D0KS3J AUTHOR GENERATED BY OPEN BABEL 2.4.1 HETATM 1 C UNL 1 2.480 -0.949 0.584 1.00 0.00 C HETATM 2 C UNL 1 3.174 -2.138 0.789 1.00 0.00 C HETATM 3 C UNL 1 4.516 -2.208 0.436 1.00 0.00 C HETATM 4 C UNL 1 5.180 -1.111 -0.108 1.00 0.00 C HETATM 5 C UNL 1 4.489 0.077 -0.343 1.00 0.00 C HETATM 6 C UNL 1 3.137 0.147 0.011 1.00 0.00 C HETATM 7 O UNL 1 5.232 -3.358 0.588 1.00 0.00 O HETATM 8 N UNL 1 5.053 1.179 -1.035 1.00 0.00 N HETATM 9 C UNL 1 6.356 1.281 -1.522 1.00 0.00 C HETATM 10 O UNL 1 7.300 0.576 -1.198 1.00 0.00 O HETATM 11 C UNL 1 6.555 2.320 -2.594 1.00 0.00 C HETATM 12 C UNL 1 5.400 2.946 -3.037 1.00 0.00 C HETATM 13 C UNL 1 4.970 2.578 -4.296 1.00 0.00 C HETATM 14 C UNL 1 5.953 2.425 -5.275 1.00 0.00 C HETATM 15 C UNL 1 7.298 2.346 -4.879 1.00 0.00 C HETATM 16 C UNL 1 7.601 2.218 -3.515 1.00 0.00 C HETATM 17 CL UNL 1 9.237 1.943 -3.060 1.00 0.00 Cl HETATM 18 N UNL 1 3.598 2.422 -4.595 1.00 0.00 N HETATM 19 C UNL 1 2.516 2.522 -3.698 1.00 0.00 C HETATM 20 C UNL 1 1.139 2.917 -4.378 1.00 0.00 C HETATM 21 O UNL 1 2.612 2.449 -2.485 1.00 0.00 O HETATM 22 C UNL 1 1.447 3.739 -5.445 1.00 0.00 C HETATM 23 C UNL 1 1.936 4.993 -5.067 1.00 0.00 C HETATM 24 C UNL 1 1.578 5.472 -3.800 1.00 0.00 C HETATM 25 C UNL 1 0.502 4.878 -3.161 1.00 0.00 C HETATM 26 C UNL 1 0.242 3.561 -3.518 1.00 0.00 C HETATM 27 CL UNL 1 -1.422 3.081 -3.504 1.00 0.00 Cl HETATM 28 S UNL 1 2.848 6.162 -2.742 1.00 0.00 S HETATM 29 C UNL 1 2.680 5.333 -1.158 1.00 0.00 C HETATM 30 O UNL 1 4.123 5.782 -3.325 1.00 0.00 O HETATM 31 O UNL 1 2.495 7.545 -2.579 1.00 0.00 O HETATM 32 H UNL 1 1.432 -0.878 0.860 1.00 0.00 H HETATM 33 H UNL 1 2.662 -2.992 1.221 1.00 0.00 H HETATM 34 H UNL 1 6.224 -1.226 -0.374 1.00 0.00 H HETATM 35 H UNL 1 2.558 1.056 -0.168 1.00 0.00 H HETATM 36 H UNL 1 4.619 -4.079 0.797 1.00 0.00 H HETATM 37 H UNL 1 4.364 1.865 -1.330 1.00 0.00 H HETATM 38 H UNL 1 5.594 4.043 -3.032 1.00 0.00 H HETATM 39 H UNL 1 5.704 2.332 -6.327 1.00 0.00 H HETATM 40 H UNL 1 8.084 2.268 -5.627 1.00 0.00 H HETATM 41 H UNL 1 3.394 2.282 -5.575 1.00 0.00 H HETATM 42 H UNL 1 1.709 3.293 -6.398 1.00 0.00 H HETATM 43 H UNL 1 2.697 5.474 -5.672 1.00 0.00 H HETATM 44 H UNL 1 -0.140 5.470 -2.514 1.00 0.00 H HETATM 45 H UNL 1 2.035 4.468 -1.210 1.00 0.00 H HETATM 46 H UNL 1 2.246 6.032 -0.422 1.00 0.00 H HETATM 47 H UNL 1 3.657 4.997 -0.812 1.00 0.00 H CONECT 1 2 6 32 CONECT 2 1 3 33 CONECT 3 2 4 7 CONECT 4 3 5 34 CONECT 5 4 6 8 CONECT 6 5 1 35 CONECT 7 3 36 CONECT 8 5 9 37 CONECT 9 8 10 11 CONECT 10 9 CONECT 11 9 12 16 CONECT 12 11 13 38 CONECT 13 12 14 18 CONECT 14 13 15 39 CONECT 15 14 16 40 CONECT 16 15 11 17 CONECT 17 16 CONECT 18 13 19 41 CONECT 19 18 20 21 CONECT 20 19 22 26 CONECT 21 19 CONECT 22 20 23 42 CONECT 23 22 24 43 CONECT 24 23 25 28 CONECT 25 24 26 44 CONECT 26 25 20 27 CONECT 27 26 CONECT 28 24 29 30 31 CONECT 29 28 45 46 47 CONECT 30 28 CONECT 31 28 CONECT 32 1 CONECT 33 2 CONECT 34 4 CONECT 35 6 CONECT 36 7 CONECT 37 8 CONECT 38 12 CONECT 39 14 CONECT 40 15 CONECT 41 18 CONECT 42 22 CONECT 43 23 CONECT 44 25 CONECT 45 29 CONECT 46 29 CONECT 47 29 MASTER 0 0 0 0 0 0 0 0 47 0 47 0 END M END $$$$