0 mol 34 unq 0 iso 0 dist 9.3613 6.20159 13.9758 8.8717 17.5627 4.77186 numMergedOcc 0
1 mol 70 unq 0 iso 0 dist 9.26484 9.29166 10.823 9.33262 14.3985 5.93023 numMergedOcc 0
2 mol 109 unq 0 iso 0 dist 7.6886 9.39787 6.47191 8.39026 12.5938 14.3419 numMergedOcc 0
3 mol 130 unq 0 iso 0 dist 8.65807 9.40368 12.215 9.36312 5.32363 8.438 numMergedOcc 0
4 mol 195 unq 0 iso 0 dist 8.3941 8.77346 10.2689 8.22643 9.48981 12.7228 numMergedOcc 0
5 mol 206 unq 0 iso 0 dist 9.0815 6.28518 13.6293 7.47477 12.4995 9.9437 numMergedOcc 0
6 mol 206 unq 1 iso 0 dist 7.53036 6.09565 7.48857 8.65572 11.8096 12.9835 numMergedOcc 0
7 mol 206 unq 2 iso 0 dist 7.53036 6.09565 7.48857 8.39332 10.879 5.10059 numMergedOcc 0
8 mol 225 unq 0 iso 0 dist 8.33143 9.7268 9.08128 6.06105 6.06047 8.12785 numMergedOcc 0
9 mol 229 unq 0 iso 0 dist 5.99687 9.64316 5.67105 7.09453 5.77507 4.77424 numMergedOcc 0
10 mol 229 unq 1 iso 0 dist 9.84254 7.69711 7.9161 8.69109 12.1951 4.77424 numMergedOcc 0
11 mol 229 unq 2 iso 0 dist 7.10623 7.69711 5.67105 8.69109 5.77507 4.77424 numMergedOcc 0
12 mol 252 unq 0 iso 0 dist 5.41885 6.38041 7.39922 9.45457 11.8314 5.52123 numMergedOcc 0
13 mol 261 unq 0 iso 0 dist 6.93654 9.00616 14.3812 5.67349 11.2562 9.46424 numMergedOcc 0
14 mol 261 unq 1 iso 0 dist 6.93654 6.35699 10.8524 5.67349 11.2562 7.48263 numMergedOcc 0
15 mol 261 unq 2 iso 0 dist 9.66298 9.00616 18.2243 5.67349 13.4429 9.46424 numMergedOcc 0
16 mol 261 unq 3 iso 0 dist 9.66298 6.35699 14.9188 5.67349 13.4429 7.48263 numMergedOcc 0
