0 mol 7 unq 0 iso 0 dist 7.10621 5.72491 5.44992 8.72114 13.8829 10.1959 10.515 9.36807 7.45262 9.97624 numMergedOcc 0
1 mol 9 unq 0 iso 0 dist 8.57077 9.78006 3.98483 9.62394 9.5997 7.28672 5.60154 8.47421 8.04924 9.57198 numMergedOcc 0
2 mol 19 unq 0 iso 0 dist 7.20519 6.92532 12.3486 7.75618 4.96411 13.9675 5.5841 9.80108 11.2198 7.02548 numMergedOcc 0
3 mol 19 unq 1 iso 0 dist 4.54938 6.92532 5.18512 7.75618 9.74255 13.9675 5.5841 9.58539 11.2198 7.02548 numMergedOcc 0
4 mol 19 unq 2 iso 0 dist 6.864 6.92532 9.47529 7.75618 7.08342 13.9675 5.5841 8.58657 11.2198 7.02548 numMergedOcc 0
5 mol 25 unq 0 iso 0 dist 5.04899 6.6492 9.20601 9.01548 13.9331 9.12941 4.70708 9.43699 8.5404 6.63839 numMergedOcc 0
6 mol 56 unq 0 iso 0 dist 8.66265 6.77886 6.03623 7.16773 6.63327 8.25666 6.28202 11.465 10.3627 5.84875 numMergedOcc 0
7 mol 114 unq 0 iso 0 dist 7.5732 6.34525 11.128 6.84011 7.436 8.51024 5.31367 12.383 8.06525 8.809 numMergedOcc 0
8 mol 114 unq 1 iso 0 dist 7.5732 6.34525 11.128 6.84011 7.436 8.51024 8.88748 11.5084 11.9332 5.79343 numMergedOcc 0
9 mol 131 unq 0 iso 0 dist 6.85062 9.29384 9.32969 8.70296 14.2045 10.8127 7.90484 14.3377 13.784 9.2235 numMergedOcc 0
10 mol 143 unq 0 iso 0 dist 5.99315 8.41611 12.7056 7.78652 6.48978 15.0801 10.0989 9.60643 18.4236 6.97487 numMergedOcc 0
11 mol 143 unq 1 iso 0 dist 5.99315 8.41611 12.7056 7.78652 6.48978 15.0801 6.01455 9.27292 13.143 6.46089 numMergedOcc 0
12 mol 143 unq 2 iso 0 dist 5.99315 7.63338 12.8872 7.78652 6.48978 11.5146 10.0989 9.60643 14.6045 6.97487 numMergedOcc 0
13 mol 143 unq 3 iso 0 dist 5.99315 7.63338 12.8872 7.78652 6.48978 11.5146 6.01455 9.27292 8.1582 6.46089 numMergedOcc 0
14 mol 143 unq 4 iso 0 dist 5.99315 9.03707 7.76364 7.78652 6.48978 8.97873 10.0989 9.60643 15.2846 6.97487 numMergedOcc 0
15 mol 143 unq 5 iso 0 dist 5.99315 9.03707 7.76364 7.78652 6.48978 8.97873 6.01455 9.27292 12.5074 6.46089 numMergedOcc 0
16 mol 143 unq 6 iso 0 dist 5.99315 7.25673 9.23795 7.78652 6.48978 6.60479 10.0989 9.60643 12.4241 6.97487 numMergedOcc 0
17 mol 143 unq 7 iso 0 dist 5.99315 7.25673 9.23795 7.78652 6.48978 6.60479 6.01455 9.27292 7.88655 6.46089 numMergedOcc 0
18 mol 156 unq 0 iso 0 dist 8.34702 7.73169 5.71107 7.30357 10.4977 8.40261 5.07967 10.7757 7.04913 7.30946 numMergedOcc 0
19 mol 156 unq 1 iso 0 dist 8.34702 5.38091 10.7023 7.30357 10.4977 12.4049 5.07967 10.7757 9.51582 7.30946 numMergedOcc 0
20 mol 156 unq 2 iso 0 dist 9.06726 7.73169 11.2067 7.30357 12.3086 8.40261 5.07967 13.5803 7.04913 7.30946 numMergedOcc 0
21 mol 156 unq 3 iso 0 dist 9.06726 5.38091 9.00862 7.30357 12.3086 12.4049 5.07967 13.5803 9.51582 7.30946 numMergedOcc 0
22 mol 156 unq 4 iso 0 dist 8.33171 7.73169 9.44399 7.30357 7.79535 8.40261 5.07967 11.7927 7.04913 7.30946 numMergedOcc 0
