0 mol 11 unq 0 iso 0 dist 6.56599 5.19841 5.43238 7.27588 5.25331 3.56133 numMergedOcc 0
1 mol 11 unq 1 iso 0 dist 6.35021 5.11518 5.43238 7.16699 4.79838 3.66215 numMergedOcc 0
2 mol 34 unq 0 iso 0 dist 6.75771 7.10504 7.71914 11.144 9.25424 4.42374 numMergedOcc 0
3 mol 34 unq 1 iso 0 dist 6.75771 7.10504 7.71914 8.52974 7.69101 3.69607 numMergedOcc 0
4 mol 34 unq 2 iso 0 dist 5.90246 5.80384 7.71914 9.15844 9.25424 4.42374 numMergedOcc 0
5 mol 34 unq 3 iso 0 dist 5.90246 5.80384 7.71914 5.27925 7.69101 3.69607 numMergedOcc 0
6 mol 76 unq 0 iso 0 dist 7.58673 9.47947 9.46312 9.98038 6.92381 3.83015 numMergedOcc 0
7 mol 114 unq 0 iso 0 dist 9.33819 8.89566 7.36816 6.08569 9.26486 5.80637 numMergedOcc 0
8 mol 175 unq 0 iso 0 dist 7.92974 4.43167 6.74517 7.09629 7.6077 6.54263 numMergedOcc 0
9 mol 204 unq 0 iso 0 dist 6.35305 9.31022 5.89018 6.42785 4.51124 3.99343 numMergedOcc 0
10 mol 204 unq 1 iso 0 dist 6.35305 9.31022 5.89018 10.9716 8.41517 11.4601 numMergedOcc 0
11 mol 204 unq 2 iso 0 dist 9.23348 11.6466 5.89018 7.66776 4.51124 3.99343 numMergedOcc 0
12 mol 204 unq 3 iso 0 dist 9.23348 11.6466 5.89018 8.03926 8.41517 11.4601 numMergedOcc 0
13 mol 225 unq 0 iso 0 dist 8.7572 5.14615 8.75834 11.09 9.27079 14.7677 numMergedOcc 0
14 mol 225 unq 1 iso 0 dist 8.7572 11.4309 7.51827 11.09 9.27079 4.10982 numMergedOcc 0
15 mol 232 unq 0 iso 0 dist 9.94653 15.4248 9.86861 14.705 8.49913 4.31097 numMergedOcc 0
16 mol 232 unq 1 iso 0 dist 7.97572 13.097 9.86861 13.3914 8.49913 4.31097 numMergedOcc 0
17 mol 239 unq 0 iso 0 dist 5.58605 9.21335 8.53287 10.7337 9.99181 14.8407 numMergedOcc 0
18 mol 250 unq 0 iso 0 dist 9.45903 4.82553 8.86638 7.35853 8.73744 3.70231 numMergedOcc 0
19 mol 250 unq 1 iso 0 dist 8.51531 4.82553 5.94383 7.35853 6.61917 3.70231 numMergedOcc 0
20 mol 250 unq 2 iso 0 dist 8.51531 11.4033 7.88284 7.35853 6.61917 6.14028 numMergedOcc 0
21 mol 282 unq 0 iso 0 dist 5.98155 5.36361 6.73692 4.56552 8.6262 3.617 numMergedOcc 0
