0 mol 39 unq 0 iso 0 dist 9.70029 6.37567 6.24515 5.00126 7.401 7.33969 numMergedOcc 0
1 mol 39 unq 1 iso 0 dist 9.70029 5.92759 6.47855 5.00126 7.401 7.45237 numMergedOcc 0
2 mol 54 unq 0 iso 0 dist 9.20373 12.6895 6.30987 10.042 4.29856 5.02241 numMergedOcc 0
3 mol 74 unq 0 iso 0 dist 9.52363 6.32526 8.48471 14.0363 8.1988 8.96501 numMergedOcc 0
4 mol 76 unq 0 iso 0 dist 4.73362 7.5192 7.03226 8.41567 4.85247 6.21982 numMergedOcc 0
5 mol 76 unq 1 iso 0 dist 4.73362 7.5192 7.03226 5.56964 6.45686 8.19682 numMergedOcc 0
6 mol 76 unq 2 iso 0 dist 7.3795 9.82998 7.03226 6.62246 4.85247 6.21982 numMergedOcc 0
7 mol 76 unq 3 iso 0 dist 7.3795 9.82998 7.03226 12.885 6.45686 8.19682 numMergedOcc 0
8 mol 100 unq 0 iso 0 dist 6.36749 10.9911 7.09065 15.2421 9.36726 9.39469 numMergedOcc 0
9 mol 100 unq 1 iso 0 dist 6.36749 10.9911 7.09065 12.9385 7.16919 4.76815 numMergedOcc 0
10 mol 115 unq 0 iso 0 dist 8.95622 10.6656 7.70313 18.3919 14.0688 7.76729 numMergedOcc 0
11 mol 119 unq 0 iso 0 dist 8.05937 11.0594 7.26955 12.9497 5.92984 7.39889 numMergedOcc 0
12 mol 119 unq 1 iso 0 dist 8.05937 11.0594 7.26955 20.3013 15.5019 9.63176 numMergedOcc 0
13 mol 119 unq 2 iso 0 dist 8.05937 11.0594 7.26955 15.2134 10.314 7.44174 numMergedOcc 0
14 mol 141 unq 0 iso 0 dist 8.61279 6.13514 5.26989 12.7314 7.42649 6.93652 numMergedOcc 0
15 mol 141 unq 1 iso 0 dist 8.61279 6.13514 5.26989 15.3635 8.39549 9.54444 numMergedOcc 0
16 mol 156 unq 0 iso 0 dist 8.32841 13.4683 6.05323 10.6253 5.81563 7.36119 numMergedOcc 0
17 mol 156 unq 1 iso 0 dist 6.56065 6.29454 6.05323 10.9888 5.81563 7.36119 numMergedOcc 0
18 mol 156 unq 2 iso 0 dist 6.40435 5.32985 5.81122 10.2339 5.4555 6.27641 numMergedOcc 0
19 mol 181 unq 0 iso 0 dist 9.99409 10.168 5.95304 13.7299 9.34211 9.6668 numMergedOcc 0
20 mol 181 unq 1 iso 0 dist 5.25309 6.09218 7.05653 9.79901 7.77758 4.93785 numMergedOcc 0
21 mol 227 unq 0 iso 0 dist 6.65275 10.2228 7.57454 12.9898 10.9607 8.17891 numMergedOcc 0
22 mol 227 unq 1 iso 0 dist 6.65275 10.2228 7.57454 14.1659 9.72615 6.95902 numMergedOcc 0
23 mol 227 unq 2 iso 0 dist 8.91452 5.38196 9.28891 10.8929 6.67321 8.83563 numMergedOcc 0
24 mol 232 unq 0 iso 0 dist 6.71099 6.12197 7.10413 8.89211 6.2188 7.07392 numMergedOcc 0
25 mol 232 unq 1 iso 0 dist 6.71099 6.12197 7.10413 11.7774 6.09015 9.62952 numMergedOcc 0
26 mol 241 unq 0 iso 0 dist 9.14228 13.6264 8.00537 8.98668 4.90279 6.83797 numMergedOcc 0
27 mol 241 unq 1 iso 0 dist 9.04127 8.78746 8.00537 11.956 4.90279 6.83797 numMergedOcc 0
28 mol 256 unq 0 iso 0 dist 9.31961 6.25507 9.18903 5.98967 7.7384 5.24676 numMergedOcc 0
29 mol 256 unq 1 iso 0 dist 9.31961 6.25507 9.18903 13.8383 11.0837 8.09363 numMergedOcc 0
30 mol 257 unq 0 iso 0 dist 6.8256 9.04362 8.60481 12.056 6.74593 7.27505 numMergedOcc 0
