0 mol 27 unq 0 iso 0 dist 9.48375 6.25033 7.96312 14.7633 16.3577 9.52474 numMergedOcc 0
1 mol 27 unq 1 iso 0 dist 6.85127 6.25033 7.67129 14.7633 16.8196 9.52474 numMergedOcc 0
2 mol 65 unq 0 iso 0 dist 9.1487 4.91428 8.54555 11.2196 10.2068 6.72639 numMergedOcc 0
3 mol 65 unq 1 iso 0 dist 9.1487 4.91428 8.54555 9.38611 5.38234 6.76508 numMergedOcc 0
4 mol 65 unq 2 iso 0 dist 9.1487 7.66509 7.0386 11.0466 5.05869 7.90294 numMergedOcc 0
5 mol 65 unq 3 iso 0 dist 9.1487 7.66509 7.0386 11.2196 10.2068 9.34791 numMergedOcc 0
6 mol 65 unq 4 iso 0 dist 9.1487 7.66509 7.0386 9.38611 5.38234 8.22785 numMergedOcc 0
7 mol 67 unq 0 iso 0 dist 6.57749 7.26324 6.07108 10.7756 6.39047 9.49144 numMergedOcc 0
8 mol 125 unq 0 iso 0 dist 4.81596 6.24872 7.00113 10.0521 5.759 8.76789 numMergedOcc 0
9 mol 125 unq 1 iso 0 dist 4.81596 6.24872 7.00113 8.38646 6.06241 7.73435 numMergedOcc 0
10 mol 125 unq 2 iso 0 dist 4.81596 10.4668 9.85979 10.0521 5.759 9.08382 numMergedOcc 0
11 mol 125 unq 3 iso 0 dist 4.81596 10.4668 9.85979 8.38646 6.06241 9.3778 numMergedOcc 0
12 mol 125 unq 4 iso 0 dist 4.81596 10.4668 9.85979 16.2517 13.5623 7.47069 numMergedOcc 0
13 mol 129 unq 0 iso 0 dist 7.48833 9.81728 7.32407 8.14071 5.99695 9.36851 numMergedOcc 0
14 mol 129 unq 1 iso 0 dist 7.48833 6.95825 6.48695 8.14071 5.99695 4.97175 numMergedOcc 0
15 mol 148 unq 0 iso 0 dist 8.60157 6.57631 6.86997 10.5375 9.70656 9.91993 numMergedOcc 0
16 mol 148 unq 1 iso 0 dist 8.60157 6.57631 6.86997 9.7168 5.77745 9.99156 numMergedOcc 0
17 mol 148 unq 2 iso 0 dist 8.60157 8.40891 7.46919 10.5375 9.70656 6.22055 numMergedOcc 0
18 mol 148 unq 3 iso 0 dist 8.60157 8.40891 7.46919 9.7168 5.77745 8.18085 numMergedOcc 0
19 mol 150 unq 0 iso 0 dist 8.59359 6.56068 6.79381 10.4957 9.69704 9.96691 numMergedOcc 0
20 mol 150 unq 1 iso 0 dist 8.59359 6.56068 6.79381 9.61132 5.71213 9.8656 numMergedOcc 0
21 mol 150 unq 2 iso 0 dist 8.59359 8.32178 7.36989 10.4957 9.69704 6.14675 numMergedOcc 0
22 mol 150 unq 3 iso 0 dist 8.59359 8.32178 7.36989 9.61132 5.71213 7.94889 numMergedOcc 0
23 mol 150 unq 4 iso 0 dist 8.59359 11.7699 8.17805 10.4957 9.69704 9.24244 numMergedOcc 0
24 mol 158 unq 0 iso 0 dist 6.45502 7.33177 8.07946 9.88262 5.23723 8.647 numMergedOcc 0
25 mol 158 unq 1 iso 0 dist 8.66056 11.4363 8.07946 13.7687 5.23723 8.647 numMergedOcc 0
26 mol 174 unq 0 iso 0 dist 9.14165 10.4402 5.07761 18.8553 12.6579 9.87122 numMergedOcc 0
27 mol 204 unq 0 iso 0 dist 4.90334 8.72246 9.46973 16.7202 18.5654 9.68728 numMergedOcc 0
