0 mol 16 unq 0 iso 0 dist 6.28033 5.40044 4.7319 6.64634 7.65889 6.86055 9.9153 6.51133 6.72833 5.94982 numMergedOcc 0
1 mol 25 unq 0 iso 0 dist 6.23095 10.747 7.31767 11.9503 7.6114 6.10919 11.0789 5.68392 9.79094 6.29797 numMergedOcc 0
2 mol 25 unq 1 iso 0 dist 6.23095 11.5983 6.03987 11.9503 7.6114 5.86705 11.0789 5.68392 6.85556 6.29797 numMergedOcc 0
3 mol 72 unq 0 iso 0 dist 6.7212 11.6369 9.96708 11.1406 9.55118 5.69391 16.4419 11.6378 9.27838 7.58875 numMergedOcc 0
4 mol 72 unq 1 iso 0 dist 6.7212 6.12361 9.78528 11.1406 9.55118 9.78221 16.4419 11.6378 16.0048 7.58875 numMergedOcc 0
5 mol 73 unq 0 iso 0 dist 8.124 13.4367 6.19304 15.7072 8.68662 6.20232 13.2119 6.56633 9.24757 8.96616 numMergedOcc 0
6 mol 73 unq 1 iso 0 dist 8.124 13.4367 6.19304 15.2252 7.4369 5.70116 13.2119 6.56633 9.24757 6.14542 numMergedOcc 0
7 mol 100 unq 0 iso 0 dist 8.22596 5.11615 8.87449 12.9651 9.90751 9.72773 13.4931 6.12107 12.0685 7.81446 numMergedOcc 0
8 mol 100 unq 1 iso 0 dist 8.22596 5.11615 8.87449 13.0711 9.21662 9.39125 13.4931 6.12107 12.0685 6.55173 numMergedOcc 0
9 mol 100 unq 2 iso 0 dist 8.22596 5.11615 8.87449 13.0711 9.21662 9.39125 12.0939 5.42531 10.9242 6.59691 numMergedOcc 0
10 mol 119 unq 0 iso 0 dist 8.62648 4.6251 8.73993 12.6962 7.64052 9.68677 19.8226 12.0175 17.8739 8.67537 numMergedOcc 0
11 mol 134 unq 0 iso 0 dist 7.27598 6.50005 6.37586 12.487 7.93372 8.06642 9.95528 5.29786 6.23142 9.0176 numMergedOcc 0
12 mol 134 unq 1 iso 0 dist 7.27598 12.0971 9.71307 12.487 7.93372 4.00092 9.95528 5.29786 9.94764 9.0176 numMergedOcc 0
13 mol 181 unq 0 iso 0 dist 8.90247 5.114 9.1374 11.9701 9.76212 12.9532 11.3392 4.43096 12.4878 7.35884 numMergedOcc 0
14 mol 181 unq 1 iso 0 dist 8.90247 14.0828 8.03334 11.9701 9.76212 6.50233 11.3392 4.43096 6.46704 7.35884 numMergedOcc 0
15 mol 227 unq 0 iso 0 dist 9.60159 7.51316 7.22101 5.19262 5.23634 5.0317 11.9075 6.35849 7.43071 9.18728 numMergedOcc 0
16 mol 227 unq 1 iso 0 dist 9.60159 7.51316 7.22101 5.19262 5.23634 5.0317 11.7218 10.9607 5.41321 8.91971 numMergedOcc 0
17 mol 227 unq 2 iso 0 dist 9.60159 6.38287 7.09863 5.19262 5.23634 5.83175 11.9075 6.35849 6.02296 9.18728 numMergedOcc 0
18 mol 227 unq 3 iso 0 dist 9.60159 6.38287 7.09863 5.19262 5.23634 5.83175 11.7218 10.9607 9.74265 8.91971 numMergedOcc 0
19 mol 232 unq 0 iso 0 dist 9.95045 12.5761 8.27212 13.3209 6.71524 5.10213 11.8822 4.9377 9.40808 9.9183 numMergedOcc 0
20 mol 239 unq 0 iso 0 dist 6.83046 4.77446 6.16342 8.15025 6.73665 10.6736 10.3846 11.169 11.308 8.95511 numMergedOcc 0
21 mol 239 unq 1 iso 0 dist 6.83046 4.77446 6.16342 8.15025 6.73665 10.6736 8.24494 5.88931 10.3435 5.85002 numMergedOcc 0
