0 mol 44 unq 0 iso 0 dist 4.52881 7.16036 6.07691 9.5746 7.42925 9.6782 numMergedOcc 0
1 mol 89 unq 0 iso 0 dist 5.37527 8.89514 10.5385 6.64741 9.67681 14.7999 numMergedOcc 0
2 mol 103 unq 0 iso 0 dist 6.13194 5.94478 7.24773 9.41836 9.5002 11.9098 numMergedOcc 0
3 mol 127 unq 0 iso 0 dist 6.46753 9.79448 9.75166 6.77464 8.70738 13.295 numMergedOcc 0
4 mol 131 unq 0 iso 0 dist 6.30762 9.64856 5.29246 6.92937 9.39811 13.7629 numMergedOcc 0
5 mol 131 unq 1 iso 0 dist 6.30762 6.38977 8.25445 6.92937 9.39811 11.832 numMergedOcc 0
6 mol 131 unq 2 iso 0 dist 6.30762 9.69757 11.8349 6.92937 9.39811 12.3881 numMergedOcc 0
7 mol 156 unq 0 iso 0 dist 8.46837 7.39961 9.97803 11.7605 9.6281 13.5699 numMergedOcc 0
8 mol 156 unq 1 iso 0 dist 8.46837 7.80643 5.0966 11.7605 9.6281 9.44367 numMergedOcc 0
9 mol 182 unq 0 iso 0 dist 5.16184 6.31492 5.40949 7.00671 9.68323 6.73956 numMergedOcc 0
10 mol 182 unq 1 iso 0 dist 8.54162 7.8621 5.40949 9.23913 9.68323 6.73956 numMergedOcc 0
11 mol 199 unq 0 iso 0 dist 6.6037 9.09788 5.85782 5.35076 8.64654 12.1621 numMergedOcc 0
12 mol 199 unq 1 iso 0 dist 7.21813 9.09788 10.8434 5.35076 9.43695 12.1621 numMergedOcc 0
13 mol 199 unq 2 iso 0 dist 9.74632 9.09788 8.8932 5.35076 8.32753 12.1621 numMergedOcc 0
14 mol 210 unq 0 iso 0 dist 8.87835 7.19917 5.82028 12.8447 8.87054 13.2105 numMergedOcc 0
15 mol 220 unq 0 iso 0 dist 4.58449 7.96424 10.7787 12.5597 9.05637 14.6002 numMergedOcc 0
16 mol 220 unq 1 iso 0 dist 4.58449 5.40366 5.78532 12.5597 9.05637 8.90237 numMergedOcc 0
17 mol 220 unq 2 iso 0 dist 4.58449 8.93637 6.24624 12.5597 9.05637 6.59716 numMergedOcc 0
18 mol 265 unq 0 iso 0 dist 9.09556 5.81421 5.56416 9.59458 7.49913 6.71375 numMergedOcc 0
19 mol 294 unq 0 iso 0 dist 9.83824 9.6958 5.94839 5.85169 9.7659 12.4505 numMergedOcc 0
20 mol 294 unq 1 iso 0 dist 5.49473 9.6958 12.2027 5.85169 6.1268 12.4505 numMergedOcc 0
