0 mol 34 unq 0 iso 0 dist 8.72742 16.7392 8.64844 15.3125 6.93364 6.97983 numMergedOcc 0
1 mol 34 unq 1 iso 0 dist 8.72742 16.7392 8.64844 12.762 6.34821 10.4068 numMergedOcc 0
2 mol 52 unq 0 iso 0 dist 9.87921 13.3085 8.96804 12.8073 8.65019 8.48826 numMergedOcc 0
3 mol 52 unq 1 iso 0 dist 9.87921 8.11263 7.23669 12.8073 8.65019 6.11606 numMergedOcc 0
4 mol 68 unq 0 iso 0 dist 5.94459 10.4143 7.65992 9.67231 8.80104 12.7743 numMergedOcc 0
5 mol 74 unq 0 iso 0 dist 5.50438 7.50546 8.46846 6.21762 8.2657 7.09879 numMergedOcc 0
6 mol 74 unq 1 iso 0 dist 5.50438 5.35086 7.37827 6.21762 8.2657 6.37457 numMergedOcc 0
7 mol 74 unq 2 iso 0 dist 8.97568 10.8695 8.46846 11.4527 8.2657 7.09879 numMergedOcc 0
8 mol 74 unq 3 iso 0 dist 8.97568 9.38181 7.37827 11.4527 8.2657 6.37457 numMergedOcc 0
9 mol 74 unq 4 iso 0 dist 6.2442 9.76443 9.9321 5.2745 4.79413 5.67386 numMergedOcc 0
10 mol 111 unq 0 iso 0 dist 6.90574 10.2417 8.52122 13.9086 7.92876 8.37101 numMergedOcc 0
11 mol 112 unq 0 iso 0 dist 5.9819 14.1105 9.67948 10.4394 7.82011 5.32838 numMergedOcc 0
12 mol 112 unq 1 iso 0 dist 5.9819 12.1557 6.55773 10.4394 7.82011 7.06309 numMergedOcc 0
13 mol 130 unq 0 iso 0 dist 9.36312 15.106 9.07483 9.17181 7.62145 6.91022 numMergedOcc 0
14 mol 163 unq 0 iso 0 dist 8.74174 12.9432 7.64106 14.2403 8.21476 10.9684 numMergedOcc 0
15 mol 163 unq 1 iso 0 dist 8.74174 12.9432 7.64106 9.45801 7.66897 8.9019 numMergedOcc 0
16 mol 189 unq 0 iso 0 dist 9.5853 10.5365 5.15305 14.9891 9.6013 5.79318 numMergedOcc 0
17 mol 189 unq 1 iso 0 dist 9.5853 10.5365 5.15305 15.4181 8.32712 4.88868 numMergedOcc 0
18 mol 205 unq 0 iso 0 dist 9.88251 10.3459 8.01082 8.36623 5.42696 7.13867 numMergedOcc 0
19 mol 230 unq 0 iso 0 dist 6.47064 14.558 9.03723 10.353 8.85215 8.36854 numMergedOcc 0
20 mol 252 unq 0 iso 0 dist 9.44744 10.7442 9.00798 8.26489 6.57207 6.15482 numMergedOcc 0
21 mol 261 unq 0 iso 0 dist 5.67349 5.79529 9.39571 9.66751 9.24121 13.3708 numMergedOcc 0
22 mol 272 unq 0 iso 0 dist 5.84259 12.3631 7.47128 7.653 6.98048 8.2571 numMergedOcc 0
23 mol 284 unq 0 iso 0 dist 8.79958 8.82182 5.71854 8.84794 8.27054 6.66547 numMergedOcc 0
24 mol 284 unq 1 iso 0 dist 8.79958 12.397 7.66625 8.84794 8.27054 4.83989 numMergedOcc 0
