D0JD5W AUTHOR GENERATED BY OPEN BABEL 2.4.1 HETATM 1 C UNL 1 1.336 -0.426 -3.515 1.00 0.00 C HETATM 2 C UNL 1 0.889 0.350 -2.281 1.00 0.00 C HETATM 3 N UNL 1 -0.226 -0.053 -1.518 1.00 0.00 N HETATM 4 C UNL 1 1.357 -1.966 -3.566 1.00 0.00 C HETATM 5 N UNL 1 0.768 -2.536 -4.663 1.00 0.00 N HETATM 6 C UNL 1 0.964 -3.858 -4.889 1.00 0.00 C HETATM 7 C UNL 1 1.639 -4.690 -4.016 1.00 0.00 C HETATM 8 C UNL 1 2.101 -4.151 -2.827 1.00 0.00 C HETATM 9 C UNL 1 2.007 -2.776 -2.637 1.00 0.00 C HETATM 10 I UNL 1 2.080 -6.634 -4.553 1.00 0.00 I HETATM 11 F UNL 1 2.610 -2.234 -1.577 1.00 0.00 F HETATM 12 C UNL 1 2.493 0.270 -4.265 1.00 0.00 C HETATM 13 C UNL 1 1.149 0.226 -4.899 1.00 0.00 C HETATM 14 O UNL 1 1.510 1.364 -1.972 1.00 0.00 O HETATM 15 C UNL 1 -0.229 0.455 -0.117 1.00 0.00 C HETATM 16 C UNL 1 -0.779 -0.645 0.744 1.00 0.00 C HETATM 17 C UNL 1 -1.708 -1.356 -0.270 1.00 0.00 C HETATM 18 C UNL 1 -1.029 -1.271 -1.670 1.00 0.00 C HETATM 19 S UNL 1 0.494 -1.651 1.493 1.00 0.00 S HETATM 20 C UNL 1 -2.135 -1.613 -2.808 1.00 0.00 C HETATM 21 O UNL 1 -3.139 -2.249 -2.443 1.00 0.00 O HETATM 22 N UNL 1 -1.946 -1.438 -4.184 1.00 0.00 N HETATM 23 C UNL 1 -2.815 -2.235 -5.117 1.00 0.00 C HETATM 24 C UNL 1 -2.676 -3.702 -4.973 1.00 0.00 C HETATM 25 N UNL 1 -2.514 -4.835 -4.941 1.00 0.00 N HETATM 26 C UNL 1 -3.284 -1.921 -6.551 1.00 0.00 C HETATM 27 C UNL 1 -4.142 -1.544 -5.408 1.00 0.00 C HETATM 28 C UNL 1 1.153 -0.869 2.996 1.00 0.00 C HETATM 29 O UNL 1 -0.136 -2.875 1.957 1.00 0.00 O HETATM 30 O UNL 1 1.605 -1.753 0.577 1.00 0.00 O HETATM 31 C UNL 1 0.666 -1.311 4.232 1.00 0.00 C HETATM 32 C UNL 1 1.533 -1.406 5.333 1.00 0.00 C HETATM 33 C UNL 1 2.887 -1.109 5.177 1.00 0.00 C HETATM 34 C UNL 1 3.310 -0.447 4.026 1.00 0.00 C HETATM 35 C UNL 1 2.438 -0.330 2.938 1.00 0.00 C HETATM 36 F UNL 1 2.900 0.259 1.826 1.00 0.00 F HETATM 37 H UNL 1 0.574 -4.212 -5.840 1.00 0.00 H HETATM 38 H UNL 1 2.591 -4.761 -2.073 1.00 0.00 H HETATM 39 H UNL 1 3.300 -0.372 -4.614 1.00 0.00 H HETATM 40 H UNL 1 2.837 1.248 -3.950 1.00 0.00 H HETATM 41 H UNL 1 1.072 -0.396 -5.787 1.00 0.00 H HETATM 42 H UNL 1 0.561 1.135 -4.964 1.00 0.00 H HETATM 43 H UNL 1 -0.904 1.318 -0.087 1.00 0.00 H HETATM 44 H UNL 1 0.762 0.791 0.210 1.00 0.00 H HETATM 45 H UNL 1 -1.371 -0.288 1.597 1.00 0.00 H HETATM 46 H UNL 1 -2.638 -0.771 -0.312 1.00 0.00 H HETATM 47 H UNL 1 -1.977 -2.380 -0.005 1.00 0.00 H HETATM 48 H UNL 1 -0.329 -2.109 -1.709 1.00 0.00 H HETATM 49 H UNL 1 -1.075 -1.094 -4.566 1.00 0.00 H HETATM 50 H UNL 1 -3.723 -2.712 -7.173 1.00 0.00 H HETATM 51 H UNL 1 -2.849 -1.142 -7.164 1.00 0.00 H HETATM 52 H UNL 1 -5.058 -2.080 -5.200 1.00 0.00 H HETATM 53 H UNL 1 -4.231 -0.468 -5.260 1.00 0.00 H HETATM 54 H UNL 1 -0.337 -1.717 4.333 1.00 0.00 H HETATM 55 H UNL 1 1.182 -1.807 6.281 1.00 0.00 H HETATM 56 H UNL 1 3.605 -1.419 5.927 1.00 0.00 H HETATM 57 H UNL 1 4.335 -0.098 3.946 1.00 0.00 H CONECT 1 2 4 12 13 CONECT 2 1 3 14 CONECT 3 2 15 18 CONECT 4 1 5 9 CONECT 5 4 6 CONECT 6 5 7 37 CONECT 7 6 8 10 CONECT 8 7 9 38 CONECT 9 8 4 11 CONECT 10 7 CONECT 11 9 CONECT 12 1 13 39 40 CONECT 13 12 1 41 42 CONECT 14 2 CONECT 15 3 16 43 44 CONECT 16 15 17 19 45 CONECT 17 16 18 46 47 CONECT 18 17 3 20 48 CONECT 19 28 29 30 16 CONECT 20 18 21 22 CONECT 21 20 CONECT 22 20 23 49 CONECT 23 22 24 26 27 CONECT 24 23 25 CONECT 25 24 CONECT 26 23 27 50 51 CONECT 27 26 23 52 53 CONECT 28 19 31 35 CONECT 29 19 CONECT 30 19 CONECT 31 28 32 54 CONECT 32 31 33 55 CONECT 33 32 34 56 CONECT 34 33 35 57 CONECT 35 34 28 36 CONECT 36 35 CONECT 37 6 CONECT 38 8 CONECT 39 12 CONECT 40 12 CONECT 41 13 CONECT 42 13 CONECT 43 15 CONECT 44 15 CONECT 45 16 CONECT 46 17 CONECT 47 17 CONECT 48 18 CONECT 49 22 CONECT 50 26 CONECT 51 26 CONECT 52 27 CONECT 53 27 CONECT 54 31 CONECT 55 32 CONECT 56 33 CONECT 57 34 MASTER 0 0 0 0 0 0 0 0 57 0 57 0 END M END $$$$