0 mol 8 unq 0 iso 0 dist 5.41248 4.92734 7.36147 7.0822 8.79697 8.33604 7.77271 8.93691 4.85329 6.26865 numMergedOcc 0
1 mol 39 unq 0 iso 0 dist 8.86053 5.00126 8.20173 5.92759 11.9214 7.45237 7.54441 4.40395 6.42104 8.43814 numMergedOcc 0
2 mol 39 unq 1 iso 0 dist 8.86053 5.00126 8.20173 5.92759 11.9214 7.45237 9.84326 10.026 6.42248 8.16689 numMergedOcc 0
3 mol 39 unq 2 iso 0 dist 8.76925 5.00126 8.11238 5.92759 5.1736 7.45237 7.54441 5.93243 6.42104 8.43814 numMergedOcc 0
4 mol 39 unq 3 iso 0 dist 8.76925 5.00126 8.11238 5.92759 5.1736 7.45237 9.84326 5.03446 6.42248 8.16689 numMergedOcc 0
5 mol 114 unq 0 iso 0 dist 6.67941 7.23973 4.26125 5.27409 9.33819 7.12609 10.1301 8.89566 5.31865 7.36816 numMergedOcc 0
6 mol 115 unq 0 iso 0 dist 9.47253 8.97043 10.1455 11.6637 16.5317 7.64585 15.3564 20.6371 10.7942 6.40036 numMergedOcc 0
7 mol 134 unq 0 iso 0 dist 6.00896 6.54987 4.8408 6.63186 10.5922 7.77454 10.6753 14.4043 10.7186 6.4218 numMergedOcc 0
8 mol 140 unq 0 iso 0 dist 6.55217 9.68229 12.2163 5.35291 10.8779 6.95323 6.29125 10.9472 6.69673 5.63811 numMergedOcc 0
9 mol 140 unq 1 iso 0 dist 6.55217 9.68229 12.2163 5.35291 10.8779 6.95323 12.2218 15.8223 5.58533 7.49546 numMergedOcc 0
10 mol 140 unq 2 iso 0 dist 7.21686 9.68229 9.18193 5.35291 10.246 6.95323 6.29125 8.08387 6.69673 5.63811 numMergedOcc 0
11 mol 140 unq 3 iso 0 dist 7.21686 9.68229 9.18193 5.35291 10.246 6.95323 12.2218 14.0658 5.58533 7.49546 numMergedOcc 0
12 mol 155 unq 0 iso 0 dist 8.3622 5.68636 8.78324 6.79302 12.5457 7.36102 10.6429 14.1617 6.34186 7.37901 numMergedOcc 0
13 mol 224 unq 0 iso 0 dist 8.18749 9.73411 11.2298 9.9234 15.167 6.87664 17.4905 20.5638 9.36098 8.89778 numMergedOcc 0
14 mol 224 unq 1 iso 0 dist 8.18749 9.73411 11.2298 9.9234 15.167 6.87664 14.0429 15.6375 5.29877 9.47554 numMergedOcc 0
15 mol 232 unq 0 iso 0 dist 6.72105 8.89211 10.8978 6.12197 9.94653 7.07392 14.3123 15.4248 6.66754 9.86861 numMergedOcc 0
16 mol 232 unq 1 iso 0 dist 7.96569 8.89211 10.4487 6.12197 7.97572 7.07392 14.3123 13.097 6.66754 9.86861 numMergedOcc 0
17 mol 238 unq 0 iso 0 dist 5.77828 5.67917 5.65008 10.761 14.6928 9.90142 18.5321 20.9711 15.7973 8.70193 numMergedOcc 0
18 mol 238 unq 1 iso 0 dist 5.77828 8.96639 10.5857 10.761 14.6928 5.9216 18.5321 20.9711 10.438 8.70193 numMergedOcc 0
19 mol 238 unq 2 iso 0 dist 7.75366 4.87108 10.3683 5.61491 10.8592 7.49471 11.1167 13.4031 12.1252 6.17025 numMergedOcc 0
20 mol 238 unq 3 iso 0 dist 7.75366 7.64276 10.313 13.3748 14.4244 7.02475 11.1167 13.4031 8.82861 6.65088 numMergedOcc 0
21 mol 238 unq 4 iso 0 dist 7.75366 7.64276 10.313 11.6924 10.2886 7.67322 11.1167 13.4031 8.82861 6.5772 numMergedOcc 0
22 mol 238 unq 5 iso 0 dist 7.75366 7.64276 10.313 5.61491 10.8592 7.19008 11.1167 13.4031 8.82861 6.17025 numMergedOcc 0
23 mol 258 unq 0 iso 0 dist 9.53832 8.40766 11.3925 5.70545 11.2991 6.49982 9.11168 7.16525 5.95565 7.16259 numMergedOcc 0
