0 mol 18 unq 0 iso 0 dist 8.81762 6.91413 11.6899 4.86477 10.1931 9.30649 numMergedOcc 0
1 mol 18 unq 1 iso 0 dist 5.32149 6.91413 5.53824 4.86477 9.1397 9.30649 numMergedOcc 0
2 mol 24 unq 0 iso 0 dist 7.40392 8.15652 4.33963 15.461 13.6588 9.65174 numMergedOcc 0
3 mol 70 unq 0 iso 0 dist 6.77833 4.67358 9.03317 5.00416 11.5684 7.34145 numMergedOcc 0
4 mol 70 unq 1 iso 0 dist 8.30653 9.33262 14.4239 13.3525 16.7853 7.34145 numMergedOcc 0
5 mol 70 unq 2 iso 0 dist 6.91739 9.33262 10.4473 13.3525 15.6274 7.34145 numMergedOcc 0
6 mol 85 unq 0 iso 0 dist 9.9795 8.82052 4.18004 3.93024 12.1279 9.81554 numMergedOcc 0
7 mol 109 unq 0 iso 0 dist 9.26438 9.9387 15.9335 14.2274 22.777 9.67274 numMergedOcc 0
8 mol 111 unq 0 iso 0 dist 6.34542 6.90574 6.39411 11.2375 9.06601 4.72339 numMergedOcc 0
9 mol 111 unq 1 iso 0 dist 6.34542 6.90574 6.39411 10.673 12.4713 6.48902 numMergedOcc 0
10 mol 111 unq 2 iso 0 dist 6.34542 6.90574 6.39411 6.87591 5.98809 7.21505 numMergedOcc 0
11 mol 128 unq 0 iso 0 dist 8.3127 7.03633 4.81686 5.74684 10.6551 7.12765 numMergedOcc 0
12 mol 128 unq 1 iso 0 dist 8.3127 7.03633 4.81686 5.15271 9.9416 6.28471 numMergedOcc 0
13 mol 167 unq 0 iso 0 dist 7.9895 6.6276 6.44546 5.60897 12.3647 8.23119 numMergedOcc 0
14 mol 167 unq 1 iso 0 dist 6.53913 6.6276 5.48292 5.60897 5.36671 8.23119 numMergedOcc 0
15 mol 209 unq 0 iso 0 dist 5.92907 6.43914 4.90038 4.41097 9.98952 9.90699 numMergedOcc 0
16 mol 230 unq 0 iso 0 dist 6.03738 6.47064 10.753 7.72583 12.0072 7.83105 numMergedOcc 0
17 mol 230 unq 1 iso 0 dist 6.03738 6.47064 10.753 11.7343 15.4581 5.63025 numMergedOcc 0
18 mol 252 unq 0 iso 0 dist 6.17985 8.62351 5.89666 14.4633 12.5053 9.76731 numMergedOcc 0
19 mol 252 unq 1 iso 0 dist 6.17985 8.62351 5.89666 12.2716 12.6598 8.38599 numMergedOcc 0
20 mol 252 unq 2 iso 0 dist 7.91348 9.45457 8.24423 5.45887 8.55044 8.38453 numMergedOcc 0
21 mol 281 unq 0 iso 0 dist 9.27716 6.42743 13.9013 14.1665 19.8128 8.2659 numMergedOcc 0
