D0F3TB AUTHOR GENERATED BY OPEN BABEL 2.4.1 HETATM 1 C UNL 1 2.752 2.586 -0.560 1.00 0.00 C HETATM 2 N UNL 1 1.766 1.662 -0.337 1.00 0.00 N HETATM 3 C UNL 1 0.527 1.337 0.338 1.00 0.00 C HETATM 4 C UNL 1 -0.245 2.301 1.211 1.00 0.00 C HETATM 5 C UNL 1 2.900 3.961 -0.261 1.00 0.00 C HETATM 6 C UNL 1 4.187 4.541 -0.511 1.00 0.00 C HETATM 7 C UNL 1 5.205 3.828 -1.137 1.00 0.00 C HETATM 8 C UNL 1 4.852 2.684 -1.803 1.00 0.00 C HETATM 9 C UNL 1 3.879 1.969 -1.146 1.00 0.00 C HETATM 10 N UNL 1 1.947 4.768 0.274 1.00 0.00 N HETATM 11 C UNL 1 2.264 6.074 0.544 1.00 0.00 C HETATM 12 C UNL 1 3.495 6.657 0.344 1.00 0.00 C HETATM 13 C UNL 1 4.480 5.869 -0.198 1.00 0.00 C HETATM 14 C UNL 1 0.048 2.325 2.720 1.00 0.00 C HETATM 15 C UNL 1 1.310 3.030 3.218 1.00 0.00 C HETATM 16 C UNL 1 1.191 4.553 3.303 1.00 0.00 C HETATM 17 N UNL 1 2.500 5.160 3.527 1.00 0.00 N HETATM 18 C UNL 1 2.658 6.358 4.192 1.00 0.00 C HETATM 19 O UNL 1 1.708 6.908 4.803 1.00 0.00 O HETATM 20 C UNL 1 4.021 7.035 4.142 1.00 0.00 C HETATM 21 S UNL 1 5.364 6.078 3.389 1.00 0.00 S HETATM 22 H UNL 1 1.849 0.970 -1.088 1.00 0.00 H HETATM 23 H UNL 1 0.699 0.394 0.876 1.00 0.00 H HETATM 24 H UNL 1 -0.160 1.049 -0.474 1.00 0.00 H HETATM 25 H UNL 1 -1.271 1.891 1.177 1.00 0.00 H HETATM 26 H UNL 1 -0.322 3.294 0.769 1.00 0.00 H HETATM 27 H UNL 1 6.216 4.198 -1.233 1.00 0.00 H HETATM 28 H UNL 1 4.478 2.973 -2.822 1.00 0.00 H HETATM 29 H UNL 1 4.121 0.952 -0.835 1.00 0.00 H HETATM 30 H UNL 1 1.476 6.648 1.028 1.00 0.00 H HETATM 31 H UNL 1 3.691 7.691 0.605 1.00 0.00 H HETATM 32 H UNL 1 5.460 6.294 -0.401 1.00 0.00 H HETATM 33 H UNL 1 0.076 1.289 3.083 1.00 0.00 H HETATM 34 H UNL 1 -0.820 2.784 3.210 1.00 0.00 H HETATM 35 H UNL 1 2.177 2.717 2.629 1.00 0.00 H HETATM 36 H UNL 1 1.492 2.685 4.244 1.00 0.00 H HETATM 37 H UNL 1 0.515 4.850 4.099 1.00 0.00 H HETATM 38 H UNL 1 0.776 4.961 2.387 1.00 0.00 H HETATM 39 H UNL 1 3.244 4.917 2.867 1.00 0.00 H HETATM 40 H UNL 1 4.317 7.291 5.165 1.00 0.00 H HETATM 41 H UNL 1 3.905 7.958 3.565 1.00 0.00 H HETATM 42 H UNL 1 5.519 5.199 4.388 1.00 0.00 H CONECT 1 2 5 9 CONECT 2 1 3 22 CONECT 3 2 4 23 24 CONECT 4 3 14 25 26 CONECT 5 1 6 10 CONECT 6 5 7 13 CONECT 7 6 8 27 CONECT 8 7 9 28 CONECT 9 8 1 29 CONECT 10 5 11 CONECT 11 10 12 30 CONECT 12 11 13 31 CONECT 13 12 6 32 CONECT 14 4 15 33 34 CONECT 15 14 16 35 36 CONECT 16 15 17 37 38 CONECT 17 16 18 39 CONECT 18 17 19 20 CONECT 19 18 CONECT 20 18 21 40 41 CONECT 21 20 42 CONECT 22 2 CONECT 23 3 CONECT 24 3 CONECT 25 4 CONECT 26 4 CONECT 27 7 CONECT 28 8 CONECT 29 9 CONECT 30 11 CONECT 31 12 CONECT 32 13 CONECT 33 14 CONECT 34 14 CONECT 35 15 CONECT 36 15 CONECT 37 16 CONECT 38 16 CONECT 39 17 CONECT 40 20 CONECT 41 20 CONECT 42 21 MASTER 0 0 0 0 0 0 0 0 42 0 42 0 END M END $$$$