0 mol 10 unq 0 iso 0 dist 7.99404 8.44864 8.76488 3.5691 6.68744 9.85732 numMergedOcc 0
1 mol 44 unq 0 iso 0 dist 6.21423 9.45566 6.30672 6.54853 7.49423 13.031 numMergedOcc 0
2 mol 46 unq 0 iso 0 dist 8.55031 9.50444 9.9271 6.54685 5.2568 12.4971 numMergedOcc 0
3 mol 83 unq 0 iso 0 dist 8.48766 9.97781 5.18016 12.2267 7.88522 13.0007 numMergedOcc 0
4 mol 83 unq 1 iso 0 dist 7.80113 5.91009 8.5555 3.71967 9.82018 9.51787 numMergedOcc 0
5 mol 92 unq 0 iso 0 dist 5.74364 9.18898 9.52463 6.29901 7.80279 14.8897 numMergedOcc 0
6 mol 92 unq 1 iso 0 dist 5.74364 7.67331 6.07224 6.29901 7.80279 11.07 numMergedOcc 0
7 mol 133 unq 0 iso 0 dist 8.63817 6.42904 9.67141 5.56456 9.88156 11.4123 numMergedOcc 0
8 mol 141 unq 0 iso 0 dist 6.32669 7.6793 4.8653 7.06015 7.53168 6.90583 numMergedOcc 0
9 mol 141 unq 1 iso 0 dist 6.32669 7.6793 4.8653 6 5.18805 6.75593 numMergedOcc 0
10 mol 141 unq 2 iso 0 dist 6.32669 7.6793 4.8653 8.90391 7.11158 8.83562 numMergedOcc 0
11 mol 181 unq 0 iso 0 dist 6.13872 5.66363 9.21613 3.55808 6.19329 9.20617 numMergedOcc 0
12 mol 197 unq 0 iso 0 dist 7.56537 8.98598 4.91904 8.82321 7.06868 11.7004 numMergedOcc 0
13 mol 197 unq 1 iso 0 dist 7.56537 7.06689 7.59634 8.82321 7.06868 13.216 numMergedOcc 0
14 mol 197 unq 2 iso 0 dist 7.56537 9.69601 10.3181 8.82321 7.06868 12.6843 numMergedOcc 0
15 mol 205 unq 0 iso 0 dist 6.09754 5.86419 5.42117 3.83801 5.32465 7.75318 numMergedOcc 0
16 mol 257 unq 0 iso 0 dist 8.9297 8.4302 11.0338 3.67805 9.93591 10.6444 numMergedOcc 0
17 mol 258 unq 0 iso 0 dist 9.4886 8.63176 8.01004 10.3385 9.30975 9.36974 numMergedOcc 0
