0 mol 34 unq 0 iso 0 dist 7.87317 9.95442 9.36125 11.9718 6.87871 13.9927 numMergedOcc 0
1 mol 64 unq 0 iso 0 dist 8.00221 8.73104 5.29079 4.23724 6.6003 9.80142 numMergedOcc 0
2 mol 64 unq 1 iso 0 dist 8.00221 8.73104 5.29079 9.75948 6.44118 11.3203 numMergedOcc 0
3 mol 64 unq 2 iso 0 dist 8.00221 9.31622 5.78769 4.23724 6.6003 9.54144 numMergedOcc 0
4 mol 64 unq 3 iso 0 dist 8.00221 9.31622 5.78769 9.75948 6.44118 11.3063 numMergedOcc 0
5 mol 100 unq 0 iso 0 dist 6.98876 6.18729 5.07584 4.58978 7.88564 4.76815 numMergedOcc 0
6 mol 110 unq 0 iso 0 dist 7.67702 9.58164 5.17209 9.86374 7.21229 11.7786 numMergedOcc 0
7 mol 110 unq 1 iso 0 dist 7.67702 9.58164 5.17209 5.33778 5.25492 9.24502 numMergedOcc 0
8 mol 117 unq 0 iso 0 dist 5.38954 9.77482 12.4058 5.17524 7.70533 6.62561 numMergedOcc 0
9 mol 117 unq 1 iso 0 dist 5.38954 9.0428 9.30367 5.17524 7.70533 13.4462 numMergedOcc 0
10 mol 141 unq 0 iso 0 dist 7.97262 7.6461 9.82776 4.93029 6.42756 6.93652 numMergedOcc 0
11 mol 205 unq 0 iso 0 dist 7.9678 9.70674 12.652 9.7129 8.43584 15.3072 numMergedOcc 0
12 mol 210 unq 0 iso 0 dist 8.14413 6.94875 9.42795 5.06314 9.67457 10.1086 numMergedOcc 0
13 mol 234 unq 0 iso 0 dist 9.5831 6.553 11.2839 11.5103 5.89084 15.004 numMergedOcc 0
14 mol 234 unq 1 iso 0 dist 9.5831 6.553 11.2839 4.98993 8.47009 10.8628 numMergedOcc 0
15 mol 234 unq 2 iso 0 dist 9.5831 6.5097 11.9454 11.5103 5.89084 16.1247 numMergedOcc 0
16 mol 234 unq 3 iso 0 dist 9.5831 6.5097 11.9454 4.98993 8.47009 11.1284 numMergedOcc 0
17 mol 238 unq 0 iso 0 dist 5.59164 9.13022 6.23871 5.77573 6.83152 12.0632 numMergedOcc 0
18 mol 238 unq 1 iso 0 dist 5.59164 9.13022 6.23871 4.67735 5.24313 7.67322 numMergedOcc 0
19 mol 258 unq 0 iso 0 dist 7.42888 8.20751 5.28906 5.29393 5.73296 6.49982 numMergedOcc 0
20 mol 265 unq 0 iso 0 dist 5.14122 5.88787 4.98228 11.5005 9.59213 14.0933 numMergedOcc 0
