D0J5NB AUTHOR GENERATED BY OPEN BABEL 2.4.1 HETATM 1 C UNL 1 1.333 1.388 0.480 1.00 0.00 C HETATM 2 N UNL 1 0.514 2.275 1.509 1.00 0.00 N HETATM 3 N UNL 1 1.346 2.195 2.570 1.00 0.00 N HETATM 4 C UNL 1 1.746 0.899 2.504 1.00 0.00 C HETATM 5 C UNL 1 1.155 0.266 1.298 1.00 0.00 C HETATM 6 C UNL 1 -0.969 2.184 2.139 1.00 0.00 C HETATM 7 C UNL 1 -1.370 3.419 2.700 1.00 0.00 C HETATM 8 C UNL 1 -1.753 3.547 4.077 1.00 0.00 C HETATM 9 C UNL 1 -1.688 2.471 4.953 1.00 0.00 C HETATM 10 C UNL 1 -1.447 1.219 4.428 1.00 0.00 C HETATM 11 C UNL 1 -1.284 1.081 3.020 1.00 0.00 C HETATM 12 CL UNL 1 -2.534 -0.089 2.502 1.00 0.00 Cl HETATM 13 C UNL 1 0.036 -0.634 0.870 1.00 0.00 C HETATM 14 CL UNL 1 -2.015 2.663 6.632 1.00 0.00 Cl HETATM 15 C UNL 1 2.680 1.248 -0.359 1.00 0.00 C HETATM 16 C UNL 1 2.981 -0.005 -0.927 1.00 0.00 C HETATM 17 C UNL 1 4.291 -0.220 -1.498 1.00 0.00 C HETATM 18 C UNL 1 5.108 0.892 -1.535 1.00 0.00 C HETATM 19 S UNL 1 4.139 2.214 -0.664 1.00 0.00 S HETATM 20 C UNL 1 3.182 0.782 2.998 1.00 0.00 C HETATM 21 O UNL 1 4.077 -0.190 2.661 1.00 0.00 O HETATM 22 N UNL 1 5.359 0.352 2.892 1.00 0.00 N HETATM 23 C UNL 1 5.119 1.613 3.322 1.00 0.00 C HETATM 24 N UNL 1 3.777 1.838 3.545 1.00 0.00 N HETATM 25 C UNL 1 6.113 2.671 3.374 1.00 0.00 C HETATM 26 C UNL 1 6.915 2.678 4.659 1.00 0.00 C HETATM 27 C UNL 1 6.532 0.897 -2.183 1.00 0.00 C HETATM 28 C UNL 1 7.713 1.173 -2.663 1.00 0.00 C HETATM 29 C UNL 1 9.089 1.495 -3.222 1.00 0.00 C HETATM 30 C UNL 1 10.517 1.068 -3.439 1.00 0.00 C HETATM 31 C UNL 1 10.804 0.724 -4.934 1.00 0.00 C HETATM 32 C UNL 1 9.483 0.493 -5.659 1.00 0.00 C HETATM 33 C UNL 1 8.485 0.782 -4.608 1.00 0.00 C HETATM 34 H UNL 1 -1.348 4.325 2.109 1.00 0.00 H HETATM 35 H UNL 1 -2.048 4.517 4.468 1.00 0.00 H HETATM 36 H UNL 1 -1.606 0.325 5.041 1.00 0.00 H HETATM 37 H UNL 1 -0.881 -0.046 0.695 1.00 0.00 H HETATM 38 H UNL 1 -0.163 -1.478 1.517 1.00 0.00 H HETATM 39 H UNL 1 0.207 -0.993 -0.151 1.00 0.00 H HETATM 40 H UNL 1 2.281 -0.829 -0.874 1.00 0.00 H HETATM 41 H UNL 1 4.604 -1.183 -1.882 1.00 0.00 H HETATM 42 H UNL 1 5.623 3.652 3.259 1.00 0.00 H HETATM 43 H UNL 1 6.792 2.574 2.518 1.00 0.00 H HETATM 44 H UNL 1 6.280 2.953 5.510 1.00 0.00 H HETATM 45 H UNL 1 7.733 3.408 4.601 1.00 0.00 H HETATM 46 H UNL 1 7.352 1.695 4.869 1.00 0.00 H HETATM 47 H UNL 1 9.055 2.580 -3.401 1.00 0.00 H HETATM 48 H UNL 1 10.918 0.330 -2.749 1.00 0.00 H HETATM 49 H UNL 1 11.126 1.975 -3.284 1.00 0.00 H HETATM 50 H UNL 1 11.432 -0.166 -5.025 1.00 0.00 H HETATM 51 H UNL 1 11.328 1.537 -5.456 1.00 0.00 H HETATM 52 H UNL 1 9.354 1.161 -6.521 1.00 0.00 H HETATM 53 H UNL 1 9.408 -0.519 -6.025 1.00 0.00 H HETATM 54 H UNL 1 8.071 -0.215 -4.357 1.00 0.00 H HETATM 55 H UNL 1 7.648 1.363 -5.027 1.00 0.00 H CONECT 1 2 5 15 CONECT 2 1 3 6 CONECT 3 2 4 CONECT 4 3 5 20 CONECT 5 4 1 13 CONECT 6 2 7 11 CONECT 7 6 8 34 CONECT 8 7 9 35 CONECT 9 8 10 14 CONECT 10 9 11 36 CONECT 11 10 6 12 CONECT 12 11 CONECT 13 5 37 38 39 CONECT 14 9 CONECT 15 1 16 19 CONECT 16 15 17 40 CONECT 17 16 18 41 CONECT 18 17 19 27 CONECT 19 18 15 CONECT 20 4 21 24 CONECT 21 20 22 CONECT 22 21 23 CONECT 23 22 24 25 CONECT 24 23 20 CONECT 25 23 26 42 43 CONECT 26 25 44 45 46 CONECT 27 18 28 CONECT 28 27 29 CONECT 29 28 30 33 47 CONECT 30 29 31 48 49 CONECT 31 30 32 50 51 CONECT 32 31 33 52 53 CONECT 33 32 29 54 55 CONECT 34 7 CONECT 35 8 CONECT 36 10 CONECT 37 13 CONECT 38 13 CONECT 39 13 CONECT 40 16 CONECT 41 17 CONECT 42 25 CONECT 43 25 CONECT 44 26 CONECT 45 26 CONECT 46 26 CONECT 47 29 CONECT 48 30 CONECT 49 30 CONECT 50 31 CONECT 51 31 CONECT 52 32 CONECT 53 32 CONECT 54 33 CONECT 55 33 MASTER 0 0 0 0 0 0 0 0 55 0 55 0 END M END $$$$