23 mol 156 unq 5 iso 0 dist 8.33171 5.38091 11.1271 7.30357 7.79535 12.4049 5.07967 11.7927 9.51582 7.30946 numMergedOcc 0
24 mol 181 unq 0 iso 0 dist 9.1374 6.51749 13.8722 8.90963 8.91338 13.0913 8.25067 13.2702 11.1398 5.95304 numMergedOcc 0
25 mol 181 unq 1 iso 0 dist 5.98885 6.51749 5.93488 8.90963 9.81073 13.0913 8.25067 10.8351 11.1398 5.95304 numMergedOcc 0
26 mol 181 unq 2 iso 0 dist 9.15386 6.51749 7.64267 8.90963 9.34211 13.0913 8.25067 9.6668 11.1398 5.95304 numMergedOcc 0
27 mol 186 unq 0 iso 0 dist 7.54065 7.20574 8.90184 8.73217 11.7429 11.8992 11.7299 17.7634 17.5514 9.84492 numMergedOcc 0
28 mol 192 unq 0 iso 0 dist 5.59424 7.24199 7.0057 8.77999 8.49529 3.86183 5.71262 8.36822 8.53433 7.33225 numMergedOcc 0
29 mol 192 unq 1 iso 0 dist 7.00794 7.24199 8.51255 8.77999 11.7523 3.86183 5.71262 12.1647 8.53433 7.33225 numMergedOcc 0
30 mol 224 unq 0 iso 0 dist 9.40098 8.37597 6.77927 9.51597 4.98993 10.1672 7.67202 11.1518 11.8382 8.08737 numMergedOcc 0
31 mol 224 unq 1 iso 0 dist 6.61986 8.37597 4.59567 9.51597 12.4692 10.1672 7.67202 12.6391 11.8382 8.08737 numMergedOcc 0
32 mol 227 unq 0 iso 0 dist 9.34734 8.03442 10.2525 5.41321 10.7656 4.59123 6.43754 12.4085 7.1372 7.57454 numMergedOcc 0
33 mol 227 unq 1 iso 0 dist 7.22101 8.03442 10.5813 5.41321 10.9607 4.59123 6.43754 8.17891 7.1372 7.57454 numMergedOcc 0
34 mol 227 unq 2 iso 0 dist 8.65997 8.03442 7.22396 5.41321 9.72615 4.59123 6.43754 6.95902 7.1372 7.57454 numMergedOcc 0
35 mol 227 unq 3 iso 0 dist 7.56888 8.03442 6.10296 5.41321 5.10635 4.59123 6.43754 11.004 7.1372 7.57454 numMergedOcc 0
36 mol 227 unq 4 iso 0 dist 7.55216 8.03442 9.69537 5.41321 6.48027 4.59123 6.43754 12.8864 7.1372 7.57454 numMergedOcc 0
37 mol 234 unq 0 iso 0 dist 8.41436 9.007 8.16888 7.32499 10.7902 5.76537 5.9221 13.651 12.0926 7.43663 numMergedOcc 0
38 mol 234 unq 1 iso 0 dist 8.41436 9.007 8.16888 7.32499 10.7902 5.76537 13.2297 18.6592 12.9449 7.94068 numMergedOcc 0
39 mol 234 unq 2 iso 0 dist 8.92474 9.007 5.3211 7.32499 4.4288 5.76537 5.9221 10.521 12.0926 7.43663 numMergedOcc 0
40 mol 234 unq 3 iso 0 dist 8.92474 9.007 5.3211 7.32499 4.4288 5.76537 13.2297 11.4702 12.9449 7.94068 numMergedOcc 0
41 mol 238 unq 0 iso 0 dist 5.72887 7.32982 12.3808 9.24557 14.7883 4.77308 11.0401 14.1514 10.1049 8.90076 numMergedOcc 0
42 mol 238 unq 1 iso 0 dist 5.72887 7.32982 12.3808 9.24557 14.7883 4.77308 8.85181 13.9989 9.42618 6.87131 numMergedOcc 0
43 mol 238 unq 2 iso 0 dist 5.72887 7.32982 12.3808 9.24557 14.7883 4.77308 11.9142 16.5748 12.0846 8.09718 numMergedOcc 0
44 mol 259 unq 0 iso 0 dist 7.46176 8.55558 5.60748 7.08526 8.81835 6.31909 5.79468 7.48005 6.39918 8.71497 numMergedOcc 0
