D05COE AUTHOR GENERATED BY OPEN BABEL 2.4.1 HETATM 1 C UNL 1 -0.228 0.513 4.153 1.00 0.00 C HETATM 2 C UNL 1 -1.847 1.443 4.786 1.00 0.00 C HETATM 3 C UNL 1 -1.127 1.105 3.585 1.00 0.00 C HETATM 4 C UNL 1 -0.098 2.542 3.913 1.00 0.00 C HETATM 5 C UNL 1 1.219 2.445 3.645 1.00 0.00 C HETATM 6 C UNL 1 0.828 1.431 3.023 1.00 0.00 C HETATM 7 N UNL 1 2.574 2.302 4.186 1.00 0.00 N HETATM 8 C UNL 1 1.056 -0.388 2.941 1.00 0.00 C HETATM 9 C UNL 1 1.915 -1.537 3.273 1.00 0.00 C HETATM 10 C UNL 1 3.247 -2.082 2.692 1.00 0.00 C HETATM 11 C UNL 1 4.148 -1.551 1.750 1.00 0.00 C HETATM 12 C UNL 1 3.646 -0.420 1.182 1.00 0.00 C HETATM 13 C UNL 1 2.296 0.162 1.635 1.00 0.00 C HETATM 14 C UNL 1 3.475 1.909 5.234 1.00 0.00 C HETATM 15 O UNL 1 4.652 1.938 4.817 1.00 0.00 O HETATM 16 C UNL 1 3.250 1.234 6.560 1.00 0.00 C HETATM 17 S UNL 1 4.149 1.637 8.120 1.00 0.00 S HETATM 18 C UNL 1 4.018 -0.038 8.639 1.00 0.00 C HETATM 19 C UNL 1 3.877 -0.663 7.425 1.00 0.00 C HETATM 20 N UNL 1 3.014 -0.064 6.538 1.00 0.00 N HETATM 21 C UNL 1 4.361 -0.785 9.928 1.00 0.00 C HETATM 22 N UNL 1 4.395 -2.256 9.746 1.00 0.00 N HETATM 23 C UNL 1 4.659 -2.777 8.403 1.00 0.00 C HETATM 24 C UNL 1 4.493 -1.951 7.130 1.00 0.00 C HETATM 25 N UNL 1 4.234 0.190 -0.038 1.00 0.00 N HETATM 26 N UNL 1 3.237 0.905 -0.585 1.00 0.00 N HETATM 27 C UNL 1 2.160 0.454 0.097 1.00 0.00 C HETATM 28 C UNL 1 5.431 -0.124 -0.911 1.00 0.00 C HETATM 29 C UNL 1 0.167 1.773 1.523 1.00 0.00 C HETATM 30 N UNL 1 -0.372 1.959 0.500 1.00 0.00 N HETATM 31 H UNL 1 -2.363 1.685 5.646 1.00 0.00 H HETATM 32 H UNL 1 -1.800 1.265 2.688 1.00 0.00 H HETATM 33 H UNL 1 -0.275 3.051 4.881 1.00 0.00 H HETATM 34 H UNL 1 3.188 2.116 3.384 1.00 0.00 H HETATM 35 H UNL 1 1.549 -2.184 4.064 1.00 0.00 H HETATM 36 H UNL 1 3.587 -3.072 3.017 1.00 0.00 H HETATM 37 H UNL 1 5.050 -2.042 1.355 1.00 0.00 H HETATM 38 H UNL 1 5.306 -0.519 10.417 1.00 0.00 H HETATM 39 H UNL 1 3.574 -0.632 10.684 1.00 0.00 H HETATM 40 H UNL 1 3.580 -2.722 10.148 1.00 0.00 H HETATM 41 H UNL 1 5.687 -3.149 8.419 1.00 0.00 H HETATM 42 H UNL 1 3.967 -3.612 8.268 1.00 0.00 H HETATM 43 H UNL 1 3.882 -2.470 6.389 1.00 0.00 H HETATM 44 H UNL 1 5.478 -1.794 6.660 1.00 0.00 H HETATM 45 H UNL 1 1.390 0.092 -0.588 1.00 0.00 H HETATM 46 H UNL 1 5.949 -1.050 -0.633 1.00 0.00 H HETATM 47 H UNL 1 6.186 0.688 -0.926 1.00 0.00 H HETATM 48 H UNL 1 5.139 -0.244 -1.976 1.00 0.00 H CONECT 1 2 6 8 CONECT 2 1 3 31 CONECT 3 2 4 32 CONECT 4 3 5 33 CONECT 5 4 6 7 CONECT 6 5 1 29 CONECT 7 5 14 34 CONECT 8 1 9 13 CONECT 9 8 10 35 CONECT 10 9 11 36 CONECT 11 10 12 37 CONECT 12 11 13 25 CONECT 13 12 8 27 CONECT 14 7 15 16 CONECT 15 14 CONECT 16 14 17 20 CONECT 17 16 18 CONECT 18 17 19 21 CONECT 19 18 20 24 CONECT 20 19 16 CONECT 21 18 22 38 39 CONECT 22 21 23 40 CONECT 23 22 24 41 42 CONECT 24 23 19 43 44 CONECT 25 12 26 28 CONECT 26 25 27 CONECT 27 26 13 45 CONECT 28 25 46 47 48 CONECT 29 6 30 CONECT 30 29 CONECT 31 2 CONECT 32 3 CONECT 33 4 CONECT 34 7 CONECT 35 9 CONECT 36 10 CONECT 37 11 CONECT 38 21 CONECT 39 21 CONECT 40 22 CONECT 41 23 CONECT 42 23 CONECT 43 24 CONECT 44 24 CONECT 45 27 CONECT 46 28 CONECT 47 28 CONECT 48 28 MASTER 0 0 0 0 0 0 0 0 48 0 48 0 END M END $$$$