0 mol 25 unq 0 iso 0 dist 6.5461 9.67946 12.9801 6.04822 7.69713 5.32445 numMergedOcc 0
1 mol 25 unq 1 iso 0 dist 6.5461 9.67946 12.9801 7.72717 5.41737 9.32247 numMergedOcc 0
2 mol 27 unq 0 iso 0 dist 9.11084 6.75307 6.50158 9.21811 13.5146 10.8132 numMergedOcc 0
3 mol 27 unq 1 iso 0 dist 9.11084 7.24775 5.92112 9.21811 13.5146 13.4461 numMergedOcc 0
4 mol 36 unq 0 iso 0 dist 9.0321 7.11464 4.74833 6.1084 12.2373 8.96522 numMergedOcc 0
5 mol 36 unq 1 iso 0 dist 8.88147 7.11464 12.2764 6.1084 3.35055 8.96522 numMergedOcc 0
6 mol 68 unq 0 iso 0 dist 5.97363 7.38868 3.72006 8.2282 6.88888 3.85627 numMergedOcc 0
7 mol 68 unq 1 iso 0 dist 5.97363 9.04129 5.2359 8.2282 6.88888 7.15683 numMergedOcc 0
8 mol 71 unq 0 iso 0 dist 6.01135 5.70431 4.07844 5.21993 3.64347 5.42064 numMergedOcc 0
9 mol 123 unq 0 iso 0 dist 8.57379 5.98187 6.6925 8.36221 6.48535 7.17096 numMergedOcc 0
10 mol 123 unq 1 iso 0 dist 5.87154 7.42186 11.9106 8.6441 11.3179 7.17096 numMergedOcc 0
11 mol 123 unq 2 iso 0 dist 6.82663 7.42186 6.6925 8.6441 6.48535 7.17096 numMergedOcc 0
12 mol 123 unq 3 iso 0 dist 9.93167 9.47346 13.7302 6.70684 7.20593 7.17096 numMergedOcc 0
13 mol 148 unq 0 iso 0 dist 9.62458 9.92375 14.4323 9.8506 16.1985 5.62734 numMergedOcc 0
14 mol 162 unq 0 iso 0 dist 5.96638 9.90113 6.49195 8.64101 3.54419 9.03836 numMergedOcc 0
15 mol 167 unq 0 iso 0 dist 9.08844 7.93807 9.40319 5.57495 6.09401 5.43662 numMergedOcc 0
16 mol 167 unq 1 iso 0 dist 9.08844 7.93807 9.40319 9.38297 5.75062 5.95858 numMergedOcc 0
17 mol 184 unq 0 iso 0 dist 7.79858 5.92785 9.96392 8.32647 5.75787 7.81466 numMergedOcc 0
18 mol 184 unq 1 iso 0 dist 7.19946 5.92785 5.65874 8.32647 6.26387 7.81466 numMergedOcc 0
19 mol 196 unq 0 iso 0 dist 6.64996 5.21339 5.82576 8.58805 4.50659 6.98225 numMergedOcc 0
20 mol 250 unq 0 iso 0 dist 9.86436 9.5174 11.4565 9.41222 10.7384 6.40609 numMergedOcc 0
