0 mol 44 unq 0 iso 0 dist 7.20409 4.53848 7.61923 5.93729 5.12876 5.11941 numMergedOcc 0
1 mol 44 unq 1 iso 0 dist 7.20409 4.53848 7.61923 8.94497 6.85995 5.84744 numMergedOcc 0
2 mol 44 unq 2 iso 0 dist 7.20409 4.53848 7.61923 9.7328 10.0258 7.7864 numMergedOcc 0
3 mol 44 unq 3 iso 0 dist 5.93729 4.53848 5.11941 7.20409 5.12876 7.61923 numMergedOcc 0
4 mol 44 unq 4 iso 0 dist 5.93729 4.53848 5.11941 8.94497 4.19085 5.84744 numMergedOcc 0
5 mol 44 unq 5 iso 0 dist 5.93729 4.53848 5.11941 9.7328 5.12368 7.7864 numMergedOcc 0
6 mol 44 unq 6 iso 0 dist 9.7328 4.53848 7.7864 7.20409 10.0258 7.61923 numMergedOcc 0
7 mol 44 unq 7 iso 0 dist 9.7328 4.53848 7.7864 5.93729 5.12368 5.11941 numMergedOcc 0
8 mol 44 unq 8 iso 0 dist 9.7328 4.53848 7.7864 8.94497 5.46286 5.84744 numMergedOcc 0
9 mol 46 unq 0 iso 0 dist 7.19406 6.51519 7.57749 14.4357 14.9502 8.55202 numMergedOcc 0
10 mol 78 unq 0 iso 0 dist 5.8409 10.8182 7.32064 8.13368 3.93133 4.62314 numMergedOcc 0
11 mol 78 unq 1 iso 0 dist 5.8409 9.73666 5.24136 8.13368 3.93133 4.41745 numMergedOcc 0
12 mol 78 unq 2 iso 0 dist 5.8409 3.48199 5.85007 8.13368 3.93133 6.35234 numMergedOcc 0
13 mol 78 unq 3 iso 0 dist 8.13368 10.8182 4.62314 5.8409 3.93133 7.32064 numMergedOcc 0
14 mol 78 unq 4 iso 0 dist 8.13368 9.73666 4.41745 5.8409 3.93133 5.24136 numMergedOcc 0
15 mol 78 unq 5 iso 0 dist 8.13368 3.48199 6.35234 5.8409 3.93133 5.85007 numMergedOcc 0
16 mol 98 unq 0 iso 0 dist 4.3761 4.54306 5.33961 10.6512 8.92716 9.29816 numMergedOcc 0
17 mol 98 unq 1 iso 0 dist 4.3761 4.54306 5.33961 5.84583 9.29713 5.08983 numMergedOcc 0
18 mol 98 unq 2 iso 0 dist 6.31509 5.43272 7.34638 6.14782 4.24815 6.0995 numMergedOcc 0
19 mol 98 unq 3 iso 0 dist 6.14782 5.43272 6.0995 6.31509 4.24815 7.34638 numMergedOcc 0
20 mol 98 unq 4 iso 0 dist 5.84583 4.54306 5.08983 4.3761 9.29713 5.33961 numMergedOcc 0
21 mol 98 unq 5 iso 0 dist 5.84583 4.54306 5.08983 10.6512 12.4118 9.29816 numMergedOcc 0
22 mol 113 unq 0 iso 0 dist 6.28645 8.50179 6.12348 14.3885 11.0841 7.2672 numMergedOcc 0
23 mol 129 unq 0 iso 0 dist 4.76012 5.75588 6.53559 11.3542 10.4144 8.09774 numMergedOcc 0
24 mol 169 unq 0 iso 0 dist 6.57161 8.66931 6.27683 14.6982 11.0771 7.1757 numMergedOcc 0
25 mol 225 unq 0 iso 0 dist 9.14778 7.46055 9.99149 10.1826 3.94159 9.49163 numMergedOcc 0
26 mol 233 unq 0 iso 0 dist 7.09902 8.26863 7.1229 16.043 10.3006 9.55705 numMergedOcc 0
27 mol 233 unq 1 iso 0 dist 8.73545 7.83075 7.1229 8.14581 10.3006 9.55705 numMergedOcc 0
28 mol 233 unq 2 iso 0 dist 8.14581 7.83075 9.55705 8.73545 10.3006 7.1229 numMergedOcc 0
29 mol 264 unq 0 iso 0 dist 5.03174 4.66338 7.19658 13.0943 12.3243 9.13546 numMergedOcc 0
30 mol 264 unq 1 iso 0 dist 7.22743 10.3972 7.19658 18.4101 12.3243 9.13546 numMergedOcc 0
