0 mol 33 unq 0 iso 0 dist 7.54108 5.25185 6.3902 9.76851 4.20737 6.11016 numMergedOcc 0
1 mol 43 unq 0 iso 0 dist 9.76585 6.90686 7.32236 13.2094 4.99287 9.52295 numMergedOcc 0
2 mol 44 unq 0 iso 0 dist 7.44869 4.1456 6.15703 9.25641 4.38569 8.49525 numMergedOcc 0
3 mol 53 unq 0 iso 0 dist 7.94701 3.82548 6.05264 8.42237 5.34876 4.7864 numMergedOcc 0
4 mol 54 unq 0 iso 0 dist 9.51017 9.87442 6.32539 14.3662 7.47787 6.00709 numMergedOcc 0
5 mol 54 unq 1 iso 0 dist 8.47212 5.89001 6.32539 8.87476 7.47787 6.00709 numMergedOcc 0
6 mol 73 unq 0 iso 0 dist 9.27044 6.73631 9.8821 10.9862 5.89334 7.70787 numMergedOcc 0
7 mol 73 unq 1 iso 0 dist 8.98208 6.73631 8.80003 10.9862 6.63464 7.70787 numMergedOcc 0
8 mol 81 unq 0 iso 0 dist 8.9672 3.55079 9.13248 5.96486 4.57548 6.22059 numMergedOcc 0
9 mol 81 unq 1 iso 0 dist 9.80754 3.55079 9.03754 5.96486 8.00722 6.22059 numMergedOcc 0
10 mol 114 unq 0 iso 0 dist 8.79677 3.46142 9.68809 8.53731 6.76815 6.8458 numMergedOcc 0
11 mol 152 unq 0 iso 0 dist 9.66811 13.2207 9.17101 14.3301 4.81561 9.06801 numMergedOcc 0
12 mol 154 unq 0 iso 0 dist 8.65008 11.2153 9.2828 19.0746 15.6506 9.19804 numMergedOcc 0
13 mol 167 unq 0 iso 0 dist 9.63473 15.7623 9.50912 16.3816 9.13316 6.00793 numMergedOcc 0
14 mol 167 unq 1 iso 0 dist 8.39087 11.3036 9.50912 10.5186 9.13316 6.00793 numMergedOcc 0
15 mol 187 unq 0 iso 0 dist 7.87608 5.9319 8.38922 7.81168 4.75665 5.14547 numMergedOcc 0
16 mol 222 unq 0 iso 0 dist 4.87053 6.37759 8.60727 10.9808 13.0561 8.33743 numMergedOcc 0
17 mol 232 unq 0 iso 0 dist 9.82645 9.87235 4.79504 18.2454 10.7649 9.62797 numMergedOcc 0
18 mol 232 unq 1 iso 0 dist 9.82645 9.87235 4.79504 16.0651 7.93509 6.69874 numMergedOcc 0
19 mol 232 unq 2 iso 0 dist 9.82645 9.87235 4.79504 13.0319 4.44276 5.40264 numMergedOcc 0
20 mol 232 unq 3 iso 0 dist 9.82645 9.87235 4.79504 10.8236 4.31175 7.91491 numMergedOcc 0
21 mol 266 unq 0 iso 0 dist 7.3055 16.1506 9.96942 11.5029 4.39397 7.01175 numMergedOcc 0
22 mol 266 unq 1 iso 0 dist 7.3055 16.1506 9.96942 16.638 9.47559 7.50074 numMergedOcc 0
23 mol 273 unq 0 iso 0 dist 9.20043 7.23337 9.7209 8.65593 4.23758 9.66208 numMergedOcc 0
24 mol 283 unq 0 iso 0 dist 5.90728 3.27256 4.1631 8.36393 4.01355 7.81415 numMergedOcc 0
25 mol 287 unq 0 iso 0 dist 6.19545 13.3799 9.82863 14.3787 8.76196 6.08044 numMergedOcc 0
26 mol 287 unq 1 iso 0 dist 6.19545 13.3799 9.82863 14.5526 10.0477 8.8956 numMergedOcc 0
27 mol 288 unq 0 iso 0 dist 6.19545 13.3799 9.82863 14.3787 8.76196 6.08044 numMergedOcc 0
28 mol 288 unq 1 iso 0 dist 6.19545 13.3799 9.82863 14.5526 10.0477 8.8956 numMergedOcc 0
29 mol 289 unq 0 iso 0 dist 6.19545 13.3799 9.82863 14.3787 8.76196 6.08044 numMergedOcc 0
30 mol 289 unq 1 iso 0 dist 6.19545 13.3799 9.82863 14.5526 10.0477 8.8956 numMergedOcc 0
