0 mol 13 unq 0 iso 0 dist 5.4424 9.44958 6.67016 11.4587 12.1206 8.00865 numMergedOcc 0
1 mol 13 unq 1 iso 0 dist 5.4424 9.44958 6.67016 4.14738 8.05984 9.11447 numMergedOcc 0
2 mol 34 unq 0 iso 0 dist 9.18109 9.69215 18.6875 11.6013 19.0501 9.36424 numMergedOcc 0
3 mol 93 unq 0 iso 0 dist 7.62629 8.42713 13.6486 12.5605 18.0278 7.85041 numMergedOcc 0
4 mol 133 unq 0 iso 0 dist 8.63817 7.34386 9.36571 5.80615 13.3504 9.4062 numMergedOcc 0
5 mol 147 unq 0 iso 0 dist 5.82034 6.4752 9.78167 4.10092 9.7267 5.1101 numMergedOcc 0
6 mol 147 unq 1 iso 0 dist 5.82034 6.4752 9.78167 4.47436 5.96285 7.01133 numMergedOcc 0
7 mol 148 unq 0 iso 0 dist 6.60739 5.06687 6.41267 11.6995 14.3934 8.12589 numMergedOcc 0
8 mol 148 unq 1 iso 0 dist 9.22427 5.06687 6.8578 11.6995 11.144 8.12589 numMergedOcc 0
9 mol 148 unq 2 iso 0 dist 5.55129 5.06687 8.58803 11.6995 16.2171 8.12589 numMergedOcc 0
10 mol 150 unq 0 iso 0 dist 6.71763 5.09809 6.48054 11.8035 14.4313 8.11592 numMergedOcc 0
11 mol 150 unq 1 iso 0 dist 9.32504 5.09809 6.83178 11.8035 11.1402 8.11592 numMergedOcc 0
12 mol 150 unq 2 iso 0 dist 5.53778 5.09809 8.52718 11.8035 16.1905 8.11592 numMergedOcc 0
13 mol 159 unq 0 iso 0 dist 9.129 9.90625 8.3352 8.34466 9.66843 7.13269 numMergedOcc 0
14 mol 163 unq 0 iso 0 dist 9.48142 9.3832 13.5919 14.7696 21.4287 8.21476 numMergedOcc 0
15 mol 163 unq 1 iso 0 dist 9.48142 9.3832 13.5919 9.55472 17.6054 7.66897 numMergedOcc 0
16 mol 252 unq 0 iso 0 dist 8.63848 5.22349 5.48898 7.31906 11.83 6.57207 numMergedOcc 0
17 mol 252 unq 1 iso 0 dist 8.63848 9.81593 13.368 7.31906 11.83 5.2361 numMergedOcc 0
18 mol 252 unq 2 iso 0 dist 8.63848 9.81593 13.368 12.2338 16.887 5.57515 numMergedOcc 0
19 mol 252 unq 3 iso 0 dist 8.63848 9.81593 13.368 14.2535 20.4028 8.28694 numMergedOcc 0
20 mol 264 unq 0 iso 0 dist 9.8799 8.28871 14.6311 9.63193 16.8999 9.42738 numMergedOcc 0
21 mol 277 unq 0 iso 0 dist 8.00159 5.70326 7.29318 7.49914 13.4026 6.73126 numMergedOcc 0
