0 mol 11 unq 0 iso 0 dist 6.27964 4.37231 6.79478 12.1543 16.1353 9.53002 10.0711 14.4856 7.85924 5.43238 numMergedOcc 0
1 mol 11 unq 1 iso 0 dist 5.8689 4.80143 6.79478 13.4081 16.1353 9.53002 10.5529 14.4856 7.85924 5.43238 numMergedOcc 0
2 mol 58 unq 0 iso 0 dist 7.93406 4.67517 9.56737 12.3446 17.0485 8.89374 16.4201 22.0835 12.7331 6.96494 numMergedOcc 0
3 mol 58 unq 1 iso 0 dist 7.93406 4.67517 9.56737 12.3446 17.0485 8.89374 10.6522 16.5678 7.05413 7.01363 numMergedOcc 0
4 mol 64 unq 0 iso 0 dist 8.00221 4.23724 6.6003 8.73104 5.29079 9.80142 7.08244 4.97843 4.94316 8.06829 numMergedOcc 0
5 mol 64 unq 1 iso 0 dist 8.00221 4.23724 6.6003 9.31622 5.78769 9.54144 6.26981 9.14856 5.68303 8.4517 numMergedOcc 0
6 mol 69 unq 0 iso 0 dist 8.44831 14.5558 9.74996 12.1098 4.68683 7.04352 4.68695 7.78321 11.1718 9.70189 numMergedOcc 0
7 mol 127 unq 0 iso 0 dist 9.78409 11.3174 8.40046 10.4013 7.34983 9.81878 9.46933 8.03243 14.085 6.3244 numMergedOcc 0
8 mol 141 unq 0 iso 0 dist 7.97262 4.93029 6.42756 7.6461 9.82776 6.93652 4.41049 11.288 7.57216 6.2135 numMergedOcc 0
9 mol 141 unq 1 iso 0 dist 5.82588 4.37081 6.42756 11.0806 9.82776 6.93652 10.945 11.288 7.57216 6.2135 numMergedOcc 0
10 mol 141 unq 2 iso 0 dist 9.90846 5.63656 6.42756 12.1853 9.82776 6.93652 10.6428 11.288 7.57216 6.2135 numMergedOcc 0
11 mol 175 unq 0 iso 0 dist 8.12739 6.87887 5.08206 13.752 11.5085 9.8589 13.8077 14.1664 11.0415 4.79852 numMergedOcc 0
12 mol 224 unq 0 iso 0 dist 9.47309 10.5254 6.56437 16.2571 11.7838 7.06793 15.2106 14.4755 7.98696 8.89778 numMergedOcc 0
13 mol 224 unq 1 iso 0 dist 9.47309 10.5254 6.56437 10.8956 10.4999 6.67585 15.2106 14.4755 7.98696 9.47554 numMergedOcc 0
14 mol 238 unq 0 iso 0 dist 5.59164 4.67735 5.24313 9.9648 5.27451 7.02475 12.618 10.2991 8.82861 6.65088 numMergedOcc 0
15 mol 238 unq 1 iso 0 dist 5.59164 4.67735 5.24313 9.13022 6.23871 7.67322 12.618 10.2991 8.82861 6.5772 numMergedOcc 0
16 mol 238 unq 2 iso 0 dist 5.59164 4.67735 5.24313 10.8178 11.3884 7.19008 12.618 10.2991 8.82861 6.17025 numMergedOcc 0
17 mol 258 unq 0 iso 0 dist 7.42888 5.29393 5.73296 8.20751 5.28906 6.49982 10.6494 9.09553 5.95565 7.16259 numMergedOcc 0
