0 mol 7 unq 0 iso 0 dist 7.5298 14.06 7.21217 19.8086 12.4418 9.36807 19.6754 13.2513 13.2247 6.36911 numMergedOcc 0
1 mol 7 unq 1 iso 0 dist 8.94874 5.77391 7.21217 13.0994 12.4418 9.36807 17.4437 13.2513 13.2247 6.36911 numMergedOcc 0
2 mol 92 unq 0 iso 0 dist 4.85152 11.1785 9.514 6.58062 5.02124 5.81965 10.9352 7.84888 5.02055 7.06013 numMergedOcc 0
3 mol 92 unq 1 iso 0 dist 4.85152 11.1785 9.514 6.58062 5.02124 5.81965 10.8489 13.0248 8.95922 9.70512 numMergedOcc 0
4 mol 92 unq 2 iso 0 dist 4.85152 10.9352 7.84888 6.58062 5.02124 7.06013 11.1785 9.514 5.02055 5.81965 numMergedOcc 0
5 mol 92 unq 3 iso 0 dist 4.85152 10.9352 7.84888 6.58062 5.02124 7.06013 10.8489 13.0248 12.4494 9.70512 numMergedOcc 0
6 mol 114 unq 0 iso 0 dist 8.592 9.52181 8.42445 16.22 10.453 8.71128 14.6731 11.2415 5.59517 7.52743 numMergedOcc 0
7 mol 117 unq 0 iso 0 dist 5.24519 5.34484 7.70533 11.3437 12.4058 6.62561 11.8951 14.7579 7.22206 7.63616 numMergedOcc 0
8 mol 126 unq 0 iso 0 dist 9.40608 5.50061 9.54928 10.8729 13.0595 7.75534 11.9085 16.0128 7.12167 9.06011 numMergedOcc 0
9 mol 131 unq 0 iso 0 dist 5.50364 5.29825 8.97145 10.1792 10.4276 6.91348 10.7111 14.5129 6.63273 8.6243 numMergedOcc 0
10 mol 131 unq 1 iso 0 dist 8.7301 5.29825 6.5874 10.1792 4.96935 6.91348 10.7111 11.4628 6.63273 8.6243 numMergedOcc 0
11 mol 142 unq 0 iso 0 dist 5.1557 6.01403 7.57458 9.14076 5.81429 7.15475 10.1512 10.5524 5.32922 9.07935 numMergedOcc 0
12 mol 142 unq 1 iso 0 dist 9.5355 8.68855 7.57458 9.15112 5.81429 7.15475 5.50176 10.5524 5.32922 9.07935 numMergedOcc 0
13 mol 224 unq 0 iso 0 dist 4.99301 5.25583 6.56437 11.055 10.4999 6.67585 6.80001 9.2491 4.70378 6.65984 numMergedOcc 0
14 mol 224 unq 1 iso 0 dist 6.36813 5.25583 6.23882 11.055 12.0368 6.67585 6.80001 10.6031 4.70378 6.65984 numMergedOcc 0
15 mol 224 unq 2 iso 0 dist 7.7163 11.8217 9.34636 10.7344 5.03449 6.67585 10.8463 9.79616 4.70378 6.65984 numMergedOcc 0
16 mol 224 unq 3 iso 0 dist 7.7163 10.8463 9.79616 10.7344 5.03449 6.65984 11.8217 9.34636 4.70378 6.67585 numMergedOcc 0
17 mol 224 unq 4 iso 0 dist 9.06201 11.9904 9.34636 12.5544 5.03449 6.67585 13.0574 9.79616 4.70378 6.65984 numMergedOcc 0
18 mol 224 unq 5 iso 0 dist 9.06201 13.0574 9.79616 12.5544 5.03449 6.65984 11.9904 9.34636 4.70378 6.67585 numMergedOcc 0
19 mol 235 unq 0 iso 0 dist 7.52696 8.38435 7.2346 10.0749 9.5053 7.32211 12.2063 15.0241 15.4 9.58736 numMergedOcc 0
20 mol 235 unq 1 iso 0 dist 7.52696 8.38435 7.2346 10.0749 9.5053 7.32211 15.4814 18.2941 14.4107 9.43058 numMergedOcc 0
21 mol 235 unq 2 iso 0 dist 7.52696 8.38435 7.2346 10.0749 9.5053 7.32211 15.0976 17.002 11.3789 8.75735 numMergedOcc 0
22 mol 235 unq 3 iso 0 dist 7.52696 8.38435 7.2346 10.0749 9.5053 7.32211 14.2513 10.5214 7.218 6.98084 numMergedOcc 0
23 mol 249 unq 0 iso 0 dist 5.66519 6.47697 5.78121 9.72224 4.16447 8.96876 8.68833 7.29898 8.34718 8.83735 numMergedOcc 0
24 mol 249 unq 1 iso 0 dist 5.66519 8.68833 7.29898 9.72224 4.16447 8.83735 6.47697 5.78121 8.34718 8.96876 numMergedOcc 0
25 mol 249 unq 2 iso 0 dist 6.50067 8.68833 8.91685 9.72224 6.74838 8.83735 6.47697 10.4288 8.34718 8.96876 numMergedOcc 0
26 mol 259 unq 0 iso 0 dist 9.16791 16.6792 9.58006 20.9701 15.1483 7.48005 19.5204 17.4878 12.5353 8.37865 numMergedOcc 0
27 mol 276 unq 0 iso 0 dist 7.35537 9.58401 9.05218 16.3097 11.6861 8.76347 12.2172 10.8173 8.88126 9.38971 numMergedOcc 0
28 mol 276 unq 1 iso 0 dist 7.35537 9.58401 9.05218 16.3097 11.6861 8.76347 14.0996 13.7797 5.50479 8.71541 numMergedOcc 0
