0 mol 33 unq 0 iso 0 dist 6.42569 5.5138 5.52908 11.8528 9.88964 12.8984 numMergedOcc 0
1 mol 33 unq 1 iso 0 dist 6.42569 5.5138 5.52908 11.9601 7.26522 9.54828 numMergedOcc 0
2 mol 33 unq 2 iso 0 dist 6.42569 5.5138 5.52908 4.90612 7.40467 6.98038 numMergedOcc 0
3 mol 33 unq 3 iso 0 dist 9.13872 9.29927 5.52908 12.1091 9.88964 12.8984 numMergedOcc 0
4 mol 33 unq 4 iso 0 dist 9.13872 9.29927 5.52908 14.3548 7.26522 9.54828 numMergedOcc 0
5 mol 33 unq 5 iso 0 dist 9.13872 9.29927 5.52908 6.0516 7.40467 6.98038 numMergedOcc 0
6 mol 33 unq 6 iso 0 dist 7.27307 8.71323 5.52908 8.25522 9.88964 12.8984 numMergedOcc 0
7 mol 33 unq 7 iso 0 dist 7.27307 8.71323 5.52908 11.1264 7.26522 9.54828 numMergedOcc 0
8 mol 33 unq 8 iso 0 dist 7.27307 8.71323 5.52908 3.70057 7.40467 6.98038 numMergedOcc 0
9 mol 33 unq 9 iso 0 dist 5.73206 10.1727 5.52908 5.18096 9.88964 12.8984 numMergedOcc 0
10 mol 33 unq 10 iso 0 dist 5.73206 10.1727 5.52908 7.41772 7.26522 9.54828 numMergedOcc 0
11 mol 33 unq 11 iso 0 dist 5.73206 10.1727 5.52908 7.35776 7.40467 6.98038 numMergedOcc 0
12 mol 69 unq 0 iso 0 dist 7.00234 8.94791 8.90763 4.89784 8.77132 5.51523 numMergedOcc 0
13 mol 69 unq 1 iso 0 dist 7.30652 4.2124 8.90763 4.50543 8.77132 5.51523 numMergedOcc 0
14 mol 103 unq 0 iso 0 dist 8.75165 6.82008 7.06817 11.5585 9.06479 6.09055 numMergedOcc 0
15 mol 103 unq 1 iso 0 dist 8.75165 6.82008 7.06817 5.74649 9.90038 5.74206 numMergedOcc 0
16 mol 141 unq 0 iso 0 dist 9.73865 10.831 8.07336 10.6467 9.85107 5.72783 numMergedOcc 0
17 mol 141 unq 1 iso 0 dist 8.52591 10.75 8.07336 7.26284 9.85107 5.72783 numMergedOcc 0
18 mol 162 unq 0 iso 0 dist 9.74749 5.76578 8.69722 5.5367 8.6792 9.79606 numMergedOcc 0
19 mol 171 unq 0 iso 0 dist 9.1056 4.63854 9.52328 11.7356 5.14185 13.702 numMergedOcc 0
20 mol 186 unq 0 iso 0 dist 7.81904 8.81064 8.10034 5.47232 8.16906 9.8972 numMergedOcc 0
21 mol 186 unq 1 iso 0 dist 7.81904 8.81064 8.10034 14.0944 9.14238 16.8173 numMergedOcc 0
22 mol 195 unq 0 iso 0 dist 9.04342 13.221 9.02695 13.0074 7.92844 4.52076 numMergedOcc 0
23 mol 210 unq 0 iso 0 dist 8.83997 5.3169 8.4932 5.68184 8.8066 7.39136 numMergedOcc 0
24 mol 214 unq 0 iso 0 dist 7.08083 4.42442 9.54096 9.15048 5.96047 10.9046 numMergedOcc 0
25 mol 225 unq 0 iso 0 dist 6.97662 4.95393 9.24959 7.22036 9.61686 12.0918 numMergedOcc 0
26 mol 233 unq 0 iso 0 dist 8.01777 5.89828 9.40942 5.72267 6.92165 4.5483 numMergedOcc 0
27 mol 233 unq 1 iso 0 dist 8.01777 8.98176 6.56138 5.72267 6.92165 7.18401 numMergedOcc 0
28 mol 268 unq 0 iso 0 dist 9.73984 10.5447 6.87426 13.715 8.87745 4.53264 numMergedOcc 0
