0 mol 20 unq 0 iso 0 dist 7.53599 9.37411 12.4229 11.4329 9.4228 20.0347 numMergedOcc 0
1 mol 20 unq 1 iso 0 dist 6.12382 8.36009 6.22202 6.18887 7.16149 10.5068 numMergedOcc 0
2 mol 43 unq 0 iso 0 dist 7.29373 7.45173 4.2509 5.46715 9.89546 7.39848 numMergedOcc 0
3 mol 68 unq 0 iso 0 dist 7.94809 4.9983 10.6352 5.53078 9.18809 10.4695 numMergedOcc 0
4 mol 73 unq 0 iso 0 dist 6.35752 5.98764 10.9695 5.53115 5.62694 7.37171 numMergedOcc 0
5 mol 95 unq 0 iso 0 dist 9.20807 9.39407 5.08555 6.88429 8.82395 6.38004 numMergedOcc 0
6 mol 107 unq 0 iso 0 dist 7.20322 7.09988 3.35244 12.8769 7.02709 9.45682 numMergedOcc 0
7 mol 120 unq 0 iso 0 dist 5.27549 4.7751 3.3085 7.36905 8.5457 10.2058 numMergedOcc 0
8 mol 120 unq 1 iso 0 dist 5.27549 4.7751 3.3085 6.1358 6.7928 8.99862 numMergedOcc 0
9 mol 120 unq 2 iso 0 dist 5.27549 4.7751 3.3085 8.18801 7.59189 9.63626 numMergedOcc 0
10 mol 120 unq 3 iso 0 dist 6.21509 8.0889 3.47821 5.61914 8.1671 7.53694 numMergedOcc 0
11 mol 127 unq 0 iso 0 dist 9.38764 8.87379 4.3068 5.84594 7.46793 5.01504 numMergedOcc 0
12 mol 127 unq 1 iso 0 dist 9.38764 8.87379 4.3068 5.0826 9.50837 6.80627 numMergedOcc 0
13 mol 130 unq 0 iso 0 dist 9.40368 6.90456 5.11518 12.7556 7.13306 11.308 numMergedOcc 0
14 mol 130 unq 1 iso 0 dist 7.14034 8.14525 5.11518 6.51295 7.13306 11.308 numMergedOcc 0
15 mol 158 unq 0 iso 0 dist 8.71292 7.37255 10.9272 6.05321 6.64326 11.69 numMergedOcc 0
16 mol 169 unq 0 iso 0 dist 6.58855 7.07933 8.64393 5.3864 6.21943 11.7009 numMergedOcc 0
17 mol 186 unq 0 iso 0 dist 8.13982 9.6283 5.64335 4.70216 9.37545 12.5081 numMergedOcc 0
18 mol 186 unq 1 iso 0 dist 8.13982 9.6283 5.64335 6.13422 6.02579 6.93931 numMergedOcc 0
19 mol 206 unq 0 iso 0 dist 6.28518 7.54599 10.7204 8.89771 9.65041 12.8966 numMergedOcc 0
20 mol 206 unq 1 iso 0 dist 6.09565 8.42431 10.3983 4.22704 4.98125 8.65714 numMergedOcc 0
21 mol 261 unq 0 iso 0 dist 9.00616 8.55479 16.5658 4.63237 9.00426 12.3855 numMergedOcc 0
22 mol 261 unq 1 iso 0 dist 6.35699 8.55479 12.8509 4.63237 8.19348 12.3855 numMergedOcc 0
23 mol 277 unq 0 iso 0 dist 7.89017 7.05489 6.54549 11.9195 6.64082 10.9882 numMergedOcc 0
