0 mol 26 unq 0 iso 0 dist 9.7522 4.21886 9.80897 15.0931 8.34347 12.8257 8.62527 4.52042 8.65828 10.9309 numMergedOcc 0
1 mol 34 unq 0 iso 0 dist 7.10899 5.70643 7.78892 10.8741 9.24927 13.4993 5.68877 4.30086 4.50643 12.4634 numMergedOcc 0
2 mol 43 unq 0 iso 0 dist 8.38387 4.99287 8.03754 11.0096 8.80331 14.0204 11.1748 9.69698 7.67459 15.7652 numMergedOcc 0
3 mol 43 unq 1 iso 0 dist 8.38387 4.99287 8.03754 11.8286 6.20293 13.1056 11.1748 9.69698 7.67459 15.8918 numMergedOcc 0
4 mol 59 unq 0 iso 0 dist 9.00229 12.9552 9.75265 10.1484 8.95999 5.03467 14.9219 8.50779 8.88969 7.98444 numMergedOcc 0
5 mol 64 unq 0 iso 0 dist 8.99491 4.69203 8.75668 4.96726 9.67592 7.26966 7.49861 11.6779 5.45684 11.8671 numMergedOcc 0
6 mol 64 unq 1 iso 0 dist 8.99491 4.69203 8.75668 4.96726 9.67592 7.26966 6.2165 10.1207 7.76644 10.9973 numMergedOcc 0
7 mol 75 unq 0 iso 0 dist 6.95595 4.01868 6.96759 12.7957 7.79912 13.8905 11.3061 9.14798 7.93145 16.1633 numMergedOcc 0
8 mol 75 unq 1 iso 0 dist 6.95595 4.01868 6.96759 10.309 8.56639 12.899 11.3061 9.14798 7.93145 17.6145 numMergedOcc 0
9 mol 75 unq 2 iso 0 dist 6.95595 4.01868 6.96759 5.80162 8.59017 8.41332 11.3061 9.14798 7.93145 15.3522 numMergedOcc 0
10 mol 133 unq 0 iso 0 dist 9.50322 15.9933 9.1146 5.37072 7.11802 11.0256 24.2761 15.3123 9.82274 19.9663 numMergedOcc 0
11 mol 133 unq 1 iso 0 dist 9.50322 15.9933 9.1146 5.37072 7.11802 11.0256 18.7688 10.4303 9.02712 15.5187 numMergedOcc 0
12 mol 133 unq 2 iso 0 dist 5.86531 4.98521 9.47554 6.26797 7.11802 5.34829 10.3551 14.5299 5.92836 10.1767 numMergedOcc 0
13 mol 133 unq 3 iso 0 dist 5.86531 4.98521 9.47554 9.73435 8.00618 9.67676 10.3551 14.5299 5.92836 11.6202 numMergedOcc 0
14 mol 152 unq 0 iso 0 dist 8.07256 4.81561 8.41774 10.4039 8.56324 13.1435 12.9009 9.50073 9.27341 15.3848 numMergedOcc 0
15 mol 152 unq 1 iso 0 dist 8.07256 4.81561 8.41774 11.1874 6.70283 13.793 12.9009 9.50073 9.27341 16.0753 numMergedOcc 0
16 mol 152 unq 2 iso 0 dist 8.07256 4.81561 8.41774 8.36099 7.16148 11.2124 12.9009 9.50073 9.27341 16.0158 numMergedOcc 0
17 mol 238 unq 0 iso 0 dist 9.94315 5.64173 4.80834 12.521 5.72887 7.04671 5.83646 10.1036 7.75366 13.6759 numMergedOcc 0
18 mol 238 unq 1 iso 0 dist 8.59074 4.11566 4.80834 9.18011 5.72887 7.04671 9.69906 10.1036 7.75366 13.6759 numMergedOcc 0
19 mol 238 unq 2 iso 0 dist 6.2365 5.64162 4.80834 4.7157 5.72887 7.04671 13.3899 10.1036 7.75366 13.6759 numMergedOcc 0
20 mol 258 unq 0 iso 0 dist 5.73834 5.66907 9.04358 6.48867 6.60405 8.81588 6.41167 5.13233 8.73425 10.7821 numMergedOcc 0
21 mol 258 unq 1 iso 0 dist 5.73834 5.66907 9.04358 7.52881 6.42289 5.90131 6.41167 5.13233 8.73425 8.21585 numMergedOcc 0
