0 mol 6 unq 0 iso 0 dist 6.44474 5.83961 4.76488 12.0632 9.07564 8.62458 numMergedOcc 0
1 mol 6 unq 1 iso 0 dist 7.35038 9.56403 4.76488 13.9117 9.07564 8.62458 numMergedOcc 0
2 mol 11 unq 0 iso 0 dist 9.10105 5.3871 4.79838 7.57272 9.89425 9.58844 numMergedOcc 0
3 mol 11 unq 1 iso 0 dist 9.08001 8.45603 4.79838 3.80723 9.89425 9.58844 numMergedOcc 0
4 mol 18 unq 0 iso 0 dist 9.67942 8.23378 8.09187 9.22381 9.46349 5.69024 numMergedOcc 0
5 mol 34 unq 0 iso 0 dist 8.05406 5.74612 9.56614 8.06805 6.52283 10.4688 numMergedOcc 0
6 mol 37 unq 0 iso 0 dist 6.47204 9.85023 8.61124 11.9758 9.59073 3.88248 numMergedOcc 0
7 mol 37 unq 1 iso 0 dist 6.47204 5.94439 5.1625 11.9758 9.59073 6.78844 numMergedOcc 0
8 mol 37 unq 2 iso 0 dist 7.97216 13.6476 8.61124 15.8761 9.59073 3.88248 numMergedOcc 0
9 mol 37 unq 3 iso 0 dist 7.97216 9.85362 5.1625 15.8761 9.59073 6.78844 numMergedOcc 0
10 mol 48 unq 0 iso 0 dist 7.11325 10.0513 7.16443 7.10524 7.78689 8.78858 numMergedOcc 0
11 mol 48 unq 1 iso 0 dist 6.86863 10.056 7.08628 6.85602 7.70645 8.51227 numMergedOcc 0
12 mol 85 unq 0 iso 0 dist 8.09327 12.9946 5.61151 7.98867 4.29937 7.2898 numMergedOcc 0
13 mol 85 unq 1 iso 0 dist 8.09327 12.9946 5.61151 9.38254 3.65628 4.13305 numMergedOcc 0
14 mol 85 unq 2 iso 0 dist 8.09327 12.9946 5.61151 16.6207 9.77774 6.42723 numMergedOcc 0
15 mol 85 unq 3 iso 0 dist 6.7686 12.9946 6.54289 7.98867 5.37869 7.2898 numMergedOcc 0
16 mol 85 unq 4 iso 0 dist 6.7686 12.9946 6.54289 9.38254 4.05415 4.13305 numMergedOcc 0
17 mol 85 unq 5 iso 0 dist 6.7686 12.9946 6.54289 16.6207 9.97944 6.42723 numMergedOcc 0
18 mol 85 unq 6 iso 0 dist 6.7686 9.55218 7.52869 7.98867 5.37869 8.37735 numMergedOcc 0
19 mol 85 unq 7 iso 0 dist 6.7686 9.55218 7.52869 9.38254 4.05415 6.66973 numMergedOcc 0
20 mol 85 unq 8 iso 0 dist 6.7686 9.55218 7.52869 16.6207 9.97944 13.5088 numMergedOcc 0
21 mol 85 unq 9 iso 0 dist 6.7686 9.57545 9.18945 7.98867 5.37869 6.17924 numMergedOcc 0
22 mol 85 unq 10 iso 0 dist 6.7686 9.57545 9.18945 9.38254 4.05415 7.15173 numMergedOcc 0
23 mol 85 unq 11 iso 0 dist 6.7686 9.57545 9.18945 16.6207 9.97944 16.574 numMergedOcc 0
24 mol 123 unq 0 iso 0 dist 6.46129 7.22945 8.53618 9.1262 4.14492 9.7027 numMergedOcc 0
25 mol 123 unq 1 iso 0 dist 7.7316 11.6568 8.53618 8.88403 4.14492 9.7027 numMergedOcc 0
26 mol 213 unq 0 iso 0 dist 7.46064 13.3708 6.8984 14.1353 9.02881 4.31175 numMergedOcc 0
27 mol 213 unq 1 iso 0 dist 7.46064 13.4229 7.77553 14.1353 9.02881 4.89372 numMergedOcc 0
28 mol 286 unq 0 iso 0 dist 7.23838 4.16842 6.44288 4.5958 8.75926 8.0943 numMergedOcc 0
29 mol 286 unq 1 iso 0 dist 6.53774 4.65965 6.44288 7.23688 8.75926 8.0943 numMergedOcc 0
30 mol 286 unq 2 iso 0 dist 9.36107 10.2412 6.44288 3.20495 8.75926 8.0943 numMergedOcc 0
31 mol 287 unq 0 iso 0 dist 6.00177 4.21227 7.1388 5.78092 8.32982 6.79087 numMergedOcc 0
32 mol 288 unq 0 iso 0 dist 6.00177 4.21227 7.1388 5.78092 8.32982 6.79087 numMergedOcc 0
33 mol 289 unq 0 iso 0 dist 6.00177 4.21227 7.1388 5.78092 8.32982 6.79087 numMergedOcc 0
