 6.10468 7.85573 7.78905 numMergedOcc 0
2 mol 59 unq 0 iso 0 dist 5.70814 7.7978 6.34264 3.60121 5.58384 9.55751 numMergedOcc 0
3 mol 59 unq 1 iso 0 dist 5.58384 9.55751 6.34264 3.60121 5.70814 7.7978 numMergedOcc 0
4 mol 61 unq 0 iso 0 dist 9.67403 8.46556 11.5608 15.8202 7.28917 18.1412 numMergedOcc 0
5 mol 67 unq 0 iso 0 dist 6.23298 9.46247 10.8254 5.32316 9.85405 14.1308 numMergedOcc 0
6 mol 73 unq 0 iso 0 dist 5.58346 6.18305 5.2774 9.96948 9.66744 12.9661 numMergedOcc 0
7 mol 73 unq 1 iso 0 dist 9.87177 8.06168 4.49951 11.1443 6.70925 8.67532 numMergedOcc 0
8 mol 73 unq 2 iso 0 dist 9.87177 8.06168 4.49951 15.9639 8.95756 11.9045 numMergedOcc 0
9 mol 73 unq 3 iso 0 dist 6.70925 8.67532 4.49951 11.1443 9.87177 8.06168 numMergedOcc 0
10 mol 73 unq 4 iso 0 dist 6.70925 8.67532 4.49951 5.04503 8.95756 11.9045 numMergedOcc 0
11 mol 83 unq 0 iso 0 dist 9.35188 9.21173 7.18373 11.2611 9.33202 15.4904 numMergedOcc 0
12 mol 83 unq 1 iso 0 dist 9.35188 9.21173 7.18373 8.86913 6.55004 11.976 numMergedOcc 0
13 mol 83 unq 2 iso 0 dist 9.35188 9.21173 7.18373 4.14953 7.16614 10.2311 numMergedOcc 0
14 mol 86 unq 0 iso 0 dist 7.91639 8.88225 10.9597 10.7489 8.52942 17.373 numMergedOcc 0
15 mol 103 unq 0 iso 0 dist 6.67575 4.99966 6.35372 10.3429 8.9889 13.6948 numMergedOcc 0
16 mol 109 unq 0 iso 0 dist 7.66832 8.73648 5.5332 6.14668 8.11083 12.2141 numMergedOcc 0
17 mol 110 unq 0 iso 0 dist 5.43052 8.181 9.01856 4.7071 6.70591 12.3607 numMergedOcc 0
18 mol 133 unq 0 iso 0 dist 6.85651 9.3894 8.00493 7.57921 7.03858 14.1938 numMergedOcc 0
19 mol 133 unq 1 iso 0 dist 6.23615 9.50322 14.5344 10.5425 9.21256 12.969 numMergedOcc 0
20 mol 133 unq 2 iso 0 dist 6.23615 9.50322 14.5344 12.3753 8.3243 16.8036 numMergedOcc 0
21 mol 133 unq 3 iso 0 dist 6.23615 9.50322 14.5344 14.0664 8.95239 19.4418 numMergedOcc 0
22 mol 133 unq 4 iso 0 dist 6.23615 5.82404 7.96098 10.5425 9.21256 9.84918 numMergedOcc 0
23 mol 133 unq 5 iso 0 dist 6.23615 5.82404 7.96098 12.3753 8.3243 11.3707 numMergedOcc 0
24 mol 133 unq 6 iso 0 dist 6.23615 5.82404 7.96098 14.0664 8.95239 11.8159 numMergedOcc 0
25 mol 139 unq 0 iso 0 dist 8.27507 6.34417 10.3273 7.6075 9.99665 13.5702 numMergedOcc 0
26 mol 180 unq 0 iso 0 dist 5.43774 9.88732 9.76368 5.33436 8.31061 5.77949 numMergedOcc 0
27 mol 180 unq 1 iso 0 dist 8.31061 5.77949 9.76368 5.33436 5.43774 9.88732 numMergedOcc 0
28 mol 197 unq 0 iso 0 dist 5.79753 8.3337 8.69245 10.6986 7.56537 12.045 numMergedOcc 0
29 mol 197 unq 1 iso 0 dist 5.79753 5.41292 4.6678 10.6986 7.56537 11.7166 numMergedOcc 0
30 mol 225 unq 0 iso 0 dist 7.0795 9.86371 9.65126 3.3846 9.76251 9.13552 numMergedOcc 0
31 mol 225 unq 1 iso 0 dist 9.76251 9.13552 9.65126 3.3846 7.0795 9.86371 numMergedOcc 0
32 mol 243 unq 0 iso 0 dist 8.28364 6.86162 5.75876 6.73236 8.89116 11.3838 numMergedOcc 0
33 mol 249 unq 0 iso 0 dist 7.279 6.37672 9.82483 4.32316 8.43448 8.94023 numMergedOcc 0
34 mol 249 unq 1 iso 0 dist 8.43448 8.94023 9.82483 4.32316 7.279 6.37672 numMergedOcc 0
35 mol 259 unq 0 iso 0 dist 7.97113 9.12507 13.3027 5.25523 8.38479 9.57887 numMergedOcc 0
36 mol 259 unq 1 iso 0 dist 5.22111 9.12507 12.3218 5.25523 8.53598 9.57887 numMergedOcc 0
37 mol 264 unq 0 iso 0 dist 9.8799 7.36905 13.9464 14.4112 8.05522 20.4776 numMergedOcc 0
38 mol 264 unq 1 iso 0 dist 9.8799 6.83408 5.11257 14.4112 8.05522 12.5282 numMergedOcc 0
39 mol 266 unq 0 iso 0 dist 3.90274 8.12852 5.73592 6.47501 9.33447 14.3918 numMergedOcc 0
40 mol 287 unq 0 iso 0 dist 8.25083 9.53313 6.29899 3.73926 8.34389 7.26542 numMergedOcc 0
41 mol 287 unq 1 iso 0 dist 8.34389 7.26542 6.29899 3.73926 8.25083 9.53313 numMergedOcc 0
42 mol 288 unq 0 iso 0 dist 8.25083 9.53313 6.29899 3.73926 8.34389 7.26542 numMergedOcc 0
43 mol 288 unq 1 iso 0 dist 8.34389 7.26542 6.29899 3.73926 8.25083 9.53313 numMergedOcc 0
44 mol 289 unq 0 iso 0 dist 8.25083 9.53313 6.29899 3.73926 8.34389 7.26542 numMergedOcc 0
45 mol 289 unq 1 iso 0 dist 8.34389 7.26542 6.29899 3.73926 8.25083 9.53313 numMergedOcc 0
