D0WB2S AUTHOR GENERATED BY OPEN BABEL 2.4.1 HETATM 1 C UNL 1 1.610 -0.585 0.971 1.00 0.00 C HETATM 2 C UNL 1 0.452 0.274 0.650 1.00 0.00 C HETATM 3 C UNL 1 0.556 1.645 0.861 1.00 0.00 C HETATM 4 C UNL 1 -0.429 2.320 1.544 1.00 0.00 C HETATM 5 N UNL 1 -1.678 1.827 1.463 1.00 0.00 N HETATM 6 C UNL 1 -1.853 0.669 0.754 1.00 0.00 C HETATM 7 C UNL 1 -0.824 -0.157 0.350 1.00 0.00 C HETATM 8 CL UNL 1 -1.129 -1.528 -0.642 1.00 0.00 Cl HETATM 9 N UNL 1 -0.080 3.464 2.306 1.00 0.00 N HETATM 10 C UNL 1 1.301 3.449 2.860 1.00 0.00 C HETATM 11 C UNL 1 1.647 4.593 3.818 1.00 0.00 C HETATM 12 N UNL 1 0.519 5.200 4.478 1.00 0.00 N HETATM 13 C UNL 1 -0.784 4.912 4.206 1.00 0.00 C HETATM 14 C UNL 1 -1.159 3.833 3.242 1.00 0.00 C HETATM 15 N UNL 1 1.380 -1.903 1.187 1.00 0.00 N HETATM 16 C UNL 1 2.442 -2.708 1.426 1.00 0.00 C HETATM 17 C UNL 1 3.758 -2.266 1.421 1.00 0.00 C HETATM 18 C UNL 1 3.967 -0.896 1.339 1.00 0.00 C HETATM 19 C UNL 1 2.883 -0.048 1.183 1.00 0.00 C HETATM 20 C UNL 1 4.919 -3.203 1.367 1.00 0.00 C HETATM 21 C UNL 1 0.561 6.240 5.346 1.00 0.00 C HETATM 22 C UNL 1 -0.761 6.534 5.625 1.00 0.00 C HETATM 23 N UNL 1 -1.595 5.693 4.909 1.00 0.00 N HETATM 24 C UNL 1 -1.261 7.603 6.517 1.00 0.00 C HETATM 25 O UNL 1 -0.492 8.337 7.143 1.00 0.00 O HETATM 26 N UNL 1 -2.651 7.644 6.533 1.00 0.00 N HETATM 27 C UNL 1 -3.482 8.550 7.235 1.00 0.00 C HETATM 28 C UNL 1 -3.002 9.593 8.036 1.00 0.00 C HETATM 29 C UNL 1 -3.888 10.469 8.676 1.00 0.00 C HETATM 30 C UNL 1 -5.262 10.306 8.525 1.00 0.00 C HETATM 31 C UNL 1 -5.736 9.267 7.736 1.00 0.00 C HETATM 32 C UNL 1 -4.864 8.395 7.088 1.00 0.00 C HETATM 33 F UNL 1 -7.058 9.102 7.594 1.00 0.00 F HETATM 34 H UNL 1 1.229 2.225 0.222 1.00 0.00 H HETATM 35 H UNL 1 -2.889 0.422 0.532 1.00 0.00 H HETATM 36 H UNL 1 2.023 3.515 2.034 1.00 0.00 H HETATM 37 H UNL 1 1.506 2.498 3.373 1.00 0.00 H HETATM 38 H UNL 1 2.186 5.387 3.291 1.00 0.00 H HETATM 39 H UNL 1 2.304 4.226 4.613 1.00 0.00 H HETATM 40 H UNL 1 -2.019 4.181 2.661 1.00 0.00 H HETATM 41 H UNL 1 -1.473 2.964 3.839 1.00 0.00 H HETATM 42 H UNL 1 2.196 -3.754 1.598 1.00 0.00 H HETATM 43 H UNL 1 4.970 -0.480 1.358 1.00 0.00 H HETATM 44 H UNL 1 3.054 1.021 1.198 1.00 0.00 H HETATM 45 H UNL 1 4.762 -4.083 1.994 1.00 0.00 H HETATM 46 H UNL 1 5.834 -2.704 1.703 1.00 0.00 H HETATM 47 H UNL 1 5.070 -3.519 0.328 1.00 0.00 H HETATM 48 H UNL 1 1.472 6.710 5.708 1.00 0.00 H HETATM 49 H UNL 1 -3.109 6.927 5.950 1.00 0.00 H HETATM 50 H UNL 1 -1.939 9.754 8.186 1.00 0.00 H HETATM 51 H UNL 1 -3.499 11.277 9.291 1.00 0.00 H HETATM 52 H UNL 1 -5.960 10.976 9.016 1.00 0.00 H HETATM 53 H UNL 1 -5.284 7.603 6.477 1.00 0.00 H CONECT 1 2 15 19 CONECT 2 1 3 7 CONECT 3 2 4 34 CONECT 4 3 5 9 CONECT 5 4 6 CONECT 6 5 7 35 CONECT 7 6 2 8 CONECT 8 7 CONECT 9 4 10 14 CONECT 10 9 11 36 37 CONECT 11 10 12 38 39 CONECT 12 11 13 21 CONECT 13 12 14 23 CONECT 14 13 9 40 41 CONECT 15 1 16 CONECT 16 15 17 42 CONECT 17 16 18 20 CONECT 18 17 19 43 CONECT 19 18 1 44 CONECT 20 17 45 46 47 CONECT 21 12 22 48 CONECT 22 21 23 24 CONECT 23 22 13 CONECT 24 22 25 26 CONECT 25 24 CONECT 26 24 27 49 CONECT 27 26 28 32 CONECT 28 27 29 50 CONECT 29 28 30 51 CONECT 30 29 31 52 CONECT 31 30 32 33 CONECT 32 31 27 53 CONECT 33 31 CONECT 34 3 CONECT 35 6 CONECT 36 10 CONECT 37 10 CONECT 38 11 CONECT 39 11 CONECT 40 14 CONECT 41 14 CONECT 42 16 CONECT 43 18 CONECT 44 19 CONECT 45 20 CONECT 46 20 CONECT 47 20 CONECT 48 21 CONECT 49 26 CONECT 50 28 CONECT 51 29 CONECT 52 30 CONECT 53 32 MASTER 0 0 0 0 0 0 0 0 53 0 53 0 END M END $$$$