0 mol 10 unq 0 iso 0 dist 8.2106 9.03951 9.13852 11.8048 8.64111 9.39017 numMergedOcc 0
1 mol 30 unq 0 iso 0 dist 8.204 8.90581 8.50024 8.92054 7.03537 13.3066 numMergedOcc 0
2 mol 64 unq 0 iso 0 dist 5.66803 9.23947 8.95689 8.45243 7.32896 5.94373 numMergedOcc 0
3 mol 73 unq 0 iso 0 dist 7.58027 6.82707 12.5165 12.136 9.84068 17.529 numMergedOcc 0
4 mol 73 unq 1 iso 0 dist 4.34694 6.82707 10.5011 12.136 9.40167 17.529 numMergedOcc 0
5 mol 103 unq 0 iso 0 dist 6.79959 9.68619 3.96279 7.12864 7.06817 9.50699 numMergedOcc 0
6 mol 137 unq 0 iso 0 dist 9.1425 9.92905 9.84058 8.16274 8.63323 15.8082 numMergedOcc 0
7 mol 162 unq 0 iso 0 dist 6.59407 6.80226 4.93161 6.16588 9.07511 11.1594 numMergedOcc 0
8 mol 162 unq 1 iso 0 dist 9.96586 8.11292 4.05981 4.73044 8.69722 6.5739 numMergedOcc 0
9 mol 162 unq 2 iso 0 dist 7.30751 8.54006 4.05981 7.07921 8.69722 6.5739 numMergedOcc 0
10 mol 165 unq 0 iso 0 dist 6.85551 5.79029 6.57529 5.54803 6.89325 9.41943 numMergedOcc 0
11 mol 195 unq 0 iso 0 dist 7.2833 9.25935 8.71774 5.44336 9.02695 13.4264 numMergedOcc 0
12 mol 204 unq 0 iso 0 dist 6.20044 9.23676 4.92804 10.7478 9.85636 13.9786 numMergedOcc 0
13 mol 220 unq 0 iso 0 dist 8.57174 7.46122 15.6078 8.20682 9.51136 10.6444 numMergedOcc 0
14 mol 220 unq 1 iso 0 dist 5.25149 8.75712 10.8928 13.2522 9.51136 17.0871 numMergedOcc 0
15 mol 226 unq 0 iso 0 dist 8.74399 5.3747 7.20864 12.0828 9.8349 14.728 numMergedOcc 0
16 mol 244 unq 0 iso 0 dist 7.43391 9.97458 16.3 9.74679 9.88553 18.7596 numMergedOcc 0
17 mol 244 unq 1 iso 0 dist 7.43391 9.97458 16.3 5.65728 8.99869 12.0059 numMergedOcc 0
18 mol 254 unq 0 iso 0 dist 9.54511 7.00841 9.6988 8.12952 8.73899 13.4413 numMergedOcc 0
19 mol 261 unq 0 iso 0 dist 4.85199 6.45102 5.52134 7.98909 8.50063 10.4211 numMergedOcc 0
20 mol 261 unq 1 iso 0 dist 9.13604 9.20425 5.52134 14.4037 8.50063 10.4211 numMergedOcc 0
21 mol 282 unq 0 iso 0 dist 6.04225 8.42086 4.0078 7.34724 8.99154 7.85295 numMergedOcc 0
22 mol 282 unq 1 iso 0 dist 5.00258 7.84236 4.0078 8.67143 8.99154 7.85295 numMergedOcc 0
