0 mol 24 unq 0 iso 0 dist 9.08536 16.6438 7.69637 15.7396 9.1927 6.85331 22.3451 14.4209 8.91397 9.75144 numMergedOcc 0
1 mol 42 unq 0 iso 0 dist 9.50049 8.14608 5.52834 12.1172 4.38082 8.52254 5.47751 6.51963 6.79455 7.41857 numMergedOcc 0
2 mol 48 unq 0 iso 0 dist 7.99735 13.11 9.53081 17.0309 12.299 5.36645 15.0094 12.851 4.16088 8.09058 numMergedOcc 0
3 mol 48 unq 1 iso 0 dist 9.7516 4.99432 9.53081 10.3214 12.299 5.36645 4.65586 12.851 4.16088 8.09058 numMergedOcc 0
4 mol 64 unq 0 iso 0 dist 7.85826 7.26196 5.66803 10.0975 5.9853 5.54343 10.078 5.1488 5.68492 8.68586 numMergedOcc 0
5 mol 64 unq 1 iso 0 dist 7.85826 7.27834 8.85416 12.9323 6.43864 9.99634 10.0119 7.77991 8.21081 9.80142 numMergedOcc 0
6 mol 64 unq 2 iso 0 dist 7.85826 7.27834 8.85416 12.9323 6.43864 9.99634 10.078 5.1488 11.6323 9.54144 numMergedOcc 0
7 mol 73 unq 0 iso 0 dist 8.93939 16.0604 8.90896 10.7814 4.78435 5.79954 11.4785 6.96647 13.1044 8.70133 numMergedOcc 0
8 mol 76 unq 0 iso 0 dist 7.63813 11.1941 7.48127 15.3417 10.6009 4.83274 21.8295 16.993 13.8036 9.49449 numMergedOcc 0
9 mol 124 unq 0 iso 0 dist 8.45451 12.0208 7.18976 9.5585 5.1738 7.23052 14.7141 11.8954 10.5562 6.83051 numMergedOcc 0
10 mol 124 unq 1 iso 0 dist 8.45451 12.0208 7.18976 9.5585 5.1738 7.23052 14.0899 14.1076 12.5603 9.28376 numMergedOcc 0
11 mol 181 unq 0 iso 0 dist 7.90753 7.11843 9.40718 8.80581 5.32364 9.63295 5.98221 9.23089 10.602 6.93764 numMergedOcc 0
12 mol 189 unq 0 iso 0 dist 9.46859 4.50095 6.38294 12.1108 6.35993 8.57361 10.489 10.5796 8.33972 6.50241 numMergedOcc 0
13 mol 236 unq 0 iso 0 dist 7.61854 11.7831 8.63249 11.0371 13.6195 9.97357 4.47231 10.3387 11.4732 7.17676 numMergedOcc 0
14 mol 236 unq 1 iso 0 dist 7.61854 11.7831 8.63249 11.0371 13.6195 9.97357 11.2391 14.2759 14.1057 6.68463 numMergedOcc 0
15 mol 236 unq 2 iso 0 dist 7.61854 11.7831 8.63249 5.99137 7.45579 6.36941 4.47231 10.3387 11.4732 5.34718 numMergedOcc 0
16 mol 240 unq 0 iso 0 dist 8.24704 7.11628 7.19218 7.0935 5.36005 6.83069 6.65921 10.4148 10.6805 6.15305 numMergedOcc 0
17 mol 240 unq 1 iso 0 dist 8.24704 7.11628 7.19218 7.0935 5.36005 6.83069 10.6145 11.1255 5.79056 8.0951 numMergedOcc 0
18 mol 240 unq 2 iso 0 dist 8.24704 7.11628 7.19218 7.12912 4.4564 9.30995 6.65921 10.4148 10.6805 7.03489 numMergedOcc 0
19 mol 258 unq 0 iso 0 dist 7.87577 4.69752 8.10903 14.1869 13.3533 9.67877 17.9116 18.9608 13.6436 6.49982 numMergedOcc 0
20 mol 258 unq 1 iso 0 dist 5.86702 4.69752 7.25618 14.1869 15.0574 9.67877 17.9116 20.2888 13.6436 6.49982 numMergedOcc 0
