0 mol 68 unq 0 iso 0 dist 5.94459 10.4143 7.65992 3.89292 5.44028 9.16047 numMergedOcc 0
1 mol 74 unq 0 iso 0 dist 6.2442 9.76443 9.9321 6.21588 8.12551 13.7278 numMergedOcc 0
2 mol 111 unq 0 iso 0 dist 6.90574 10.2417 8.52122 13.2471 6.63857 11.508 numMergedOcc 0
3 mol 165 unq 0 iso 0 dist 6.76066 6.54583 8.76723 6.26585 6.08508 5.10615 numMergedOcc 0
4 mol 176 unq 0 iso 0 dist 7.77488 12.1513 7.91764 9.8304 8.40904 6.99976 numMergedOcc 0
5 mol 176 unq 1 iso 0 dist 7.77488 7.21682 7.72366 9.8304 8.40904 8.2598 numMergedOcc 0
6 mol 176 unq 2 iso 0 dist 7.77488 13.2138 8.84411 9.8304 8.40904 4.7597 numMergedOcc 0
7 mol 182 unq 0 iso 0 dist 9.94949 4.44909 7.60057 16.6605 9.04642 12.6293 numMergedOcc 0
8 mol 205 unq 0 iso 0 dist 9.88251 10.3459 8.01082 5.58553 6.61806 9.78143 numMergedOcc 0
9 mol 205 unq 1 iso 0 dist 9.88251 10.3459 8.01082 9.00592 7.85966 6.68457 numMergedOcc 0
10 mol 230 unq 0 iso 0 dist 6.47064 14.558 9.03723 12.6326 7.74885 7.37963 numMergedOcc 0
11 mol 252 unq 0 iso 0 dist 9.44744 10.7442 9.00798 5.43646 6.5058 5.52764 numMergedOcc 0
12 mol 261 unq 0 iso 0 dist 5.67349 5.79529 9.39571 9.92631 7.75255 8.52438 numMergedOcc 0
13 mol 261 unq 1 iso 0 dist 5.67349 5.79529 9.39571 13.2937 8.96013 13.4103 numMergedOcc 0
14 mol 272 unq 0 iso 0 dist 5.84259 12.3631 7.47128 6.42354 9.28899 12.3888 numMergedOcc 0
15 mol 278 unq 0 iso 0 dist 9.03362 9.25629 6.06813 15.3913 7.92718 7.87625 numMergedOcc 0
