D0B6DN AUTHOR GENERATED BY OPEN BABEL 2.4.1 HETATM 1 C UNL 1 2.723 0.384 1.391 1.00 0.00 C HETATM 2 C UNL 1 3.150 0.688 2.685 1.00 0.00 C HETATM 3 C UNL 1 2.318 -0.075 3.517 1.00 0.00 C HETATM 4 N UNL 1 1.264 -0.560 2.858 1.00 0.00 N HETATM 5 N UNL 1 1.430 -0.066 1.606 1.00 0.00 N HETATM 6 C UNL 1 0.237 0.132 0.814 1.00 0.00 C HETATM 7 C UNL 1 4.865 -1.414 -0.602 1.00 0.00 C HETATM 8 C UNL 1 4.361 1.378 3.001 1.00 0.00 C HETATM 9 C UNL 1 5.453 1.881 3.043 1.00 0.00 C HETATM 10 C UNL 1 6.826 2.247 2.877 1.00 0.00 C HETATM 11 C UNL 1 7.249 2.820 1.670 1.00 0.00 C HETATM 12 C UNL 1 8.612 2.901 1.375 1.00 0.00 C HETATM 13 C UNL 1 9.552 2.419 2.307 1.00 0.00 C HETATM 14 C UNL 1 9.120 1.925 3.552 1.00 0.00 C HETATM 15 C UNL 1 7.757 1.844 3.825 1.00 0.00 C HETATM 16 S UNL 1 11.240 2.235 1.848 1.00 0.00 S HETATM 17 N UNL 1 11.926 3.695 2.280 1.00 0.00 N HETATM 18 O UNL 1 11.856 1.250 2.712 1.00 0.00 O HETATM 19 O UNL 1 11.330 2.139 0.407 1.00 0.00 O HETATM 20 C UNL 1 5.676 -2.532 -0.480 1.00 0.00 C HETATM 21 C UNL 1 5.039 -3.753 -0.634 1.00 0.00 C HETATM 22 C UNL 1 3.712 -3.818 -1.093 1.00 0.00 C HETATM 23 C UNL 1 3.028 -2.663 -1.495 1.00 0.00 C HETATM 24 C UNL 1 3.614 -1.445 -1.220 1.00 0.00 C HETATM 25 C UNL 1 2.950 -0.110 -1.061 1.00 0.00 C HETATM 26 N UNL 1 3.479 0.360 0.239 1.00 0.00 N HETATM 27 C UNL 1 4.801 -0.352 0.465 1.00 0.00 C HETATM 28 CL UNL 1 5.821 -5.176 -0.062 1.00 0.00 Cl HETATM 29 H UNL 1 2.444 -0.319 4.562 1.00 0.00 H HETATM 30 H UNL 1 -0.604 0.304 1.497 1.00 0.00 H HETATM 31 H UNL 1 0.047 -0.763 0.221 1.00 0.00 H HETATM 32 H UNL 1 0.355 1.018 0.187 1.00 0.00 H HETATM 33 H UNL 1 6.523 3.134 0.921 1.00 0.00 H HETATM 34 H UNL 1 8.940 3.278 0.412 1.00 0.00 H HETATM 35 H UNL 1 9.837 1.542 4.262 1.00 0.00 H HETATM 36 H UNL 1 7.427 1.394 4.770 1.00 0.00 H HETATM 37 H UNL 1 12.399 4.091 1.441 1.00 0.00 H HETATM 38 H UNL 1 12.565 3.565 3.052 1.00 0.00 H HETATM 39 H UNL 1 6.669 -2.462 -0.047 1.00 0.00 H HETATM 40 H UNL 1 3.179 -4.765 -1.057 1.00 0.00 H HETATM 41 H UNL 1 1.999 -2.722 -1.833 1.00 0.00 H HETATM 42 H UNL 1 1.865 -0.165 -1.138 1.00 0.00 H HETATM 43 H UNL 1 3.309 0.573 -1.842 1.00 0.00 H HETATM 44 H UNL 1 4.742 -0.945 1.395 1.00 0.00 H HETATM 45 H UNL 1 5.663 0.310 0.506 1.00 0.00 H CONECT 1 2 5 26 CONECT 2 1 3 8 CONECT 3 2 4 29 CONECT 4 3 5 CONECT 5 4 1 6 CONECT 6 5 30 31 32 CONECT 7 20 24 27 CONECT 8 2 9 CONECT 9 8 10 CONECT 10 9 11 15 CONECT 11 10 12 33 CONECT 12 11 13 34 CONECT 13 12 14 16 CONECT 14 13 15 35 CONECT 15 14 10 36 CONECT 16 17 18 19 13 CONECT 17 16 37 38 CONECT 18 16 CONECT 19 16 CONECT 20 7 21 39 CONECT 21 20 22 28 CONECT 22 21 23 40 CONECT 23 22 24 41 CONECT 24 23 7 25 CONECT 25 24 26 42 43 CONECT 26 25 27 1 CONECT 27 26 7 44 45 CONECT 28 21 CONECT 29 3 CONECT 30 6 CONECT 31 6 CONECT 32 6 CONECT 33 11 CONECT 34 12 CONECT 35 14 CONECT 36 15 CONECT 37 17 CONECT 38 17 CONECT 39 20 CONECT 40 22 CONECT 41 23 CONECT 42 25 CONECT 43 25 CONECT 44 27 CONECT 45 27 MASTER 0 0 0 0 0 0 0 0 45 0 45 0 END M END $$$$