0 mol 12 unq 0 iso 0 dist 8.8993 9.41745 6.7002 7.4036 10.5333 10.9547 10.964 9.42122 15.4336 12.511 numMergedOcc 0
1 mol 53 unq 0 iso 0 dist 6.22911 8.61163 4.43656 5.80996 6.40941 5.10859 9.18121 7.57267 10.6776 11.0998 numMergedOcc 0
2 mol 53 unq 1 iso 0 dist 6.76484 7.80805 4.43656 5.66861 6.40941 5.10859 6.53895 7.57267 10.6776 11.0998 numMergedOcc 0
3 mol 54 unq 0 iso 0 dist 6.46263 7.51978 9.65953 5.0478 7.21561 4.29856 6.11985 5.76314 6.13476 6.54052 numMergedOcc 0
4 mol 61 unq 0 iso 0 dist 8.22841 8.60577 6.59479 5.39827 5.3464 9.23414 9.33927 9.4196 12.1803 10.2725 numMergedOcc 0
5 mol 61 unq 1 iso 0 dist 5.74014 8.60577 4.91166 5.39827 6.19026 9.23414 9.33927 7.61513 12.1803 10.2725 numMergedOcc 0
6 mol 91 unq 0 iso 0 dist 8.56547 7.47827 7.45926 7.74952 9.18905 4.57085 7.15993 8.42914 8.00525 4.86532 numMergedOcc 0
7 mol 91 unq 1 iso 0 dist 5.23177 7.47827 5.55005 7.74952 8.00102 4.57085 7.15993 8.17327 8.00525 4.86532 numMergedOcc 0
8 mol 91 unq 2 iso 0 dist 6.77052 7.47827 9.57561 7.74952 11.1564 4.57085 7.15993 9.52936 8.00525 4.86532 numMergedOcc 0
9 mol 100 unq 0 iso 0 dist 7.3098 5.09688 5.06206 8.22984 6.8344 9.75737 6.99392 9.86236 9.62218 11.1428 numMergedOcc 0
10 mol 100 unq 1 iso 0 dist 9.90038 9.91446 11.7157 6.6157 6.8344 7.16919 10.5642 9.86236 17.9671 11.1428 numMergedOcc 0
11 mol 100 unq 2 iso 0 dist 9.90038 9.26343 5.06206 6.6157 6.8344 9.75737 10.5642 9.86236 9.62218 11.1428 numMergedOcc 0
12 mol 125 unq 0 iso 0 dist 9.06392 8.38646 16.5045 8.6317 11.2575 9.20086 5.29844 7.0188 10.0351 5.05869 numMergedOcc 0
13 mol 141 unq 0 iso 0 dist 7.65424 4.93035 4.93029 9.14007 9.90045 7.42649 12.8035 9.1717 12.8991 14.1512 numMergedOcc 0
14 mol 141 unq 1 iso 0 dist 7.65424 4.93035 4.93029 9.14007 9.90045 7.42649 9.85394 8.8319 11.6196 15.5018 numMergedOcc 0
15 mol 141 unq 2 iso 0 dist 7.65424 9.75558 10.28 9.14007 9.90045 9.43674 12.8035 9.1717 18.8257 14.1512 numMergedOcc 0
16 mol 141 unq 3 iso 0 dist 7.65424 9.75558 10.28 9.14007 9.90045 9.43674 9.85394 8.8319 17.7101 15.5018 numMergedOcc 0
17 mol 182 unq 0 iso 0 dist 6.06892 7.8621 11.8631 8.04856 5.91922 9.81003 10.5943 7.37431 15.765 12.3472 numMergedOcc 0
18 mol 196 unq 0 iso 0 dist 7.21836 6.60651 12.7415 6.67699 7.68725 8.50224 6.29554 9.67795 6.40064 9.42877 numMergedOcc 0
