D0DK4I AUTHOR GENERATED BY OPEN BABEL 2.4.1 HETATM 1 C UNL 1 1.807 0.204 0.121 1.00 0.00 C HETATM 2 C UNL 1 1.136 1.598 -0.221 1.00 0.00 C HETATM 3 C UNL 1 1.276 2.298 -1.691 1.00 0.00 C HETATM 4 C UNL 1 0.652 3.839 -1.974 1.00 0.00 C HETATM 5 C UNL 1 1.032 4.668 -0.787 1.00 0.00 C HETATM 6 C UNL 1 3.293 -0.041 0.244 1.00 0.00 C HETATM 7 C UNL 1 4.257 0.965 0.353 1.00 0.00 C HETATM 8 C UNL 1 5.589 0.680 0.070 1.00 0.00 C HETATM 9 C UNL 1 5.914 -0.619 -0.264 1.00 0.00 C HETATM 10 C UNL 1 5.083 -1.648 0.137 1.00 0.00 C HETATM 11 C UNL 1 3.741 -1.376 0.308 1.00 0.00 C HETATM 12 C UNL 1 0.643 9.791 -3.393 1.00 0.00 C HETATM 13 C UNL 1 0.741 8.510 -2.741 1.00 0.00 C HETATM 14 C UNL 1 0.992 7.469 -1.225 1.00 0.00 C HETATM 15 C UNL 1 1.197 6.167 0.107 1.00 0.00 C HETATM 16 C UNL 1 1.183 4.610 0.424 1.00 0.00 C HETATM 17 O UNL 1 0.372 7.467 -3.702 1.00 0.00 O HETATM 18 O UNL 1 1.457 8.650 -0.288 1.00 0.00 O HETATM 19 O UNL 1 5.573 -2.886 0.419 1.00 0.00 O HETATM 20 O UNL 1 6.536 -0.760 -1.497 1.00 0.00 O HETATM 21 C UNL 1 -0.356 1.372 0.096 1.00 0.00 C HETATM 22 C UNL 1 2.741 2.324 -2.125 1.00 0.00 C HETATM 23 H UNL 1 1.411 -0.535 -0.586 1.00 0.00 H HETATM 24 H UNL 1 1.437 -0.092 1.117 1.00 0.00 H HETATM 25 H UNL 1 1.561 2.258 0.532 1.00 0.00 H HETATM 26 H UNL 1 0.745 1.639 -2.391 1.00 0.00 H HETATM 27 H UNL 1 -0.440 3.741 -1.987 1.00 0.00 H HETATM 28 H UNL 1 1.007 4.239 -2.923 1.00 0.00 H HETATM 29 H UNL 1 3.978 1.994 0.545 1.00 0.00 H HETATM 30 H UNL 1 6.331 1.465 -0.026 1.00 0.00 H HETATM 31 H UNL 1 3.050 -2.198 0.478 1.00 0.00 H HETATM 32 H UNL 1 0.574 10.709 -3.860 1.00 0.00 H HETATM 33 H UNL 1 1.363 6.743 1.039 1.00 0.00 H HETATM 34 H UNL 1 1.220 4.109 1.348 1.00 0.00 H HETATM 35 H UNL 1 -0.183 7.891 -4.381 1.00 0.00 H HETATM 36 H UNL 1 1.856 9.289 -0.907 1.00 0.00 H HETATM 37 H UNL 1 6.479 -2.735 0.752 1.00 0.00 H HETATM 38 H UNL 1 5.867 -0.396 -2.128 1.00 0.00 H HETATM 39 H UNL 1 -0.789 0.663 -0.620 1.00 0.00 H HETATM 40 H UNL 1 -0.933 2.296 0.072 1.00 0.00 H HETATM 41 H UNL 1 -0.487 0.931 1.094 1.00 0.00 H HETATM 42 H UNL 1 3.347 2.907 -1.427 1.00 0.00 H HETATM 43 H UNL 1 2.845 2.780 -3.113 1.00 0.00 H HETATM 44 H UNL 1 3.146 1.312 -2.200 1.00 0.00 H CONECT 1 2 6 23 24 CONECT 2 1 3 21 25 CONECT 3 2 4 22 26 CONECT 4 3 5 27 28 CONECT 5 4 12 16 CONECT 6 1 7 11 CONECT 7 6 8 29 CONECT 8 7 9 30 CONECT 9 8 10 20 CONECT 10 9 11 19 CONECT 11 10 6 31 CONECT 12 5 13 32 CONECT 13 12 14 17 CONECT 14 13 15 18 CONECT 15 14 16 33 CONECT 16 15 5 34 CONECT 17 13 35 CONECT 18 14 36 CONECT 19 10 37 CONECT 20 9 38 CONECT 21 2 39 40 41 CONECT 22 3 42 43 44 CONECT 23 1 CONECT 24 1 CONECT 25 2 CONECT 26 3 CONECT 27 4 CONECT 28 4 CONECT 29 7 CONECT 30 8 CONECT 31 11 CONECT 32 12 CONECT 33 15 CONECT 34 16 CONECT 35 17 CONECT 36 18 CONECT 37 19 CONECT 38 20 CONECT 39 21 CONECT 40 21 CONECT 41 21 CONECT 42 22 CONECT 43 22 CONECT 44 22 MASTER 0 0 0 0 0 0 0 0 44 0 44 0 END M END $$$$