0 mol 26 unq 0 iso 0 dist 8.54885 7.37634 14.5663 6.21692 12.4915 7.26165 15.2261 21.39 13.7643 9.32718 numMergedOcc 0
1 mol 30 unq 0 iso 0 dist 7.15015 8.15347 9.57664 5.06613 10.6133 5.80534 11.018 12.7245 8.7139 8.51496 numMergedOcc 0
2 mol 30 unq 1 iso 0 dist 3.68549 8.15347 6.61952 5.06613 5.5814 5.80534 11.018 8.32637 8.7139 8.51496 numMergedOcc 0
3 mol 62 unq 0 iso 0 dist 8.27156 8.32519 5.9487 8.33049 8.1599 6.35779 9.51503 10.0059 4.32751 8.67162 numMergedOcc 0
4 mol 62 unq 1 iso 0 dist 8.27156 8.32519 5.9487 8.33049 8.1599 6.35779 12.3972 10.4611 4.83294 8.79114 numMergedOcc 0
5 mol 69 unq 0 iso 0 dist 8.27307 5.38363 8.67853 5.10938 5.47319 5.75135 12.6671 5.83934 10.4849 8.91502 numMergedOcc 0
6 mol 69 unq 1 iso 0 dist 6.92837 5.38363 10.8149 5.10938 9.8809 5.75135 12.6671 14.3583 10.4849 8.91502 numMergedOcc 0
7 mol 70 unq 0 iso 0 dist 8.30653 9.87737 5.78087 6.11801 10.7471 9.79317 5.76805 10.8634 10.0384 8.60535 numMergedOcc 0
8 mol 70 unq 1 iso 0 dist 8.30653 6.7303 6.10128 6.11801 10.7471 7.69436 5.76805 10.8634 6.36433 8.60535 numMergedOcc 0
9 mol 70 unq 2 iso 0 dist 8.63742 7.34645 3.80229 3.99657 10.1951 7.69436 5.40928 4.98521 6.36433 8.60535 numMergedOcc 0
10 mol 70 unq 3 iso 0 dist 6.91739 9.87737 6.64078 6.11801 10.1951 9.79317 5.76805 4.98521 10.0384 8.60535 numMergedOcc 0
11 mol 70 unq 4 iso 0 dist 6.91739 6.7303 3.80229 6.11801 10.1951 7.69436 5.76805 4.98521 6.36433 8.60535 numMergedOcc 0
12 mol 92 unq 0 iso 0 dist 9.96446 4.96173 11.3522 5.27016 8.4545 7.29864 6.15011 8.70803 3.79182 5.62309 numMergedOcc 0
13 mol 92 unq 1 iso 0 dist 9.96446 4.96173 11.3522 5.27016 8.4545 7.29864 11.0503 9.52327 9.74373 7.11438 numMergedOcc 0
14 mol 92 unq 2 iso 0 dist 9.96446 4.96173 11.3522 8.99211 17.3351 6.04223 10.6257 16.7185 6.882 5.59552 numMergedOcc 0
15 mol 92 unq 3 iso 0 dist 6.70686 4.96173 10.0591 5.27016 7.01176 7.29864 6.15011 8.87994 3.79182 5.62309 numMergedOcc 0
16 mol 92 unq 4 iso 0 dist 6.70686 4.96173 10.0591 5.27016 7.01176 7.29864 11.0503 11.641 9.74373 7.11438 numMergedOcc 0
17 mol 92 unq 5 iso 0 dist 6.70686 4.96173 10.0591 8.99211 15.3509 6.04223 10.6257 15.4897 6.882 5.59552 numMergedOcc 0
18 mol 113 unq 0 iso 0 dist 7.2443 6.36631 6.54263 8.77924 13.2795 7.96893 10.8474 8.86193 6.29259 9.66068 numMergedOcc 0
19 mol 113 unq 1 iso 0 dist 7.2443 6.36631 6.54263 8.77924 13.2795 7.96893 10.7006 10.7789 8.17309 8.03783 numMergedOcc 0
20 mol 116 unq 0 iso 0 dist 9.18398 9.86241 5.99377 5.08735 10.531 8.24233 10.5444 9.73409 4.13755 7.6005 numMergedOcc 0
21 mol 128 unq 0 iso 0 dist 8.3127 4.26814 4.48309 9.33619 10.903 8.46801 14.5932 11.0417 12.2606 9.49761 numMergedOcc 0
22 mol 128 unq 1 iso 0 dist 8.3127 4.26814 4.48309 9.33619 10.903 8.46801 9.59568 7.20665 6.30769 6.03154 numMergedOcc 0
23 mol 169 unq 0 iso 0 dist 6.28961 7.07933 5.38859 14.3008 11.0485 7.33643 9.71763 8.6888 3.83687 5.51388 numMergedOcc 0
