0 mol 63 unq 0 iso 0 dist 7.76044 4.92836 7.07849 9.3844 4.26696 9.33209 numMergedOcc 0
1 mol 83 unq 0 iso 0 dist 7.28226 9.20676 8.81183 10.4961 6.04275 6.98121 numMergedOcc 0
2 mol 108 unq 0 iso 0 dist 6.29966 13.0702 7.84262 15.5632 10.5433 6.46069 numMergedOcc 0
3 mol 108 unq 1 iso 0 dist 9.89763 5.53449 7.52802 10.9542 9.11693 5.52402 numMergedOcc 0
4 mol 108 unq 2 iso 0 dist 9.89763 5.53449 7.52802 8.89997 6.94601 6.79804 numMergedOcc 0
5 mol 108 unq 3 iso 0 dist 9.31725 13.816 7.84262 11.916 10.5433 6.46069 numMergedOcc 0
6 mol 108 unq 4 iso 0 dist 9.57358 16.0071 7.84262 15.3145 10.5433 6.46069 numMergedOcc 0
7 mol 108 unq 5 iso 0 dist 5.38329 12.4008 7.84262 15.8523 10.5433 6.46069 numMergedOcc 0
8 mol 108 unq 6 iso 0 dist 7.62421 12.4008 9.29208 15.8523 12.2277 6.46069 numMergedOcc 0
9 mol 108 unq 7 iso 0 dist 8.49918 5.53449 7.84262 10.9542 9.40297 5.52402 numMergedOcc 0
10 mol 108 unq 8 iso 0 dist 8.49918 5.53449 7.84262 8.89997 5.53105 6.79804 numMergedOcc 0
11 mol 108 unq 9 iso 0 dist 8.49918 9.01058 9.29208 10.9542 9.40297 7.57593 numMergedOcc 0
12 mol 110 unq 0 iso 0 dist 9.02174 4.65265 7.24538 9.02649 8.30695 6.70591 numMergedOcc 0
13 mol 110 unq 1 iso 0 dist 9.02174 4.65265 7.24538 5.36955 6.72551 5.43052 numMergedOcc 0
14 mol 133 unq 0 iso 0 dist 9.18505 7.75644 8.43088 5.59311 13.9116 9.21256 numMergedOcc 0
15 mol 133 unq 1 iso 0 dist 9.18505 7.75644 8.43088 9.22456 15.5016 8.3243 numMergedOcc 0
16 mol 133 unq 2 iso 0 dist 9.18505 7.75644 8.43088 13.5693 17.2482 8.95239 numMergedOcc 0
17 mol 133 unq 3 iso 0 dist 9.18505 7.75644 8.43088 5.7232 4.70999 6.23615 numMergedOcc 0
18 mol 136 unq 0 iso 0 dist 8.7469 12.3204 8.82556 10.2782 8.43256 9.87222 numMergedOcc 0
19 mol 183 unq 0 iso 0 dist 9.11445 7.30913 9.59741 10.2812 5.24909 7.38821 numMergedOcc 0
20 mol 186 unq 0 iso 0 dist 9.4588 9.55305 8.43722 13.9279 9.45075 9.71223 numMergedOcc 0
21 mol 234 unq 0 iso 0 dist 9.20848 4.12545 6.41452 7.09776 3.75614 4.90407 numMergedOcc 0
22 mol 257 unq 0 iso 0 dist 8.42116 13.3046 6.75578 13.3198 11.5712 8.43067 numMergedOcc 0
23 mol 257 unq 1 iso 0 dist 8.42116 13.3046 6.75578 13.2461 9.42674 7.6127 numMergedOcc 0
24 mol 257 unq 2 iso 0 dist 8.53984 11.62 6.75578 11.9642 11.5712 8.43067 numMergedOcc 0
25 mol 257 unq 3 iso 0 dist 8.53984 11.62 6.75578 13.3625 9.42674 7.6127 numMergedOcc 0
26 mol 259 unq 0 iso 0 dist 8.87598 4.98212 6.13752 8.93002 5.30516 5.98006 numMergedOcc 0
