0 mol 26 unq 0 iso 0 dist 8.62527 9.7522 4.52042 3.30063 8.36742 7.98005 15.0931 10.9309 8.34347 12.5438 numMergedOcc 0
1 mol 26 unq 1 iso 0 dist 8.62527 9.7522 4.52042 8.44515 8.10028 8.31381 15.0931 10.9309 8.34347 8.39015 numMergedOcc 0
2 mol 34 unq 0 iso 0 dist 5.68877 7.10899 4.30086 5.22301 9.36493 11.3695 10.8741 12.4634 9.24927 15.0555 numMergedOcc 0
3 mol 34 unq 1 iso 0 dist 5.68877 7.10899 4.30086 9.36704 9.0665 13.0621 10.8741 12.4634 9.24927 19.9732 numMergedOcc 0
4 mol 34 unq 2 iso 0 dist 5.68877 7.10899 4.30086 12.1168 7.07773 9.99939 10.8741 12.4634 9.24927 19.1023 numMergedOcc 0
5 mol 38 unq 0 iso 0 dist 7.88321 5.73067 6.31521 3.47751 9.1568 8.83233 5.79134 12.2513 7.50293 7.63536 numMergedOcc 0
6 mol 38 unq 1 iso 0 dist 7.88321 5.73067 6.31521 3.47751 9.1568 8.83233 5.48241 11.6716 9.91611 4.04384 numMergedOcc 0
7 mol 54 unq 0 iso 0 dist 8.34361 5.97635 5.65405 2.97898 9.63616 8.31068 10.7219 14.4402 9.5589 11.6538 numMergedOcc 0
8 mol 54 unq 1 iso 0 dist 8.34361 5.97635 5.65405 2.97898 9.63616 8.31068 6.76462 10.5929 6.83299 7.15034 numMergedOcc 0
9 mol 54 unq 2 iso 0 dist 8.34361 5.97635 5.65405 2.97898 9.63616 8.31068 13.2619 6.54183 8.10861 15.3154 numMergedOcc 0
10 mol 64 unq 0 iso 0 dist 7.49861 8.99491 11.6779 4.24381 9.05343 13.143 4.96726 11.8671 9.67592 7.05257 numMergedOcc 0
11 mol 64 unq 1 iso 0 dist 6.2165 8.99491 10.1207 4.24381 7.71528 13.143 4.96726 10.9973 9.67592 7.05257 numMergedOcc 0
12 mol 98 unq 0 iso 0 dist 8.18252 4.50572 11.8887 3.8493 5.85622 7.92856 6.88489 12.9146 5.08437 8.29813 numMergedOcc 0
13 mol 98 unq 1 iso 0 dist 8.18252 4.50572 11.8887 3.8493 5.85622 7.92856 9.63267 17.6559 6.48948 13.2057 numMergedOcc 0
14 mol 98 unq 2 iso 0 dist 8.18252 4.50572 11.8887 3.8493 5.85622 7.92856 9.82583 14.9393 6.10456 12.7473 numMergedOcc 0
15 mol 131 unq 0 iso 0 dist 7.46875 7.81337 5.29825 3.97269 8.44004 8.80895 11.4498 12.0117 6.85062 11.6692 numMergedOcc 0
16 mol 181 unq 0 iso 0 dist 9.14877 9.84952 7.07865 8.75517 8.07518 8.86172 4.3158 9.79901 7.81386 10.561 numMergedOcc 0
17 mol 181 unq 1 iso 0 dist 9.14877 9.84952 7.07865 8.75517 8.07518 8.86172 12.9554 13.7928 7.63312 15.3241 numMergedOcc 0
18 mol 181 unq 2 iso 0 dist 9.14877 9.84952 7.07865 3.59953 7.39733 8.29467 4.3158 9.79901 7.81386 6.13927 numMergedOcc 0
19 mol 181 unq 3 iso 0 dist 9.14877 9.84952 7.07865 3.59953 7.39733 8.29467 12.9554 13.7928 7.63312 13.2274 numMergedOcc 0
20 mol 181 unq 4 iso 0 dist 8.18021 9.84952 13.9526 3.59953 8.74268 8.29467 4.3158 11.2136 7.81386 6.13927 numMergedOcc 0
21 mol 181 unq 5 iso 0 dist 8.18021 9.84952 13.9526 3.59953 8.74268 8.29467 12.9554 18.7611 7.63312 13.2274 numMergedOcc 0
22 mol 232 unq 0 iso 0 dist 8.21479 9.29752 6.1648 9.5606 4.76819 10.879 9.60401 12.5644 8.27212 16.2366 numMergedOcc 0
23 mol 241 unq 0 iso 0 dist 7.30582 8.40773 9.64766 8.48642 9.87415 10.0267 6.72492 10.4415 7.4631 4.07839 numMergedOcc 0
