0 mol 30 unq 0 iso 0 dist 6.40398 5.66702 5.19692 10.9094 8.7817 5.59189 numMergedOcc 0
1 mol 30 unq 1 iso 0 dist 6.40398 5.66702 5.19692 11.8694 7.55415 7.78507 numMergedOcc 0
2 mol 43 unq 0 iso 0 dist 9.17687 10.6664 9.41473 14.4151 9.93832 6.6796 numMergedOcc 0
3 mol 43 unq 1 iso 0 dist 9.17687 10.6664 9.41473 10.3283 8.60739 10.2523 numMergedOcc 0
4 mol 51 unq 0 iso 0 dist 8.75256 10.7356 6.94742 5.24913 7.76282 6.43322 numMergedOcc 0
5 mol 133 unq 0 iso 0 dist 9.08064 6.25548 4.7699 8.14279 8.56003 7.50998 numMergedOcc 0
6 mol 171 unq 0 iso 0 dist 9.95454 12.6514 7.11599 6.5015 7.71426 12.3586 numMergedOcc 0
7 mol 171 unq 1 iso 0 dist 9.95454 12.6514 7.11599 6.1522 5.10618 9.45239 numMergedOcc 0
8 mol 171 unq 2 iso 0 dist 9.95454 12.6514 7.11599 16.1675 9.86681 6.08244 numMergedOcc 0
9 mol 188 unq 0 iso 0 dist 8.14959 12.1463 5.77968 11.4039 8.47347 5.5682 numMergedOcc 0
10 mol 188 unq 1 iso 0 dist 5.36962 7.70994 5.77968 6.184 8.47347 5.5682 numMergedOcc 0
11 mol 220 unq 0 iso 0 dist 8.84133 8.66923 6.50846 12.0174 5.45036 4.90657 numMergedOcc 0
12 mol 220 unq 1 iso 0 dist 8.81001 5.3178 6.50846 9.89208 5.45036 4.90657 numMergedOcc 0
13 mol 230 unq 0 iso 0 dist 6.47064 5.58962 5.51163 10.7614 9.09271 5.53578 numMergedOcc 0
14 mol 230 unq 1 iso 0 dist 6.47064 5.58962 5.51163 11.777 7.44838 7.7551 numMergedOcc 0
15 mol 248 unq 0 iso 0 dist 9.97871 9.67994 8.46518 5.8982 6.17052 4.53213 numMergedOcc 0
16 mol 248 unq 1 iso 0 dist 9.97871 9.67994 8.46518 6.17735 9.77666 6.33032 numMergedOcc 0
17 mol 248 unq 2 iso 0 dist 9.08064 11.0674 8.46518 7.63032 6.17052 4.53213 numMergedOcc 0
18 mol 248 unq 3 iso 0 dist 9.08064 11.0674 8.46518 6.42334 9.77666 6.33032 numMergedOcc 0
19 mol 252 unq 0 iso 0 dist 9.45457 10.5861 6.88874 9.00146 6.86945 5.26867 numMergedOcc 0
20 mol 261 unq 0 iso 0 dist 5.67349 14.4684 9.62681 4.63237 5.26434 11.0719 numMergedOcc 0
21 mol 261 unq 1 iso 0 dist 5.67349 14.4684 9.62681 6.39263 8.60026 15.7058 numMergedOcc 0
22 mol 294 unq 0 iso 0 dist 5.78275 6.06378 8.11918 9.13951 7.91611 5.25596 numMergedOcc 0
