0 mol 43 unq 0 iso 0 dist 8.06275 5.5249 8.80331 8.60781 9.83618 10.4442 9.72346 9.86609 7.39848 16.4643 numMergedOcc 0
1 mol 43 unq 1 iso 0 dist 8.90024 13.9129 8.80331 12.664 9.83618 10.4442 15.8838 9.86609 7.39848 16.4643 numMergedOcc 0
2 mol 72 unq 0 iso 0 dist 5.48831 13.0773 9.96708 5.94737 7.321 9.0131 14.1978 10.7434 4.86198 10.3769 numMergedOcc 0
3 mol 72 unq 1 iso 0 dist 5.48831 10.5933 9.78528 5.94737 7.321 6.11922 14.1978 10.7434 6.62699 10.3769 numMergedOcc 0
4 mol 85 unq 0 iso 0 dist 9.9795 13.0232 6.19965 5.84688 9.47876 11.6116 15.1781 8.18948 8.04242 16.5125 numMergedOcc 0
5 mol 102 unq 0 iso 0 dist 8.84131 8.90571 7.36792 6.87786 9.94856 5.498 9.00369 3.48119 5.54256 7.68537 numMergedOcc 0
6 mol 142 unq 0 iso 0 dist 8.86346 16.7609 9.2313 9.01957 7.15475 9.49653 10.3674 4.05822 8.04118 5.69323 numMergedOcc 0
7 mol 142 unq 1 iso 0 dist 8.86346 13.5268 7.73169 9.01957 7.15475 7.53854 10.3674 4.05822 8.39035 5.69323 numMergedOcc 0
8 mol 142 unq 2 iso 0 dist 4.93681 12.8283 9.2313 6.17441 7.15475 9.49653 6.4119 4.05822 8.04118 5.69323 numMergedOcc 0
9 mol 142 unq 3 iso 0 dist 4.93681 10.1677 7.73169 6.17441 7.15475 7.53854 6.4119 4.05822 8.39035 5.69323 numMergedOcc 0
10 mol 152 unq 0 iso 0 dist 8.34839 5.65129 8.56324 4.99991 9.13561 5.99333 10.561 9.73449 7.55934 12.999 numMergedOcc 0
11 mol 235 unq 0 iso 0 dist 6.45574 6.70342 5.4638 5.61388 8.21247 4.65302 8.28824 4.75609 8.08965 9.11149 numMergedOcc 0
12 mol 235 unq 1 iso 0 dist 8.14407 6.01036 5.4638 6.59128 8.21247 4.65302 11.7046 4.75609 8.08965 9.11149 numMergedOcc 0
13 mol 248 unq 0 iso 0 dist 7.40475 7.63032 7.69895 10.2858 6.07192 6.48757 5.76741 6.19721 7.79063 10.7209 numMergedOcc 0
14 mol 248 unq 1 iso 0 dist 7.40475 6.42334 7.21521 10.2858 6.07192 5.51827 5.76741 6.19721 9.64778 10.7209 numMergedOcc 0
15 mol 261 unq 0 iso 0 dist 9.80409 6.39263 8.45658 9.66751 7.47164 5.22253 8.55479 11.4108 8.24356 12.8776 numMergedOcc 0
16 mol 265 unq 0 iso 0 dist 8.49415 4.05162 8.4218 9.3596 6.34034 6.43013 5.44039 7.71667 5.7944 8.03604 numMergedOcc 0
17 mol 277 unq 0 iso 0 dist 7.23956 15.6875 9.7748 12.9898 9.41725 6.58374 13.087 7.75371 5.69112 9.62597 numMergedOcc 0
18 mol 277 unq 1 iso 0 dist 7.23956 15.6875 9.7748 12.9898 9.41725 6.58374 15.8468 11.3546 7.2091 11.5874 numMergedOcc 0
