0 mol 19 unq 0 iso 0 dist 9.3147 9.79426 17.1338 8.75332 4.99617 13.9869 numMergedOcc 0
1 mol 19 unq 0 iso 1 dist 9.79426 9.3147 17.1338 8.75332 13.9869 4.99617 numMergedOcc 0
2 mol 48 unq 0 iso 0 dist 6.04551 6.31161 9.46719 7.44442 4.96308 7.11559 numMergedOcc 0
3 mol 48 unq 0 iso 1 dist 6.31161 6.04551 9.46719 7.44442 7.11559 4.96308 numMergedOcc 0
4 mol 48 unq 1 iso 0 dist 8.36915 6.01454 8.29103 7.31914 5.09588 5.01407 numMergedOcc 0
5 mol 48 unq 1 iso 1 dist 6.01454 8.36915 8.29103 7.31914 5.01407 5.09588 numMergedOcc 0
6 mol 55 unq 0 iso 0 dist 6.67079 7.14636 5.37162 7.66471 5.41761 9.8912 numMergedOcc 0
7 mol 55 unq 0 iso 1 dist 7.14636 6.67079 5.37162 7.66471 9.8912 5.41761 numMergedOcc 0
8 mol 92 unq 0 iso 0 dist 7.12199 7.90837 8.22066 7.36744 3.98556 6.83871 numMergedOcc 0
9 mol 92 unq 0 iso 1 dist 7.90837 7.12199 8.22066 7.36744 6.83871 3.98556 numMergedOcc 0
10 mol 92 unq 1 iso 0 dist 9.56884 8.67865 14.4981 9.08316 3.74485 11.741 numMergedOcc 0
11 mol 92 unq 1 iso 1 dist 8.67865 9.56884 14.4981 9.08316 11.741 3.74485 numMergedOcc 0
12 mol 92 unq 2 iso 0 dist 9.56884 8.40148 7.79762 9.08316 3.74485 6.7118 numMergedOcc 0
13 mol 92 unq 2 iso 1 dist 8.40148 9.56884 7.79762 9.08316 6.7118 3.74485 numMergedOcc 0
14 mol 92 unq 2 iso 0 dist 8.67865 8.40148 10.1168 9.08316 11.741 6.7118 numMergedOcc 0
15 mol 92 unq 2 iso 1 dist 8.40148 8.67865 10.1168 9.08316 6.7118 11.741 numMergedOcc 0
16 mol 105 unq 0 iso 0 dist 8.80388 7.28156 4.41267 5.74652 9.68577 7.14906 numMergedOcc 0
17 mol 105 unq 0 iso 1 dist 7.28156 8.80388 4.41267 5.74652 7.14906 9.68577 numMergedOcc 0
18 mol 114 unq 0 iso 0 dist 5.31281 8.9922 5.67339 7.73842 10.9798 15.009 numMergedOcc 0
19 mol 114 unq 0 iso 1 dist 8.9922 5.31281 5.67339 7.73842 15.009 10.9798 numMergedOcc 0
20 mol 130 unq 0 iso 0 dist 6.54338 9.39135 4.80422 6.87562 4.79695 8.11667 numMergedOcc 0
21 mol 130 unq 0 iso 1 dist 9.39135 6.54338 4.80422 6.87562 8.11667 4.79695 numMergedOcc 0
22 mol 266 unq 0 iso 0 dist 8.61786 8.42706 11.4983 9.98606 11.1063 17.6604 numMergedOcc 0
23 mol 266 unq 0 iso 1 dist 8.42706 8.61786 11.4983 9.98606 17.6604 11.1063 numMergedOcc 0
24 mol 272 unq 0 iso 0 dist 7.50321 9.61597 5.09845 7.11691 9.0626 8.41005 numMergedOcc 0
25 mol 272 unq 0 iso 1 dist 9.61597 7.50321 5.09845 7.11691 8.41005 9.0626 numMergedOcc 0
26 mol 279 unq 0 iso 0 dist 7.319 6.12742 10.8005 7.88343 9.1711 7.91886 numMergedOcc 0
27 mol 279 unq 0 iso 1 dist 6.12742 7.319 10.8005 7.88343 7.91886 9.1711 numMergedOcc 0
28 mol 279 unq 1 iso 0 dist 7.319 9.45886 12.8532 7.88343 9.1711 12.8975 numMergedOcc 0
29 mol 279 unq 1 iso 1 dist 9.45886 7.319 12.8532 7.88343 12.8975 9.1711 numMergedOcc 0
30 mol 279 unq 2 iso 0 dist 5.78017 8.78203 10.71 7.5355 7.91886 9.00832 numMergedOcc 0
31 mol 279 unq 2 iso 1 dist 8.78203 5.78017 10.71 7.5355 9.00832 7.91886 numMergedOcc 0
32 mol 279 unq 1 iso 0 dist 6.12742 9.45886 5.48262 7.88343 7.91886 12.8975 numMergedOcc 0
33 mol 279 unq 1 iso 1 dist 9.45886 6.12742 5.48262 7.88343 12.8975 7.91886 numMergedOcc 0
34 mol 285 unq 0 iso 0 dist 8.63954 4.74716 6.55738 7.06878 11.6511 6.93502 numMergedOcc 0
35 mol 285 unq 0 iso 1 dist 4.74716 8.63954 6.55738 7.06878 6.93502 11.6511 numMergedOcc 0
