0 mol 26 unq 0 iso 0 dist 9.43688 7.34549 6.4487 9.08976 9.20028 11.887 numMergedOcc 0
1 mol 26 unq 1 iso 0 dist 8.64424 7.34549 4.52042 9.08976 10.851 11.887 numMergedOcc 0
2 mol 71 unq 0 iso 0 dist 9.50724 9.95096 11.8226 7.79997 5.7955 10.494 numMergedOcc 0
3 mol 71 unq 1 iso 0 dist 9.50724 9.95096 11.8226 8.5293 6.03865 6.28521 numMergedOcc 0
4 mol 71 unq 2 iso 0 dist 9.50724 9.95096 11.8226 8.54194 10.986 7.82416 numMergedOcc 0
5 mol 71 unq 3 iso 0 dist 7.87671 9.95096 6.23234 7.79997 4.41736 10.494 numMergedOcc 0
6 mol 71 unq 4 iso 0 dist 7.87671 9.95096 6.23234 8.5293 5.25908 6.28521 numMergedOcc 0
7 mol 71 unq 5 iso 0 dist 7.87671 9.95096 6.23234 8.54194 10.2227 7.82416 numMergedOcc 0
8 mol 90 unq 0 iso 0 dist 8.04064 9.89618 16.1433 6.11881 5.30537 13.469 numMergedOcc 0
9 mol 93 unq 0 iso 0 dist 9.27407 9.10877 11.0971 5.77804 11.2152 5.33106 numMergedOcc 0
10 mol 147 unq 0 iso 0 dist 7.52211 9.23551 13.5764 7.9061 10.4043 8.59354 numMergedOcc 0
11 mol 147 unq 1 iso 0 dist 7.52211 9.23551 13.5764 4.48898 5.16833 8.54341 numMergedOcc 0
12 mol 181 unq 0 iso 0 dist 8.99149 9.50454 10.4974 7.82604 11.4557 8.93318 numMergedOcc 0
13 mol 181 unq 1 iso 0 dist 8.99149 9.50454 10.4974 8.22583 15.7228 9.60512 numMergedOcc 0
14 mol 181 unq 2 iso 0 dist 8.99149 7.15963 5.65167 7.82604 11.4557 8.25067 numMergedOcc 0
15 mol 181 unq 3 iso 0 dist 8.99149 7.15963 5.65167 8.22583 15.7228 14.8479 numMergedOcc 0
16 mol 196 unq 0 iso 0 dist 8.52655 7.07723 9.06413 8.2841 10.3806 8.91474 numMergedOcc 0
17 mol 220 unq 0 iso 0 dist 9.0526 9.23844 6.69964 5.02756 8.51581 5.21956 numMergedOcc 0
18 mol 238 unq 0 iso 0 dist 9.42047 8.39522 17.8038 6.59305 14.9109 6.20606 numMergedOcc 0
19 mol 238 unq 1 iso 0 dist 9.42047 5.99187 5.17954 6.59305 14.9109 10.4664 numMergedOcc 0
20 mol 238 unq 2 iso 0 dist 9.42047 9.93378 10.061 6.59305 14.9109 13.3539 numMergedOcc 0
21 mol 243 unq 0 iso 0 dist 6.41279 4.89168 7.95216 9.85284 7.08867 7.12868 numMergedOcc 0
22 mol 265 unq 0 iso 0 dist 8.9413 6.78702 11.4819 7.74463 6.10503 6.43013 numMergedOcc 0
23 mol 271 unq 0 iso 0 dist 8.17953 7.06108 6.54748 7.2452 10.6944 9.94943 numMergedOcc 0
24 mol 278 unq 0 iso 0 dist 8.0742 9.65332 13.2124 7.55154 13.5345 11.2893 numMergedOcc 0
