0 mol 33 unq 0 iso 0 dist 8.28474 5.27955 4.78873 11.3844 3.63113 7.97002 numMergedOcc 0
1 mol 34 unq 0 iso 0 dist 8.91193 13.9794 9.48125 15.3869 8.52974 8.73053 numMergedOcc 0
2 mol 34 unq 1 iso 0 dist 8.91193 13.9794 9.48125 13.3032 5.27925 7.07087 numMergedOcc 0
3 mol 48 unq 0 iso 0 dist 9.05694 8.28032 5.54472 11.7398 6.25072 9.55284 numMergedOcc 0
4 mol 48 unq 1 iso 0 dist 9.05694 8.28032 5.54472 12.9684 6.64874 7.36877 numMergedOcc 0
5 mol 48 unq 2 iso 0 dist 7.37491 7.84827 9.05737 11.4224 9.165 7.90416 numMergedOcc 0
6 mol 48 unq 3 iso 0 dist 8.69081 8.60738 5.37439 12.6963 6.42565 6.89752 numMergedOcc 0
7 mol 83 unq 0 iso 0 dist 9.55089 11.1698 7.50925 12.2 4.48523 5.13041 numMergedOcc 0
8 mol 90 unq 0 iso 0 dist 9.47481 7.58344 5.24346 14.136 6.65219 7.01987 numMergedOcc 0
9 mol 101 unq 0 iso 0 dist 8.83779 5.42817 8.19144 12.3322 9.71802 7.33426 numMergedOcc 0
10 mol 101 unq 1 iso 0 dist 8.83779 5.42817 8.19144 7.42633 4.97717 8.17175 numMergedOcc 0
11 mol 101 unq 2 iso 0 dist 8.91685 4.19577 8.19144 9.39649 9.71802 7.33426 numMergedOcc 0
12 mol 101 unq 3 iso 0 dist 8.91685 4.19577 8.19144 10.68 4.97717 8.17175 numMergedOcc 0
13 mol 141 unq 0 iso 0 dist 9.80185 14.6304 4.88514 13.8368 6.1672 5.28634 numMergedOcc 0
14 mol 168 unq 0 iso 0 dist 7.93917 10.6411 5.86767 11.2715 3.60864 5.64732 numMergedOcc 0
15 mol 168 unq 1 iso 0 dist 7.93917 8.64743 5.28353 11.2715 3.60864 5.52214 numMergedOcc 0
16 mol 254 unq 0 iso 0 dist 5.39865 9.02593 7.85841 13.0438 9.22906 9.83135 numMergedOcc 0
17 mol 254 unq 1 iso 0 dist 5.0346 9.02593 9.20109 13.0438 12.319 9.83135 numMergedOcc 0
18 mol 266 unq 0 iso 0 dist 7.66814 13.3286 9.9965 19.7059 16.6916 7.74133 numMergedOcc 0
19 mol 287 unq 0 iso 0 dist 7.81225 4.01495 6.24487 9.10727 5.1451 5.44942 numMergedOcc 0
20 mol 287 unq 1 iso 0 dist 7.81225 4.01495 6.24487 11.371 7.5241 8.53689 numMergedOcc 0
21 mol 287 unq 2 iso 0 dist 7.81225 4.01495 6.24487 7.92464 5.15725 7.82157 numMergedOcc 0
22 mol 288 unq 0 iso 0 dist 7.81225 4.01495 6.24487 9.10727 5.1451 5.44942 numMergedOcc 0
23 mol 288 unq 1 iso 0 dist 7.81225 4.01495 6.24487 11.371 7.5241 8.53689 numMergedOcc 0
24 mol 288 unq 2 iso 0 dist 7.81225 4.01495 6.24487 7.92464 5.15725 7.82157 numMergedOcc 0
25 mol 289 unq 0 iso 0 dist 7.81225 4.01495 6.24487 9.10727 5.1451 5.44942 numMergedOcc 0
26 mol 289 unq 1 iso 0 dist 7.81225 4.01495 6.24487 11.371 7.5241 8.53689 numMergedOcc 0
27 mol 289 unq 2 iso 0 dist 7.81225 4.01495 6.24487 7.92464 5.15725 7.82157 numMergedOcc 0
