0 mol 8 unq 0 iso 0 dist 9.11545 8.79897 6.04779 10.9865 8.68949 7.74386 numMergedOcc 0
1 mol 28 unq 0 iso 0 dist 8.24316 6.75443 6.94749 6.18197 13.3907 8.48456 numMergedOcc 0
2 mol 28 unq 1 iso 0 dist 8.24316 9.02508 7.04268 13.6562 14.0551 7.24073 numMergedOcc 0
3 mol 28 unq 2 iso 0 dist 8.24316 8.44081 6.5776 12.3614 14.4056 8.24422 numMergedOcc 0
4 mol 28 unq 3 iso 0 dist 8.24316 8.44081 6.5776 9.5295 14.203 8.99724 numMergedOcc 0
5 mol 59 unq 0 iso 0 dist 8.26423 8.34508 12.2794 9.54356 17.4282 9.92079 numMergedOcc 0
6 mol 59 unq 1 iso 0 dist 8.21972 8.34508 10.0511 9.54356 11.5 9.92079 numMergedOcc 0
7 mol 63 unq 0 iso 0 dist 6.57773 8.1123 9.57875 4.24825 7.44913 9.56188 numMergedOcc 0
8 mol 67 unq 0 iso 0 dist 9.77899 9.46659 12.8718 4.89257 7.15248 9.8048 numMergedOcc 0
9 mol 67 unq 1 iso 0 dist 9.10105 9.46659 9.08666 4.89257 8.43162 9.8048 numMergedOcc 0
10 mol 98 unq 0 iso 0 dist 5.1232 8.6969 7.33104 13.8647 11.051 7.14505 numMergedOcc 0
11 mol 98 unq 1 iso 0 dist 5.1232 9.18318 6.89658 13.8647 11.051 4.7588 numMergedOcc 0
12 mol 98 unq 2 iso 0 dist 4.76168 7.94124 7.33104 8.18784 11.051 7.14505 numMergedOcc 0
13 mol 98 unq 3 iso 0 dist 4.76168 5.92298 6.89658 8.18784 11.051 4.7588 numMergedOcc 0
14 mol 103 unq 0 iso 0 dist 7.3729 7.4348 9.81267 13.5908 18.1245 8.88401 numMergedOcc 0
15 mol 114 unq 0 iso 0 dist 9.26301 5.09285 7.22809 13.76 9.45174 8.75093 numMergedOcc 0
16 mol 128 unq 0 iso 0 dist 7.33617 9.83003 11.552 5.54195 10.7302 6.93718 numMergedOcc 0
17 mol 205 unq 0 iso 0 dist 6.73513 5.70397 5.07259 11.9426 6.43519 8.27071 numMergedOcc 0
18 mol 205 unq 1 iso 0 dist 6.73513 4.67361 6.25023 4.69923 10.7551 8.63185 numMergedOcc 0
19 mol 205 unq 2 iso 0 dist 6.73513 4.67361 6.25023 7.90201 4.81837 7.25362 numMergedOcc 0
20 mol 271 unq 0 iso 0 dist 7.90629 7.88092 7.94329 6.04262 9.50884 5.76281 numMergedOcc 0
21 mol 279 unq 0 iso 0 dist 6.08524 4.54596 6.25345 9.899 14.5527 8.51994 numMergedOcc 0
22 mol 279 unq 1 iso 0 dist 8.9885 8.32942 6.25345 12.7813 14.5527 8.51994 numMergedOcc 0
23 mol 294 unq 0 iso 0 dist 7.15278 9.83069 9.503 6.49126 6.37998 8.46311 numMergedOcc 0
