0 mol 5 unq 0 iso 0 dist 6.84403 4.67908 5.63302 5.18743 3.50411 4.55639 numMergedOcc 0
1 mol 5 unq 1 iso 0 dist 6.84403 4.67908 5.63302 9.34574 4.84696 5.70163 numMergedOcc 0
2 mol 5 unq 2 iso 0 dist 5.18743 4.67908 4.55639 6.84403 3.50411 5.63302 numMergedOcc 0
3 mol 5 unq 3 iso 0 dist 5.18743 4.67908 4.55639 9.34574 5.30421 5.70163 numMergedOcc 0
4 mol 28 unq 0 iso 0 dist 6.14086 5.75314 8.96154 6.31487 3.70336 8.90935 numMergedOcc 0
5 mol 28 unq 1 iso 0 dist 6.76158 11.2165 8.96154 7.423 3.70336 8.90935 numMergedOcc 0
6 mol 28 unq 2 iso 0 dist 6.31487 5.75314 8.90935 6.14086 3.70336 8.96154 numMergedOcc 0
7 mol 28 unq 3 iso 0 dist 7.423 11.2165 8.90935 6.76158 3.70336 8.96154 numMergedOcc 0
8 mol 113 unq 0 iso 0 dist 9.00481 14.0323 8.46167 12.7706 5.7147 6.13175 numMergedOcc 0
9 mol 113 unq 1 iso 0 dist 9.00481 14.0323 8.46167 15.5024 8.09465 4.34107 numMergedOcc 0
10 mol 135 unq 0 iso 0 dist 6.08242 12.5833 7.74087 14.4393 9.60019 8.53533 numMergedOcc 0
11 mol 135 unq 1 iso 0 dist 5.60595 9.10599 7.74087 12.3839 9.60019 8.53533 numMergedOcc 0
12 mol 169 unq 0 iso 0 dist 9.3206 8.52499 9.39809 12.4468 5.23644 8.38775 numMergedOcc 0
13 mol 176 unq 0 iso 0 dist 9.5668 14.153 5.60333 11.7715 3.17744 5.58647 numMergedOcc 0
14 mol 176 unq 1 iso 0 dist 9.5668 14.153 5.60333 13.3314 5.47761 8.5733 numMergedOcc 0
15 mol 222 unq 0 iso 0 dist 8.402 3.86183 8.91499 11.1973 6.29422 9.26283 numMergedOcc 0
16 mol 236 unq 0 iso 0 dist 8.32786 3.55894 8.69082 5.09952 11.7483 8.2521 numMergedOcc 0
17 mol 236 unq 1 iso 0 dist 5.09952 3.55894 8.2521 8.32786 11.7483 8.69082 numMergedOcc 0
18 mol 252 unq 0 iso 0 dist 4.15692 8.43342 8.63893 16.7564 15.1028 9.84342 numMergedOcc 0
19 mol 258 unq 0 iso 0 dist 8.86773 6.84145 5.3772 8.95095 8.91869 7.59138 numMergedOcc 0
20 mol 258 unq 1 iso 0 dist 8.95095 6.84145 7.59138 8.86773 8.91869 5.3772 numMergedOcc 0
21 mol 266 unq 0 iso 0 dist 7.36685 11.735 8.53393 9.03099 3.00605 7.24165 numMergedOcc 0
22 mol 266 unq 1 iso 0 dist 9.20906 11.7937 7.24165 11.936 3.00605 8.53393 numMergedOcc 0
23 mol 266 unq 2 iso 0 dist 9.03099 11.735 7.24165 7.36685 3.00605 8.53393 numMergedOcc 0
