0 mol 20 unq 0 iso 0 dist 8.6615 6.26209 9.0017 13.3826 9.47299 8.72342 numMergedOcc 0
1 mol 62 unq 0 iso 0 dist 6.93243 4.85685 5.83263 6.02731 10.029 8.21895 numMergedOcc 0
2 mol 113 unq 0 iso 0 dist 5.6738 10.3017 8.46167 5.7085 8.69658 7.40338 numMergedOcc 0
3 mol 113 unq 1 iso 0 dist 5.6738 10.3017 8.46167 9.53105 11.1416 6.23759 numMergedOcc 0
4 mol 123 unq 0 iso 0 dist 8.8413 5.04742 8.20345 8.29394 5.25923 9.42762 numMergedOcc 0
5 mol 123 unq 1 iso 0 dist 8.8413 11.4019 5.38148 8.29394 5.25923 7.30244 numMergedOcc 0
6 mol 123 unq 2 iso 0 dist 7.82124 5.02162 8.20345 5.98534 5.25923 9.42762 numMergedOcc 0
7 mol 123 unq 3 iso 0 dist 7.82124 8.90549 5.38148 5.98534 5.25923 7.30244 numMergedOcc 0
8 mol 135 unq 0 iso 0 dist 9.53367 13.4186 7.74087 16.0309 11.7342 7.02963 numMergedOcc 0
9 mol 147 unq 0 iso 0 dist 6.16995 5.76262 9.28718 5.53183 6.67922 9.59327 numMergedOcc 0
10 mol 169 unq 0 iso 0 dist 6.47837 6.5732 9.39809 11.0179 8.16591 7.85698 numMergedOcc 0
11 mol 169 unq 1 iso 0 dist 6.47837 6.5732 9.39809 11.0816 10.2799 6.35799 numMergedOcc 0
12 mol 196 unq 0 iso 0 dist 6.23804 4.20473 8.94198 4.83135 3.68546 6.14222 numMergedOcc 0
13 mol 196 unq 1 iso 0 dist 6.66019 4.20473 9.49159 4.83135 6.56216 6.14222 numMergedOcc 0
14 mol 196 unq 2 iso 0 dist 9.88671 4.20473 8.79306 4.83135 7.25762 6.14222 numMergedOcc 0
15 mol 197 unq 0 iso 0 dist 5.97267 9.17181 9.10527 10.7374 5.47413 9.15715 numMergedOcc 0
16 mol 197 unq 1 iso 0 dist 8.80739 6.10739 9.10527 10.5873 5.47413 9.15715 numMergedOcc 0
17 mol 230 unq 0 iso 0 dist 6.35413 11.621 9.28671 16.0262 13.7681 8.91416 numMergedOcc 0
18 mol 258 unq 0 iso 0 dist 6.26195 3.57554 8.27566 7.41653 11.0519 9.36974 numMergedOcc 0
19 mol 287 unq 0 iso 0 dist 7.64453 15.6386 8.70479 12.5828 5.41757 7.99204 numMergedOcc 0
20 mol 288 unq 0 iso 0 dist 7.64453 15.6386 8.70479 12.5828 5.41757 7.99204 numMergedOcc 0
21 mol 289 unq 0 iso 0 dist 7.64453 15.6386 8.70479 12.5828 5.41757 7.99204 numMergedOcc 0
