0 mol 26 unq 0 iso 0 dist 5.58467 9.15677 7.42841 16.4682 12.7979 8.34347 15.7188 13.8686 6.73162 7.23546 numMergedOcc 0
1 mol 52 unq 0 iso 0 dist 8.49367 7.68916 12.5654 11.9986 18.7401 9.80098 10.6328 18.1613 7.18176 5.93337 numMergedOcc 0
2 mol 52 unq 1 iso 0 dist 8.49367 7.68916 12.5654 13.3091 19.7579 7.34143 10.6328 18.1613 7.18176 4.5482 numMergedOcc 0
3 mol 70 unq 0 iso 0 dist 4.79868 9.74268 9.69588 6.95018 10.1127 9.65964 10.7301 11.1124 7.92394 6.65811 numMergedOcc 0
4 mol 70 unq 1 iso 0 dist 4.79868 9.74268 9.69588 6.95018 10.1127 9.65964 11.7565 13.657 9.93423 5.47516 numMergedOcc 0
5 mol 70 unq 2 iso 0 dist 4.79868 9.74268 9.69588 6.95018 10.1127 9.65964 12.3296 15.3168 9.34122 11.0952 numMergedOcc 0
6 mol 86 unq 0 iso 0 dist 9.34342 5.49793 4.98527 5.82069 14.315 9.5497 4.51657 9.54683 7.79359 9.68893 numMergedOcc 0
7 mol 127 unq 0 iso 0 dist 6.46753 9.79448 9.75166 7.78467 12.4824 8.14887 11.8721 8.03243 8.59981 14.9761 numMergedOcc 0
8 mol 127 unq 1 iso 0 dist 6.46753 9.79448 9.75166 7.78467 12.4824 8.14887 11.5439 14.4347 7.34519 7.41404 numMergedOcc 0
9 mol 127 unq 2 iso 0 dist 6.46753 9.79448 9.75166 6.02237 8.40046 9.30299 11.8721 8.03243 8.59981 14.085 numMergedOcc 0
10 mol 127 unq 3 iso 0 dist 6.46753 9.79448 9.75166 6.02237 8.40046 9.30299 11.5439 14.4347 7.34519 13.1312 numMergedOcc 0
11 mol 131 unq 0 iso 0 dist 6.30762 9.69757 11.8349 6.82985 11.439 7.12972 12.4356 15.3058 8.6243 6.19596 numMergedOcc 0
12 mol 156 unq 0 iso 0 dist 8.46837 7.80643 5.0966 6.52984 7.30021 7.44554 5.58352 11.6317 9.36805 6.29785 numMergedOcc 0
13 mol 175 unq 0 iso 0 dist 7.01007 8.50904 9.78176 8.09861 10.7272 9.0018 14.6248 18.142 9.31887 11.0415 numMergedOcc 0
14 mol 175 unq 1 iso 0 dist 7.01007 8.50904 9.78176 10.1323 14.7648 7.652 14.6248 18.142 9.31887 5.0384 numMergedOcc 0
15 mol 175 unq 2 iso 0 dist 7.01007 7.04318 6.15969 8.09861 10.7272 5.6234 6.61225 12.2829 9.0664 5.28109 numMergedOcc 0
16 mol 175 unq 3 iso 0 dist 7.01007 7.04318 6.15969 10.1323 14.7648 9.92231 6.61225 12.2829 9.0664 7.14477 numMergedOcc 0
17 mol 182 unq 0 iso 0 dist 5.16184 6.31492 5.40949 7.48422 7.86625 9.31746 5.37421 9.23118 6.73313 11.1088 numMergedOcc 0
18 mol 182 unq 1 iso 0 dist 8.54162 7.8621 5.40949 6.98787 7.86625 9.31746 13.0784 9.23118 6.73313 11.1088 numMergedOcc 0
19 mol 224 unq 0 iso 0 dist 7.73616 7.69537 7.85135 5.92906 13.1222 9.40098 11.3668 15.1149 8.19953 8.64911 numMergedOcc 0
20 mol 224 unq 1 iso 0 dist 7.73616 7.69537 7.85135 5.41675 6.08709 6.61986 11.3668 15.1149 8.19953 10.7113 numMergedOcc 0
21 mol 265 unq 0 iso 0 dist 9.97669 4.96568 5.11366 5.25115 12.3211 8.4218 6.67645 9.01586 6.34034 6.43013 numMergedOcc 0
22 mol 282 unq 0 iso 0 dist 9.40138 7.90792 5.04235 8.93697 5.67266 6.33524 6.63358 10.0733 7.32347 6.3384 numMergedOcc 0
23 mol 282 unq 1 iso 0 dist 8.37963 7.90792 15.4482 8.93697 16.9709 6.33524 6.63358 12.6326 7.32347 6.3384 numMergedOcc 0
