D04BXA AUTHOR GENERATED BY OPEN BABEL 2.4.1 HETATM 1 C UNL 1 0.761 1.215 -0.189 1.00 0.00 C HETATM 2 N UNL 1 0.258 2.330 -1.079 1.00 0.00 N HETATM 3 N UNL 1 1.326 2.388 -1.899 1.00 0.00 N HETATM 4 C UNL 1 1.575 1.056 -2.032 1.00 0.00 C HETATM 5 C UNL 1 0.687 0.183 -1.160 1.00 0.00 C HETATM 6 C UNL 1 -1.011 2.486 -1.979 1.00 0.00 C HETATM 7 C UNL 1 -1.353 3.834 -2.163 1.00 0.00 C HETATM 8 C UNL 1 -1.452 4.395 -3.453 1.00 0.00 C HETATM 9 C UNL 1 -1.173 3.619 -4.586 1.00 0.00 C HETATM 10 C UNL 1 -1.020 2.260 -4.469 1.00 0.00 C HETATM 11 C UNL 1 -1.101 1.700 -3.186 1.00 0.00 C HETATM 12 CL UNL 1 -2.054 0.223 -3.279 1.00 0.00 Cl HETATM 13 C UNL 1 -0.699 -0.301 -0.794 1.00 0.00 C HETATM 14 CL UNL 1 -1.124 4.328 -6.153 1.00 0.00 Cl HETATM 15 C UNL 1 2.996 0.791 -2.563 1.00 0.00 C HETATM 16 S UNL 1 4.028 2.120 -3.082 1.00 0.00 S HETATM 17 C UNL 1 5.363 1.044 -3.075 1.00 0.00 C HETATM 18 N UNL 1 4.979 -0.212 -2.870 1.00 0.00 N HETATM 19 N UNL 1 3.627 -0.360 -2.566 1.00 0.00 N HETATM 20 C UNL 1 1.712 0.969 0.954 1.00 0.00 C HETATM 21 C UNL 1 2.803 1.741 1.346 1.00 0.00 C HETATM 22 C UNL 1 3.784 1.203 2.213 1.00 0.00 C HETATM 23 C UNL 1 3.715 -0.119 2.678 1.00 0.00 C HETATM 24 C UNL 1 2.639 -0.902 2.321 1.00 0.00 C HETATM 25 C UNL 1 1.650 -0.349 1.506 1.00 0.00 C HETATM 26 BR UNL 1 5.079 -0.869 3.753 1.00 0.00 Br HETATM 27 C UNL 1 6.824 1.471 -3.160 1.00 0.00 C HETATM 28 C UNL 1 7.073 2.895 -3.696 1.00 0.00 C HETATM 29 C UNL 1 7.424 1.386 -1.740 1.00 0.00 C HETATM 30 C UNL 1 7.588 0.495 -4.076 1.00 0.00 C HETATM 31 N UNL 1 -0.931 -1.603 -0.476 1.00 0.00 N HETATM 32 O UNL 1 -1.624 0.443 -0.418 1.00 0.00 O HETATM 33 C UNL 1 -0.440 -2.780 -1.059 1.00 0.00 C HETATM 34 C UNL 1 -0.195 -3.017 -2.512 1.00 0.00 C HETATM 35 C UNL 1 -1.461 -3.523 -1.888 1.00 0.00 C HETATM 36 H UNL 1 -1.485 4.488 -1.305 1.00 0.00 H HETATM 37 H UNL 1 -1.714 5.432 -3.587 1.00 0.00 H HETATM 38 H UNL 1 -0.991 1.622 -5.349 1.00 0.00 H HETATM 39 H UNL 1 2.960 2.734 0.937 1.00 0.00 H HETATM 40 H UNL 1 4.650 1.803 2.502 1.00 0.00 H HETATM 41 H UNL 1 2.562 -1.946 2.625 1.00 0.00 H HETATM 42 H UNL 1 0.841 -1.023 1.242 1.00 0.00 H HETATM 43 H UNL 1 6.603 3.667 -3.077 1.00 0.00 H HETATM 44 H UNL 1 6.713 3.014 -4.724 1.00 0.00 H HETATM 45 H UNL 1 8.150 3.118 -3.707 1.00 0.00 H HETATM 46 H UNL 1 6.901 2.057 -1.047 1.00 0.00 H HETATM 47 H UNL 1 8.484 1.665 -1.736 1.00 0.00 H HETATM 48 H UNL 1 7.348 0.371 -1.335 1.00 0.00 H HETATM 49 H UNL 1 7.239 0.573 -5.112 1.00 0.00 H HETATM 50 H UNL 1 7.459 -0.546 -3.760 1.00 0.00 H HETATM 51 H UNL 1 8.664 0.707 -4.070 1.00 0.00 H HETATM 52 H UNL 1 -1.824 -1.665 0.007 1.00 0.00 H HETATM 53 H UNL 1 0.147 -3.369 -0.363 1.00 0.00 H HETATM 54 H UNL 1 0.565 -3.744 -2.778 1.00 0.00 H HETATM 55 H UNL 1 -0.259 -2.181 -3.196 1.00 0.00 H HETATM 56 H UNL 1 -1.594 -4.574 -1.671 1.00 0.00 H HETATM 57 H UNL 1 -2.384 -3.008 -2.149 1.00 0.00 H CONECT 1 2 5 20 CONECT 2 1 3 6 CONECT 3 2 4 CONECT 4 3 5 15 CONECT 5 4 1 13 CONECT 6 2 7 11 CONECT 7 6 8 36 CONECT 8 7 9 37 CONECT 9 8 10 14 CONECT 10 9 11 38 CONECT 11 10 6 12 CONECT 12 11 CONECT 13 5 31 32 CONECT 14 9 CONECT 15 4 16 19 CONECT 16 15 17 CONECT 17 16 18 27 CONECT 18 17 19 CONECT 19 18 15 CONECT 20 1 21 25 CONECT 21 20 22 39 CONECT 22 21 23 40 CONECT 23 22 24 26 CONECT 24 23 25 41 CONECT 25 24 20 42 CONECT 26 23 CONECT 27 17 28 29 30 CONECT 28 27 43 44 45 CONECT 29 27 46 47 48 CONECT 30 27 49 50 51 CONECT 31 13 33 52 CONECT 32 13 CONECT 33 31 34 35 53 CONECT 34 33 35 54 55 CONECT 35 34 33 56 57 CONECT 36 7 CONECT 37 8 CONECT 38 10 CONECT 39 21 CONECT 40 22 CONECT 41 24 CONECT 42 25 CONECT 43 28 CONECT 44 28 CONECT 45 28 CONECT 46 29 CONECT 47 29 CONECT 48 29 CONECT 49 30 CONECT 50 30 CONECT 51 30 CONECT 52 31 CONECT 53 33 CONECT 54 34 CONECT 55 34 CONECT 56 35 CONECT 57 35 MASTER 0 0 0 0 0 0 0 0 57 0 57 0 END M END $$$$