0 mol 20 unq 0 iso 0 dist 9.84657 5.1402 6.93199 4.98775 6.09002 4.49303 numMergedOcc 0
1 mol 26 unq 0 iso 0 dist 9.15677 15.7188 6.73162 12.9455 7.98005 8.62111 numMergedOcc 0
2 mol 26 unq 1 iso 0 dist 9.15677 15.7188 6.73162 14.2359 8.31381 9.18438 numMergedOcc 0
3 mol 26 unq 2 iso 0 dist 9.61029 7.95969 6.73162 5.34406 7.98005 8.62111 numMergedOcc 0
4 mol 26 unq 3 iso 0 dist 9.61029 7.95969 6.73162 11.3355 8.31381 9.18438 numMergedOcc 0
5 mol 52 unq 0 iso 0 dist 7.68916 10.6328 7.18176 4.49773 6.22221 6.35905 numMergedOcc 0
6 mol 52 unq 1 iso 0 dist 7.47417 10.4155 7.18176 7.15496 6.22221 6.35905 numMergedOcc 0
7 mol 58 unq 0 iso 0 dist 8.52969 12.9126 8.26899 10.567 9.4278 13.4402 numMergedOcc 0
8 mol 114 unq 0 iso 0 dist 5.87387 6.2394 8.71128 10.4408 9.93438 5.80637 numMergedOcc 0
9 mol 117 unq 0 iso 0 dist 8.76613 6.29379 7.20326 3.45896 7.78789 6.69019 numMergedOcc 0
10 mol 117 unq 1 iso 0 dist 8.76613 6.29379 7.20326 8.51501 7.42146 4.18875 numMergedOcc 0
11 mol 127 unq 0 iso 0 dist 9.79448 11.8721 8.59981 10.4591 5.39356 6.92548 numMergedOcc 0
12 mol 127 unq 1 iso 0 dist 9.79448 11.8721 8.59981 12.2845 9.92746 16.8777 numMergedOcc 0
13 mol 127 unq 2 iso 0 dist 9.79448 11.5439 7.34519 10.4591 5.39356 5.87751 numMergedOcc 0
14 mol 127 unq 3 iso 0 dist 9.79448 11.5439 7.34519 12.2845 9.92746 5.08112 numMergedOcc 0
15 mol 132 unq 0 iso 0 dist 9.0339 9.29705 6.03703 10.3456 5.77186 5.82383 numMergedOcc 0
16 mol 141 unq 0 iso 0 dist 4.93035 6.70767 6.93652 6.0008 7.46621 5.72856 numMergedOcc 0
17 mol 213 unq 0 iso 0 dist 6.82185 10.693 6.0965 7.38644 8.82761 14.229 numMergedOcc 0
18 mol 213 unq 1 iso 0 dist 6.82185 12.9129 9.59129 7.38644 8.82761 14.9475 numMergedOcc 0
19 mol 218 unq 0 iso 0 dist 5.52981 10.2333 7.18041 8.95992 6.1896 4.24855 numMergedOcc 0
20 mol 218 unq 1 iso 0 dist 5.52981 10.2333 7.18041 6.50485 6.09255 5.31276 numMergedOcc 0
21 mol 218 unq 2 iso 0 dist 5.52981 6.48676 7.17547 8.95992 6.1896 10.7049 numMergedOcc 0
22 mol 218 unq 3 iso 0 dist 5.52981 6.48676 7.17547 6.50485 6.09255 4.36581 numMergedOcc 0
23 mol 266 unq 0 iso 0 dist 9.27588 10.1704 9.02188 5.83809 8.97531 12.3522 numMergedOcc 0
