0 mol 16 unq 0 iso 0 dist 6.36377 9.05346 6.2983 4.78943 5.05803 7.03948 9.30877 5.01101 9.87867 6.42835 numMergedOcc 0
1 mol 16 unq 1 iso 0 dist 6.36377 9.05346 6.2983 4.78943 5.05803 7.03948 9.8871 4.65873 4.68733 6.57331 numMergedOcc 0
2 mol 16 unq 2 iso 0 dist 6.36377 9.05346 6.2983 5.48395 6.31718 5.47769 9.8871 4.65873 4.68733 8.43054 numMergedOcc 0
3 mol 59 unq 0 iso 0 dist 7.7978 8.68726 6.7583 6.8958 7.17396 12.4686 11.5355 7.31539 13.2503 6.56212 numMergedOcc 0
4 mol 117 unq 0 iso 0 dist 6.90827 9.58171 4.91401 10.4485 7.90328 6.62561 15.0886 10.5783 6.95589 6.10127 numMergedOcc 0
5 mol 117 unq 1 iso 0 dist 6.90827 9.58171 4.91401 5.27151 7.83136 7.63616 6.78655 3.55765 5.56883 8.19331 numMergedOcc 0
6 mol 117 unq 2 iso 0 dist 6.90827 9.58171 4.91401 4.45276 7.0603 10.6107 6.78655 3.55765 5.56883 8.85711 numMergedOcc 0
7 mol 131 unq 0 iso 0 dist 6.31125 9.90096 6.19596 5.6098 8.40312 12.5969 9.10434 3.98662 9.23774 9.27976 numMergedOcc 0
8 mol 167 unq 0 iso 0 dist 5.59806 9.19849 6.58937 8.66436 9.87651 8.62646 10.7297 7.87971 4.15547 7.20495 numMergedOcc 0
9 mol 167 unq 1 iso 0 dist 5.59806 9.19849 6.58937 8.66436 9.87651 8.62646 11.298 12.0033 7.0046 9.2289 numMergedOcc 0
10 mol 167 unq 2 iso 0 dist 5.59806 9.19849 6.58937 8.66436 9.87651 8.62646 11.5835 11.6011 6.24722 7.02548 numMergedOcc 0
11 mol 227 unq 0 iso 0 dist 9.07872 8.82471 16.8875 9.9474 7.09863 15.2609 13.0848 5.83175 19.5261 5.23634 numMergedOcc 0
12 mol 232 unq 0 iso 0 dist 9.29752 9.61294 13.5597 9.60401 8.27212 11.4727 12.6048 5.10213 14.5281 6.71524 numMergedOcc 0
13 mol 236 unq 0 iso 0 dist 5.66569 6.98151 6.04825 4.15973 6.27581 5.34718 11.2893 10.5774 13.0765 9.3206 numMergedOcc 0
14 mol 238 unq 0 iso 0 dist 8.59074 9.46582 13.7993 9.18011 5.72887 12.1104 8.56975 7.06793 9.75095 9.72188 numMergedOcc 0
15 mol 238 unq 1 iso 0 dist 8.59074 9.77231 13.069 9.18011 5.72887 9.29858 8.56975 7.06793 11.7938 9.72188 numMergedOcc 0
16 mol 259 unq 0 iso 0 dist 9.12507 8.46351 5.32839 5.59901 5.30224 7.76676 10.7775 4.04513 7.27192 8.03219 numMergedOcc 0
17 mol 259 unq 1 iso 0 dist 9.12507 8.46351 5.32839 5.59901 5.30224 7.76676 4.95855 7.09907 4.61451 6.9899 numMergedOcc 0
