0 mol 7 unq 0 iso 0 dist 8.94874 8.19144 9.17096 5.77391 7.21217 7.31201 numMergedOcc 0
1 mol 54 unq 0 iso 0 dist 6.10175 8.41365 10.352 5.65405 5.59773 5.02241 numMergedOcc 0
2 mol 92 unq 0 iso 0 dist 4.85152 7.36397 6.12826 11.1785 9.514 10.6071 numMergedOcc 0
3 mol 92 unq 1 iso 0 dist 4.85152 7.36397 6.12826 10.9352 7.84888 11.3858 numMergedOcc 0
4 mol 92 unq 2 iso 0 dist 4.85152 6.58062 5.02124 11.1785 9.514 5.81965 numMergedOcc 0
5 mol 92 unq 3 iso 0 dist 4.85152 6.58062 5.02124 10.9352 7.84888 7.06013 numMergedOcc 0
6 mol 114 unq 0 iso 0 dist 8.592 8.90311 14.8365 4.24853 7.25166 12.1525 numMergedOcc 0
7 mol 114 unq 1 iso 0 dist 8.592 8.90311 14.8365 9.52181 8.42445 10.3172 numMergedOcc 0
8 mol 130 unq 0 iso 0 dist 8.26291 6.16039 12.2551 5.25879 8.54461 9.87631 numMergedOcc 0
9 mol 130 unq 1 iso 0 dist 8.26291 6.16039 12.2551 10.9365 7.83619 13.0127 numMergedOcc 0
10 mol 142 unq 0 iso 0 dist 5.1557 9.93184 7.02723 4.93017 8.48413 14.5907 numMergedOcc 0
11 mol 142 unq 1 iso 0 dist 5.1557 9.93184 7.02723 6.01403 7.57458 11.4757 numMergedOcc 0
12 mol 156 unq 0 iso 0 dist 6.67598 9.40225 10.3893 5.66289 7.30021 6.27641 numMergedOcc 0
13 mol 156 unq 1 iso 0 dist 8.79185 9.40225 7.02779 5.59399 6.71202 10.9818 numMergedOcc 0
14 mol 211 unq 0 iso 0 dist 7.73993 9.62163 11.7695 11.6621 8.63308 17.1917 numMergedOcc 0
15 mol 211 unq 1 iso 0 dist 7.73993 8.48297 9.96364 11.6621 8.63308 17.6838 numMergedOcc 0
16 mol 220 unq 0 iso 0 dist 4.3362 8.57161 7.84277 9.20027 7.31105 6.99002 numMergedOcc 0
17 mol 224 unq 0 iso 0 dist 7.46044 6.04427 7.89905 13.1803 9.75313 12.6391 numMergedOcc 0
18 mol 224 unq 1 iso 0 dist 7.7163 9.97425 5.46434 11.8217 9.34636 7.06793 numMergedOcc 0
19 mol 224 unq 2 iso 0 dist 7.7163 9.97425 5.46434 10.8463 9.79616 10.0414 numMergedOcc 0
20 mol 224 unq 3 iso 0 dist 9.2 9.97425 11.0842 5.44863 9.29703 12.7072 numMergedOcc 0
21 mol 224 unq 4 iso 0 dist 9.06201 8.39753 5.46434 11.9904 9.34636 7.06793 numMergedOcc 0
22 mol 224 unq 5 iso 0 dist 9.06201 8.39753 5.46434 13.0574 9.79616 10.0414 numMergedOcc 0
23 mol 232 unq 0 iso 0 dist 4.46314 8.94854 10.5464 5.20266 8.68464 13.0026 numMergedOcc 0
24 mol 238 unq 0 iso 0 dist 6.32593 5.72415 5.1967 6.53984 9.75174 6.91569 numMergedOcc 0
25 mol 239 unq 0 iso 0 dist 8.78008 9.10967 5.28695 10.9742 9.37996 12.8879 numMergedOcc 0
26 mol 274 unq 0 iso 0 dist 7.24089 9.89613 4.05661 5.56999 6.00877 6.50589 numMergedOcc 0
27 mol 277 unq 0 iso 0 dist 9.42812 8.62043 8.46112 10.7202 8.57532 15.312 numMergedOcc 0
28 mol 277 unq 1 iso 0 dist 9.42812 8.62043 8.46112 17.0927 9.02914 16.8839 numMergedOcc 0
29 mol 277 unq 2 iso 0 dist 9.42812 8.62043 8.46112 16.2915 6.90434 13.3722 numMergedOcc 0
