0 mol 39 unq 0 iso 0 dist 9.45639 8.83903 7.45237 13.0804 6.42104 8.43814 12.5913 7.401 6.47855 10.3659 numMergedOcc 0
1 mol 39 unq 1 iso 0 dist 9.45639 8.83903 7.45237 14.6231 6.42248 8.16689 12.5913 7.401 6.47855 5.7332 numMergedOcc 0
2 mol 39 unq 2 iso 0 dist 5.00126 5.92759 7.45237 7.54441 6.42104 8.43814 9.70029 7.401 6.47855 10.3659 numMergedOcc 0
3 mol 39 unq 3 iso 0 dist 5.00126 5.92759 7.45237 9.84326 6.42248 8.16689 9.70029 7.401 6.47855 5.7332 numMergedOcc 0
4 mol 45 unq 0 iso 0 dist 9.17045 10.9036 6.99408 7.62709 7.39653 8.13782 15.5531 8.26635 7.21995 9.85038 numMergedOcc 0
5 mol 45 unq 1 iso 0 dist 9.17045 10.9036 6.99408 7.62709 7.39653 8.13782 19.2824 13.4503 9.62637 13.1805 numMergedOcc 0
6 mol 45 unq 2 iso 0 dist 6.32012 5.19805 6.99408 10.7365 7.39653 8.13782 10.5379 8.26635 7.21995 9.85038 numMergedOcc 0
7 mol 45 unq 3 iso 0 dist 6.32012 5.19805 6.99408 10.7365 7.39653 8.13782 14.0326 13.4503 9.62637 13.1805 numMergedOcc 0
8 mol 114 unq 0 iso 0 dist 9.62866 11.5609 6.73814 14.7904 12.1324 9.86739 20.2931 13.7032 9.83981 9.47219 numMergedOcc 0
9 mol 114 unq 1 iso 0 dist 9.62866 11.5609 6.73814 7.81181 6.95201 8.39249 20.2931 13.7032 9.83981 14.0577 numMergedOcc 0
10 mol 114 unq 2 iso 0 dist 9.62866 11.5609 6.73814 15.2785 5.9968 8.93623 20.2931 13.7032 9.83981 10.6837 numMergedOcc 0
11 mol 115 unq 0 iso 0 dist 8.97043 11.6637 7.64585 15.3564 10.7942 6.40036 14.9051 6.40494 7.52142 9.65908 numMergedOcc 0
12 mol 134 unq 0 iso 0 dist 6.54987 6.63186 7.77454 10.6753 10.7186 6.4218 11.45 11.147 6.93279 12.2578 numMergedOcc 0
13 mol 140 unq 0 iso 0 dist 9.68229 5.35291 6.95323 6.29125 6.69673 5.63811 10.2706 5.64422 8.60108 4.35399 numMergedOcc 0
14 mol 140 unq 1 iso 0 dist 9.68229 5.35291 6.95323 12.2218 5.58533 7.49546 10.2706 5.64422 8.60108 9.73775 numMergedOcc 0
15 mol 141 unq 0 iso 0 dist 7.34465 11.9359 6.93652 13.9485 7.57216 6.2135 13.2114 7.42649 5.26989 8.7258 numMergedOcc 0
16 mol 141 unq 1 iso 0 dist 7.34465 11.9359 6.93652 13.9485 7.57216 6.2135 17.7174 10.6531 7.76442 6.67552 numMergedOcc 0
17 mol 227 unq 0 iso 0 dist 9.60159 7.35206 8.17891 15.267 13.3557 7.95168 11.7218 10.9607 7.57454 9.75331 numMergedOcc 0
18 mol 232 unq 0 iso 0 dist 8.89211 6.12197 7.07392 14.3123 6.66754 9.86861 6.71099 6.2188 7.10413 10.4271 numMergedOcc 0
19 mol 259 unq 0 iso 0 dist 6.94113 8.36147 7.50578 13.9853 11.5772 8.76313 14.5778 14.3125 8.92185 5.19922 numMergedOcc 0
20 mol 259 unq 1 iso 0 dist 6.94113 8.36147 7.50578 12.5807 7.44916 7.4363 14.5778 14.3125 8.92185 10.2977 numMergedOcc 0
