0 mol 62 unq 0 iso 0 dist 9.09269 9.56193 6.30202 7.49995 7.49792 7.90686 numMergedOcc 0
1 mol 85 unq 0 iso 0 dist 9.24862 8.97392 9.37034 9.56334 8.15861 4.8069 numMergedOcc 0
2 mol 85 unq 1 iso 0 dist 9.24862 8.97392 9.37034 11.5742 9.27814 17.0484 numMergedOcc 0
3 mol 85 unq 2 iso 0 dist 9.24862 13.2626 6.60091 9.56334 8.15861 10.0178 numMergedOcc 0
4 mol 85 unq 3 iso 0 dist 9.24862 13.2626 6.60091 11.5742 9.27814 14.189 numMergedOcc 0
5 mol 96 unq 0 iso 0 dist 7.40015 10.6451 9.25941 12.2734 7.22615 11.9221 numMergedOcc 0
6 mol 96 unq 1 iso 0 dist 6.80014 12.0817 8.40684 4.89165 6.02608 10.7653 numMergedOcc 0
7 mol 96 unq 2 iso 0 dist 8.94847 9.81613 9.25941 6.61175 7.22615 11.9221 numMergedOcc 0
8 mol 157 unq 0 iso 0 dist 7.78927 7.20013 6.97303 4.15636 8.97914 5.07066 numMergedOcc 0
9 mol 157 unq 1 iso 0 dist 7.78927 4.74886 9.46764 4.15636 8.97914 7.444 numMergedOcc 0
10 mol 176 unq 0 iso 0 dist 7.66242 7.65279 7.36833 4.99447 8.00223 11.2094 numMergedOcc 0
11 mol 176 unq 1 iso 0 dist 7.66242 7.65279 7.36833 5.46526 9.60695 9.89989 numMergedOcc 0
12 mol 255 unq 0 iso 0 dist 5.83014 5.62511 6.94032 3.53487 8.66655 4.9727 numMergedOcc 0
13 mol 255 unq 1 iso 0 dist 5.83014 8.11511 5.53395 3.53487 8.66655 10.1167 numMergedOcc 0
14 mol 266 unq 0 iso 0 dist 7.02347 5.13151 8.65743 6.25559 5.28746 4.39553 numMergedOcc 0
15 mol 266 unq 1 iso 0 dist 7.02347 7.96391 8.02607 6.25559 5.28746 3.94797 numMergedOcc 0
16 mol 283 unq 0 iso 0 dist 9.24924 7.04495 8.57375 8.2722 7.17276 7.97597 numMergedOcc 0
17 mol 283 unq 1 iso 0 dist 9.72248 9.44903 8.57375 5.93642 7.17276 7.97597 numMergedOcc 0
18 mol 287 unq 0 iso 0 dist 7.80478 12.2037 4.75392 15.9206 8.15636 5.15725 numMergedOcc 0
19 mol 287 unq 1 iso 0 dist 7.80478 12.2037 4.75392 14.0034 7.86292 7.67235 numMergedOcc 0
20 mol 287 unq 2 iso 0 dist 7.80478 15.1358 8.61667 15.9206 8.15636 7.46917 numMergedOcc 0
21 mol 287 unq 3 iso 0 dist 7.80478 15.1358 8.61667 14.0034 7.86292 7.99757 numMergedOcc 0
22 mol 287 unq 4 iso 0 dist 9.22409 6.95862 4.75392 5.19316 8.15636 5.15725 numMergedOcc 0
23 mol 287 unq 5 iso 0 dist 9.22409 6.95862 4.75392 3.59476 7.86292 7.67235 numMergedOcc 0
24 mol 287 unq 6 iso 0 dist 9.22409 6.1041 8.61667 5.19316 8.15636 7.46917 numMergedOcc 0
25 mol 287 unq 7 iso 0 dist 9.22409 6.1041 8.61667 3.59476 7.86292 7.99757 numMergedOcc 0
26 mol 288 unq 0 iso 0 dist 7.80478 12.2037 4.75392 15.9206 8.15636 5.15725 numMergedOcc 0
27 mol 288 unq 1 iso 0 dist 7.80478 12.2037 4.75392 14.0034 7.86292 7.67235 numMergedOcc 0
28 mol 288 unq 2 iso 0 dist 7.80478 15.1358 8.61667 15.9206 8.15636 7.46917 numMergedOcc 0
29 mol 288 unq 3 iso 0 dist 7.80478 15.1358 8.61667 14.0034 7.86292 7.99757 numMergedOcc 0
30 mol 288 unq 4 iso 0 dist 9.22409 6.95862 4.75392 5.19316 8.15636 5.15725 numMergedOcc 0
31 mol 288 unq 5 iso 0 dist 9.22409 6.95862 4.75392 3.59476 7.86292 7.67235 numMergedOcc 0
32 mol 288 unq 6 iso 0 dist 9.22409 6.1041 8.61667 5.19316 8.15636 7.46917 numMergedOcc 0
33 mol 288 unq 7 iso 0 dist 9.22409 6.1041 8.61667 3.59476 7.86292 7.99757 numMergedOcc 0
34 mol 289 unq 0 iso 0 dist 7.80478 12.2037 4.75392 15.9206 8.15636 5.15725 numMergedOcc 0
35 mol 289 unq 1 iso 0 dist 7.80478 12.2037 4.75392 14.0034 7.86292 7.67235 numMergedOcc 0
36 mol 289 unq 2 iso 0 dist 7.80478 15.1358 8.61667 15.9206 8.15636 7.46917 numMergedOcc 0
37 mol 289 unq 3 iso 0 dist 7.80478 15.1358 8.61667 14.0034 7.86292 7.99757 numMergedOcc 0
38 mol 289 unq 4 iso 0 dist 9.22409 6.95862 4.75392 5.19316 8.15636 5.15725 numMergedOcc 0
39 mol 289 unq 5 iso 0 dist 9.22409 6.95862 4.75392 3.59476 7.86292 7.67235 numMergedOcc 0
40 mol 289 unq 6 iso 0 dist 9.22409 6.1041 8.61667 5.19316 8.15636 7.46917 numMergedOcc 0
41 mol 289 unq 7 iso 0 dist 9.22409 6.1041 8.61667 3.59476 7.86292 7.99757 numMergedOcc 0
