0 mol 29 unq 0 iso 0 dist 8.53135 8.58191 5.97852 7.27473 7.28761 11.6346 numMergedOcc 0
1 mol 44 unq 0 iso 0 dist 6.11574 9.1276 9.9674 6.09549 6.24688 13.5704 numMergedOcc 0
2 mol 54 unq 0 iso 0 dist 9.96522 9.63348 5.19429 10.3846 8.76844 11.8456 numMergedOcc 0
3 mol 56 unq 0 iso 0 dist 4.80247 7.89184 3.54989 6.79286 8.15885 8.66216 numMergedOcc 0
4 mol 56 unq 1 iso 0 dist 4.80247 7.89184 3.54989 4.23822 7.43523 9.42328 numMergedOcc 0
5 mol 56 unq 2 iso 0 dist 4.80247 5.91948 4.67834 6.79286 8.15885 10.1802 numMergedOcc 0
6 mol 56 unq 3 iso 0 dist 4.80247 5.91948 4.67834 4.23822 7.43523 9.52578 numMergedOcc 0
7 mol 81 unq 0 iso 0 dist 9.24998 7.81965 9.94655 4.69212 6.94359 10.7967 numMergedOcc 0
8 mol 142 unq 0 iso 0 dist 7.21779 5.90339 4.65943 4.89854 8.20354 7.80044 numMergedOcc 0
9 mol 154 unq 0 iso 0 dist 4.62366 6.91511 4.65363 10.1962 9.33737 13.761 numMergedOcc 0
10 mol 154 unq 1 iso 0 dist 4.62366 6.91511 4.65363 12.9179 8.32789 8.43524 numMergedOcc 0
11 mol 212 unq 0 iso 0 dist 7.98724 8.43638 7.52135 12.2629 9.65678 14.2684 numMergedOcc 0
12 mol 222 unq 0 iso 0 dist 5.17916 7.61739 6.4817 8.66522 8.60727 14.277 numMergedOcc 0
13 mol 222 unq 1 iso 0 dist 5.17916 9.59191 8.05936 8.66522 8.60727 16.2837 numMergedOcc 0
14 mol 239 unq 0 iso 0 dist 7.10828 6.0567 7.26668 13.6835 9.90442 8.44521 numMergedOcc 0
15 mol 240 unq 0 iso 0 dist 6.50985 9.42898 8.76686 6.01197 8.46413 14.752 numMergedOcc 0
16 mol 240 unq 1 iso 0 dist 6.50985 5.53403 5.34658 6.01197 8.46413 7.39852 numMergedOcc 0
17 mol 260 unq 0 iso 0 dist 8.13605 9.68232 7.02274 8.72592 7.8339 14.0681 numMergedOcc 0
18 mol 260 unq 1 iso 0 dist 8.13605 8.29663 4.58993 8.72592 7.8339 11.7154 numMergedOcc 0
19 mol 261 unq 0 iso 0 dist 8.25759 9.4157 6.97209 14.9805 9.66703 16.1034 numMergedOcc 0
20 mol 283 unq 0 iso 0 dist 6.93798 8.39635 5.55396 8.33215 4.1631 8.47034 numMergedOcc 0
