0 mol 34 unq 0 iso 0 dist 8.8717 7.66913 12.5406 5.39587 12.3532 9.12176 numMergedOcc 0
1 mol 34 unq 1 iso 0 dist 8.8717 7.66913 12.5406 6.47252 6.34254 9.21138 numMergedOcc 0
2 mol 54 unq 0 iso 0 dist 6.22124 9.46449 13.1663 6.94712 10.0644 3.81228 numMergedOcc 0
3 mol 68 unq 0 iso 0 dist 5.94459 8.44761 13.7484 6.09085 9.40469 5.75753 numMergedOcc 0
4 mol 68 unq 1 iso 0 dist 5.94459 6.81124 11.9362 6.09085 9.40469 5.26311 numMergedOcc 0
5 mol 70 unq 0 iso 0 dist 4.67358 6.13606 8.68801 8.63204 9.34622 8.92835 numMergedOcc 0
6 mol 70 unq 1 iso 0 dist 4.67358 6.13606 8.68801 5.4014 5.89735 5.07553 numMergedOcc 0
7 mol 128 unq 0 iso 0 dist 9.23513 9.95168 4.58658 6.78833 5.20584 8.8442 numMergedOcc 0
8 mol 128 unq 1 iso 0 dist 7.90691 4.89256 5.19611 6.6014 9.92243 5.91388 numMergedOcc 0
9 mol 128 unq 2 iso 0 dist 8.83011 4.89256 4.68499 6.6014 9.96803 5.91388 numMergedOcc 0
10 mol 130 unq 0 iso 0 dist 9.36312 7.35647 6.85776 9.47287 4.9576 10.5637 numMergedOcc 0
11 mol 154 unq 0 iso 0 dist 6.03116 8.85675 10.4731 8.59532 9.30554 14.2356 numMergedOcc 0
12 mol 173 unq 0 iso 0 dist 7.87322 8.76228 11.4153 8.46046 10.7636 11.3761 numMergedOcc 0
13 mol 173 unq 1 iso 0 dist 7.87322 8.76228 11.4153 7.48065 9.14584 4.60149 numMergedOcc 0
14 mol 186 unq 0 iso 0 dist 6.59729 8.34668 6.71237 8.9388 9.435 4.03697 numMergedOcc 0
15 mol 186 unq 1 iso 0 dist 6.59729 8.76308 5.91678 8.9388 9.435 14.8715 numMergedOcc 0
16 mol 195 unq 0 iso 0 dist 8.22643 5.0778 6.74112 8.08491 9.48862 5.60628 numMergedOcc 0
17 mol 214 unq 0 iso 0 dist 9.11795 6.90717 7.29498 5.56977 5.52297 3.91276 numMergedOcc 0
18 mol 236 unq 0 iso 0 dist 9.33359 5.27184 5.92456 5.9625 8.32937 3.86189 numMergedOcc 0
19 mol 236 unq 1 iso 0 dist 9.33359 7.98527 10.9807 5.9625 8.32937 5.69926 numMergedOcc 0
20 mol 270 unq 0 iso 0 dist 6.87859 6.97639 5.47584 9.97694 11.0267 9.62847 numMergedOcc 0
21 mol 274 unq 0 iso 0 dist 9.27043 8.18864 9.48249 9.61255 17.5614 16.6645 numMergedOcc 0
22 mol 274 unq 1 iso 0 dist 9.27043 8.18864 9.48249 7.64703 5.41756 10.3776 numMergedOcc 0
23 mol 274 unq 2 iso 0 dist 7.95244 8.18864 12.5573 9.61255 14.6057 16.6645 numMergedOcc 0
24 mol 274 unq 3 iso 0 dist 7.95244 8.18864 12.5573 7.64703 6.522 10.3776 numMergedOcc 0
25 mol 274 unq 4 iso 0 dist 5.57832 8.18864 5.06985 9.61255 15.1159 16.6645 numMergedOcc 0
26 mol 274 unq 5 iso 0 dist 5.57832 8.18864 5.06985 7.64703 7.44746 10.3776 numMergedOcc 0
