0 mol 15 unq 0 iso 0 dist 9.20338 11.7203 8.21493 12.7864 6.33828 7.07399 15.2132 10.0974 4.39605 6.03257 numMergedOcc 0
1 mol 19 unq 0 iso 0 dist 9.04865 12.4435 8.23643 18.8138 14.4867 7.75618 15.5419 11.3136 4.97119 9.95212 numMergedOcc 0
2 mol 32 unq 0 iso 0 dist 8.34024 14.1006 8.68559 8.91744 7.14527 7.99969 10.4533 12.7733 10.8897 8.5315 numMergedOcc 0
3 mol 100 unq 0 iso 0 dist 9.82043 5.2995 6.58204 11.7697 10.0891 7.01812 15.1755 11.9163 10.6848 9.5057 numMergedOcc 0
4 mol 100 unq 1 iso 0 dist 9.82043 7.58985 7.75343 11.7697 10.0891 8.30845 15.1755 11.9163 15.3454 9.5057 numMergedOcc 0
5 mol 156 unq 0 iso 0 dist 8.47477 6.39035 6.27641 13.3315 5.05683 9.4013 8.70841 5.81122 5.4555 8.37434 numMergedOcc 0
6 mol 156 unq 1 iso 0 dist 8.57453 9.27577 6.27641 13.313 5.05683 9.4013 11.3928 5.81122 5.4555 8.37434 numMergedOcc 0
7 mol 184 unq 0 iso 0 dist 5.59438 9.56234 9.52936 10.7055 7.4793 6.42735 15.1262 12.1114 8.08596 7.54099 numMergedOcc 0
8 mol 194 unq 0 iso 0 dist 5.40592 5.03763 6.47873 10.6315 10.7231 8.65535 13.9769 11.4415 11.6598 6.1886 numMergedOcc 0
9 mol 235 unq 0 iso 0 dist 7.29546 5.19684 5.65339 6.86251 7.96337 6.21292 11.1737 6.54825 7.77516 6.94789 numMergedOcc 0
10 mol 235 unq 1 iso 0 dist 8.60471 10.2835 9.43058 18.4708 17.5445 9.21736 17.841 19.8998 11.7254 6.94789 numMergedOcc 0
11 mol 238 unq 0 iso 0 dist 8.61709 5.79022 6.05141 10.8305 11.5793 8.94014 6.1864 6.73446 5.50308 5.92374 numMergedOcc 0
12 mol 238 unq 1 iso 0 dist 8.61709 10.8459 8.09066 10.8305 11.5793 7.02333 6.1864 6.73446 7.11984 5.92374 numMergedOcc 0
13 mol 238 unq 2 iso 0 dist 8.61709 13.1103 7.2766 10.8305 11.5793 8.67864 6.1864 6.73446 7.95232 5.92374 numMergedOcc 0
14 mol 274 unq 0 iso 0 dist 8.33004 15.5637 9.19234 17.0191 12.625 9.45514 18.6943 14.1967 6.52035 7.75216 numMergedOcc 0
15 mol 274 unq 1 iso 0 dist 8.33004 15.5637 9.19234 12.7847 4.60275 6.39866 19.3112 11.4246 6.16703 6.88827 numMergedOcc 0
16 mol 274 unq 2 iso 0 dist 8.33004 15.5637 9.19234 12.7847 4.60275 6.39866 12.3614 9.20749 5.64601 9.16942 numMergedOcc 0
17 mol 274 unq 3 iso 0 dist 5.42845 13.002 9.19234 14.0223 12.625 9.45514 16.3797 14.1967 6.52035 7.75216 numMergedOcc 0
18 mol 274 unq 4 iso 0 dist 5.42845 13.002 9.19234 9.67276 4.60275 6.39866 16.1916 11.4246 6.16703 6.88827 numMergedOcc 0
19 mol 274 unq 5 iso 0 dist 5.42845 13.002 9.19234 9.67276 4.60275 6.39866 10.6481 9.20749 5.64601 9.16942 numMergedOcc 0
20 mol 274 unq 6 iso 0 dist 5.62484 10.2307 9.19234 14.0902 12.625 9.45514 13.8495 14.1967 6.52035 7.75216 numMergedOcc 0
21 mol 274 unq 7 iso 0 dist 5.62484 10.2307 9.19234 9.02661 4.60275 6.39866 14.7933 11.4246 6.16703 6.88827 numMergedOcc 0
22 mol 274 unq 8 iso 0 dist 5.62484 10.2307 9.19234 9.02661 4.60275 6.39866 7.09841 9.20749 5.64601 9.16942 numMergedOcc 0
