0 mol 7 unq 0 iso 0 dist 9.83056 13.9585 7.21217 18.3683 9.17096 7.31201 numMergedOcc 0
1 mol 7 unq 1 iso 0 dist 9.83056 13.9585 7.21217 19.3325 12.4418 9.36807 numMergedOcc 0
2 mol 11 unq 0 iso 0 dist 6.27964 4.37231 6.79478 12.1543 16.1353 9.53002 numMergedOcc 0
3 mol 11 unq 1 iso 0 dist 5.8689 4.80143 6.79478 13.4081 16.1353 9.53002 numMergedOcc 0
4 mol 58 unq 0 iso 0 dist 7.93406 7.71984 7.84983 11.3775 11.5448 9.64665 numMergedOcc 0
5 mol 58 unq 1 iso 0 dist 7.93406 4.67517 9.56737 12.3446 17.0485 8.89374 numMergedOcc 0
6 mol 64 unq 0 iso 0 dist 8.00221 4.23724 6.6003 8.73104 5.29079 9.80142 numMergedOcc 0
7 mol 64 unq 1 iso 0 dist 8.00221 4.23724 6.6003 9.31622 5.78769 9.54144 numMergedOcc 0
8 mol 69 unq 0 iso 0 dist 8.44831 14.5558 9.74996 12.1098 4.68683 7.04352 numMergedOcc 0
9 mol 69 unq 1 iso 0 dist 8.44831 14.5558 9.74996 22.2028 17.5002 8.1114 numMergedOcc 0
10 mol 79 unq 0 iso 0 dist 8.21723 4.98967 8.0614 12.802 12.5495 7.87814 numMergedOcc 0
11 mol 89 unq 0 iso 0 dist 8.45308 8.3977 6.36021 15.035 7.37332 8.75946 numMergedOcc 0
12 mol 100 unq 0 iso 0 dist 6.98876 4.58978 7.88564 6.18729 5.07584 4.76815 numMergedOcc 0
13 mol 117 unq 0 iso 0 dist 5.38954 5.17524 7.70533 9.77482 12.4058 6.62561 numMergedOcc 0
14 mol 127 unq 0 iso 0 dist 9.78409 11.3174 8.40046 10.4013 7.34983 9.81878 numMergedOcc 0
15 mol 141 unq 0 iso 0 dist 7.97262 4.93029 6.42756 7.6461 9.82776 6.93652 numMergedOcc 0
16 mol 141 unq 1 iso 0 dist 5.82588 4.37081 6.42756 11.0806 9.82776 6.93652 numMergedOcc 0
17 mol 141 unq 2 iso 0 dist 9.90846 5.63656 6.42756 12.1853 9.82776 6.93652 numMergedOcc 0
18 mol 175 unq 0 iso 0 dist 8.12739 6.87887 5.08206 13.752 11.5085 9.8589 numMergedOcc 0
19 mol 178 unq 0 iso 0 dist 9.56963 16.8486 8.0974 20.7589 11.6559 8.96511 numMergedOcc 0
20 mol 178 unq 1 iso 0 dist 5.95885 11.6817 8.0974 16.9312 11.6559 8.96511 numMergedOcc 0
21 mol 224 unq 0 iso 0 dist 9.47309 10.5254 6.56437 16.2571 11.7838 7.06793 numMergedOcc 0
22 mol 224 unq 1 iso 0 dist 9.47309 10.5254 6.56437 10.8956 10.4999 6.67585 numMergedOcc 0
23 mol 238 unq 0 iso 0 dist 5.59164 5.77573 6.83152 9.02302 6.03021 5.38637 numMergedOcc 0
24 mol 238 unq 1 iso 0 dist 5.59164 4.67735 5.24313 9.02302 6.03021 6.55759 numMergedOcc 0
25 mol 238 unq 2 iso 0 dist 5.59164 4.67735 5.24313 9.9648 5.27451 7.02475 numMergedOcc 0
26 mol 238 unq 3 iso 0 dist 5.59164 4.67735 5.24313 9.13022 6.23871 7.67322 numMergedOcc 0
27 mol 238 unq 4 iso 0 dist 5.59164 4.67735 5.24313 10.8178 11.3884 7.19008 numMergedOcc 0
28 mol 238 unq 5 iso 0 dist 6.86905 5.88384 5.56719 12.3291 14.7671 9.29858 numMergedOcc 0
29 mol 249 unq 0 iso 0 dist 8.9281 5.0425 5.78121 10.7504 4.16447 8.96876 numMergedOcc 0
30 mol 249 unq 1 iso 0 dist 8.9281 12.6924 7.29898 10.7504 4.16447 8.83735 numMergedOcc 0
31 mol 258 unq 0 iso 0 dist 7.42888 5.29393 5.73296 8.20751 5.28906 6.49982 numMergedOcc 0
32 mol 282 unq 0 iso 0 dist 5.72197 4.36798 5.67266 10.7897 5.41716 8.8673 numMergedOcc 0
