0 mol 60 unq 0 iso 0 dist 5.83937 6.36945 4.32336 12.0661 7.57295 11.6363 numMergedOcc 0
1 mol 89 unq 0 iso 0 dist 9.58625 9.63477 9.7012 3.30729 8.40422 9.38326 numMergedOcc 0
2 mol 89 unq 1 iso 0 dist 6.36021 9.63477 4.30591 3.30729 5.51831 9.38326 numMergedOcc 0
3 mol 109 unq 0 iso 0 dist 6.31633 9.08102 9.44195 6.54844 9.77497 14.849 numMergedOcc 0
4 mol 109 unq 1 iso 0 dist 7.21115 9.08102 4.26194 7.53568 9.89083 11.5618 numMergedOcc 0
5 mol 142 unq 0 iso 0 dist 7.57458 6.00045 6.05056 9.23267 7.81207 7.80044 numMergedOcc 0
6 mol 142 unq 1 iso 0 dist 7.57458 6.00045 6.05056 13.4776 7.18002 13.1114 numMergedOcc 0
7 mol 182 unq 0 iso 0 dist 7.86625 9.72584 3.8657 4.82437 9.56028 12.0026 numMergedOcc 0
8 mol 206 unq 0 iso 0 dist 9.38127 9.86924 9.20417 8.22172 9.21377 13.2432 numMergedOcc 0
9 mol 206 unq 1 iso 0 dist 6.97859 7.44186 9.20417 5.84459 9.21377 13.2432 numMergedOcc 0
10 mol 214 unq 0 iso 0 dist 8.49704 5.10016 10.2428 4.112 7.46481 9.00312 numMergedOcc 0
11 mol 222 unq 0 iso 0 dist 8.7347 9.77756 13.2353 15.1289 6.74196 19.2483 numMergedOcc 0
12 mol 222 unq 1 iso 0 dist 8.7347 9.77756 13.2353 13.6078 8.36842 20.8614 numMergedOcc 0
13 mol 222 unq 2 iso 0 dist 8.7347 9.77756 13.2353 13.6261 9.75472 21.7922 numMergedOcc 0
14 mol 259 unq 0 iso 0 dist 6.77279 7.94491 4.51538 9.90573 9.07743 12.4452 numMergedOcc 0
15 mol 259 unq 1 iso 0 dist 9.58006 7.94491 9.08426 12.7528 9.63573 17.1347 numMergedOcc 0
16 mol 259 unq 2 iso 0 dist 9.58006 7.94491 9.08426 9.90573 7.66153 12.4452 numMergedOcc 0
17 mol 285 unq 0 iso 0 dist 8.71213 8.45077 6.40962 13.9922 7.80862 11.3287 numMergedOcc 0
