0 mol 9 unq 0 iso 0 dist 7.25179 5.35846 8.72522 6.62605 6.85412 11.0121 numMergedOcc 0
1 mol 9 unq 0 iso 1 dist 8.72522 5.35846 7.25179 11.0121 6.85412 6.62605 numMergedOcc 0
2 mol 9 unq 1 iso 0 dist 7.25179 5.35846 8.72522 4.75933 6.33889 6.35665 numMergedOcc 0
3 mol 9 unq 1 iso 1 dist 8.72522 5.35846 7.25179 6.35665 6.33889 4.75933 numMergedOcc 0
4 mol 26 unq 0 iso 0 dist 7.34549 8.78783 8.09068 7.23551 6.73162 4.03252 numMergedOcc 0
5 mol 26 unq 0 iso 1 dist 8.09068 8.78783 7.34549 4.03252 6.73162 7.23551 numMergedOcc 0
6 mol 26 unq 1 iso 0 dist 7.34549 10.1524 9.72289 7.23551 6.73162 8.34836 numMergedOcc 0
7 mol 26 unq 1 iso 1 dist 9.72289 10.1524 7.34549 8.34836 6.73162 7.23551 numMergedOcc 0
8 mol 26 unq 1 iso 0 dist 8.09068 4.72556 9.72289 4.03252 6.73162 8.34836 numMergedOcc 0
9 mol 26 unq 1 iso 1 dist 9.72289 4.72556 8.09068 8.34836 6.73162 4.03252 numMergedOcc 0
10 mol 73 unq 0 iso 0 dist 6.04163 7.88286 8.88953 11.4785 5.64598 12.0993 numMergedOcc 0
11 mol 73 unq 0 iso 1 dist 8.88953 7.88286 6.04163 12.0993 5.64598 11.4785 numMergedOcc 0
12 mol 90 unq 0 iso 0 dist 4.75701 7.28669 9.89618 8.43244 8.39016 12.4268 numMergedOcc 0
13 mol 90 unq 0 iso 1 dist 9.89618 7.28669 4.75701 12.4268 8.39016 8.43244 numMergedOcc 0
14 mol 134 unq 0 iso 0 dist 8.75736 5.08237 6.76166 9.88404 8.94837 6.15672 numMergedOcc 0
15 mol 134 unq 0 iso 1 dist 6.76166 5.08237 8.75736 6.15672 8.94837 9.88404 numMergedOcc 0
16 mol 134 unq 1 iso 0 dist 6.32178 5.08237 7.2977 9.88404 7.77454 6.15672 numMergedOcc 0
17 mol 134 unq 1 iso 1 dist 7.2977 5.08237 6.32178 6.15672 7.77454 9.88404 numMergedOcc 0
18 mol 140 unq 0 iso 0 dist 6.40792 5.13431 7.81701 9.78198 8.19104 5.88778 numMergedOcc 0
19 mol 140 unq 0 iso 1 dist 7.81701 5.13431 6.40792 5.88778 8.19104 9.78198 numMergedOcc 0
20 mol 178 unq 0 iso 0 dist 7.14849 13.329 8.63718 8.42124 8.96511 8.15374 numMergedOcc 0
21 mol 178 unq 0 iso 1 dist 8.63718 13.329 7.14849 8.15374 8.96511 8.42124 numMergedOcc 0
22 mol 181 unq 0 iso 0 dist 9.50454 14.4101 8.80581 10.9336 6.93764 5.98221 numMergedOcc 0
23 mol 181 unq 0 iso 1 dist 8.80581 14.4101 9.50454 5.98221 6.93764 10.9336 numMergedOcc 0
24 mol 183 unq 0 iso 0 dist 9.09322 11.3698 9.60723 6.93732 7.01383 4.50779 numMergedOcc 0
25 mol 183 unq 0 iso 1 dist 9.60723 11.3698 9.09322 4.50779 7.01383 6.93732 numMergedOcc 0
26 mol 204 unq 0 iso 0 dist 6.20646 9.36519 6.73266 6.27504 5.90931 6.67807 numMergedOcc 0
27 mol 204 unq 0 iso 1 dist 6.73266 9.36519 6.20646 6.67807 5.90931 6.27504 numMergedOcc 0
28 mol 204 unq 1 iso 0 dist 5.5581 6.46748 9.66975 4.70359 9.59333 4.21758 numMergedOcc 0
29 mol 204 unq 1 iso 1 dist 9.66975 6.46748 5.5581 4.21758 9.59333 4.70359 numMergedOcc 0
30 mol 213 unq 0 iso 0 dist 7.22234 6.55181 5.86501 10.6066 6.0965 5.56276 numMergedOcc 0
31 mol 213 unq 0 iso 1 dist 5.86501 6.55181 7.22234 5.56276 6.0965 10.6066 numMergedOcc 0
32 mol 213 unq 1 iso 0 dist 7.22234 6.55181 5.86501 15.6607 9.59129 10.1617 numMergedOcc 0
33 mol 213 unq 1 iso 1 dist 5.86501 6.55181 7.22234 10.1617 9.59129 15.6607 numMergedOcc 0
34 mol 234 unq 0 iso 0 dist 6.15754 6.13759 6.6281 4.48571 6.25105 5.91466 numMergedOcc 0
35 mol 234 unq 0 iso 1 dist 6.6281 6.13759 6.15754 5.91466 6.25105 4.48571 numMergedOcc 0
36 mol 234 unq 1 iso 0 dist 8.9413 13.4027 4.91961 6.40261 9.5707 12.2893 numMergedOcc 0
37 mol 234 unq 1 iso 1 dist 4.91961 13.4027 8.9413 12.2893 9.5707 6.40261 numMergedOcc 0
38 mol 234 unq 2 iso 0 dist 8.9413 13.4027 4.91961 4.48571 7.85175 11.1927 numMergedOcc 0
39 mol 234 unq 2 iso 1 dist 4.91961 13.4027 8.9413 11.1927 7.85175 4.48571 numMergedOcc 0
40 mol 243 unq 0 iso 0 dist 9.39147 5.35679 7.70059 11.562 8.61104 7.2163 numMergedOcc 0
41 mol 243 unq 0 iso 1 dist 7.70059 5.35679 9.39147 7.2163 8.61104 11.562 numMergedOcc 0
42 mol 257 unq 0 iso 0 dist 8.95261 4.45719 7.80336 9.63067 7.14834 5.47761 numMergedOcc 0
43 mol 257 unq 0 iso 1 dist 7.80336 4.45719 8.95261 5.47761 7.14834 9.63067 numMergedOcc 0
