0 mol 14 unq 0 iso 0 dist 9.28341 12.5091 8.39221 5.58255 6.38364 7.00835 12.9829 4.15151 7.66311 8.91266 numMergedOcc 0
1 mol 16 unq 0 iso 0 dist 6.68517 10.1407 8.47315 5.65481 4.7319 5.59769 8.62634 6.05535 14.0448 9.04834 numMergedOcc 0
2 mol 102 unq 0 iso 0 dist 8.84131 10.8385 9.10229 8.90571 7.36792 8.17186 6.7095 7.49575 5.43401 9.0361 numMergedOcc 0
3 mol 114 unq 0 iso 0 dist 6.71345 5.67441 8.42445 6.49725 7.5732 7.18757 6.15949 5.24877 5.31281 9.24515 numMergedOcc 0
4 mol 115 unq 0 iso 0 dist 9.50575 9.78923 6.7225 6.68557 5.11551 5.39296 9.60865 5.3967 7.67341 8.35604 numMergedOcc 0
5 mol 115 unq 1 iso 0 dist 9.50575 9.78923 6.7225 6.68557 5.11551 5.39296 5.91786 7.10772 11.1256 7.83568 numMergedOcc 0
6 mol 115 unq 2 iso 0 dist 8.43116 7.46653 6.7225 4.96719 5.11551 5.39296 12.6771 5.3967 7.67341 8.35604 numMergedOcc 0
7 mol 115 unq 3 iso 0 dist 8.43116 7.46653 6.7225 4.96719 5.11551 5.39296 12.4366 7.10772 11.1256 7.83568 numMergedOcc 0
8 mol 133 unq 0 iso 0 dist 7.5055 7.43569 9.4473 10.9541 8.22656 15.4455 14.8428 9.71227 19.033 7.15203 numMergedOcc 0
9 mol 210 unq 0 iso 0 dist 8.58471 15.9233 9.67457 10.3518 6.18308 5.82028 17.8352 13.3929 6.24111 8.07523 numMergedOcc 0
10 mol 210 unq 1 iso 0 dist 8.58471 15.9233 9.67457 10.3518 6.18308 5.82028 15.2952 12.3088 9.00343 7.56882 numMergedOcc 0
11 mol 239 unq 0 iso 0 dist 8.82778 12.7518 6.37342 11.4665 6.16342 5.29737 10.7456 12.1502 10.2234 9.27989 numMergedOcc 0
12 mol 241 unq 0 iso 0 dist 8.23536 4.56189 9.72526 5.50714 7.4631 4.86437 11.0484 7.93809 9.174 6.40592 numMergedOcc 0
13 mol 241 unq 1 iso 0 dist 6.90245 10.121 9.72526 5.3674 7.4631 4.86437 7.16232 7.93809 9.174 6.40592 numMergedOcc 0
14 mol 248 unq 0 iso 0 dist 7.40475 11.0674 8.71859 7.63032 7.69895 4.53213 11.8652 9.48478 8.11968 6.44967 numMergedOcc 0
15 mol 277 unq 0 iso 0 dist 7.23956 7.09461 6.90434 15.6875 9.7748 13.2927 12.3059 5.77904 12.4458 8.35794 numMergedOcc 0
