D0C1YW AUTHOR GENERATED BY OPEN BABEL 2.4.1 HETATM 1 C UNL 1 0.931 1.322 -0.074 1.00 0.00 C HETATM 2 C UNL 1 0.155 1.382 1.091 1.00 0.00 C HETATM 3 C UNL 1 0.703 1.877 2.283 1.00 0.00 C HETATM 4 C UNL 1 2.026 2.327 2.297 1.00 0.00 C HETATM 5 C UNL 1 2.809 2.289 1.134 1.00 0.00 C HETATM 6 C UNL 1 2.253 1.772 -0.048 1.00 0.00 C HETATM 7 C UNL 1 4.254 2.747 1.183 1.00 0.00 C HETATM 8 C UNL 1 5.164 1.583 1.582 1.00 0.00 C HETATM 9 C UNL 1 6.654 1.938 1.706 1.00 0.00 C HETATM 10 N UNL 1 7.076 2.932 2.723 1.00 0.00 N HETATM 11 C UNL 1 6.568 2.585 4.070 1.00 0.00 C HETATM 12 C UNL 1 6.941 3.541 5.222 1.00 0.00 C HETATM 13 C UNL 1 6.474 4.983 5.012 1.00 0.00 C HETATM 14 C UNL 1 6.876 5.866 6.187 1.00 0.00 C HETATM 15 C UNL 1 8.559 3.021 2.741 1.00 0.00 C HETATM 16 C UNL 1 9.220 3.492 1.436 1.00 0.00 C HETATM 17 C UNL 1 8.736 4.874 0.999 1.00 0.00 C HETATM 18 C UNL 1 9.411 5.313 -0.290 1.00 0.00 C HETATM 19 N UNL 1 -1.240 0.930 1.069 1.00 0.00 N1+ HETATM 20 O UNL 1 -1.710 0.558 -0.016 1.00 0.00 O HETATM 21 O UNL 1 -1.870 0.948 2.138 1.00 0.00 O1- HETATM 22 H UNL 1 0.520 0.926 -1.001 1.00 0.00 H HETATM 23 H UNL 1 0.122 1.915 3.201 1.00 0.00 H HETATM 24 H UNL 1 2.449 2.706 3.226 1.00 0.00 H HETATM 25 H UNL 1 2.851 1.713 -0.956 1.00 0.00 H HETATM 26 H UNL 1 4.345 3.579 1.891 1.00 0.00 H HETATM 27 H UNL 1 4.546 3.145 0.203 1.00 0.00 H HETATM 28 H UNL 1 5.080 0.806 0.810 1.00 0.00 H HETATM 29 H UNL 1 4.809 1.113 2.507 1.00 0.00 H HETATM 30 H UNL 1 6.960 2.296 0.716 1.00 0.00 H HETATM 31 H UNL 1 7.191 0.996 1.881 1.00 0.00 H HETATM 32 H UNL 1 6.906 1.577 4.345 1.00 0.00 H HETATM 33 H UNL 1 5.473 2.558 4.043 1.00 0.00 H HETATM 34 H UNL 1 8.021 3.521 5.407 1.00 0.00 H HETATM 35 H UNL 1 6.482 3.155 6.141 1.00 0.00 H HETATM 36 H UNL 1 5.384 5.008 4.902 1.00 0.00 H HETATM 37 H UNL 1 6.904 5.399 4.094 1.00 0.00 H HETATM 38 H UNL 1 6.427 5.509 7.120 1.00 0.00 H HETATM 39 H UNL 1 6.542 6.896 6.024 1.00 0.00 H HETATM 40 H UNL 1 7.963 5.880 6.313 1.00 0.00 H HETATM 41 H UNL 1 8.990 2.050 3.021 1.00 0.00 H HETATM 42 H UNL 1 8.881 3.737 3.505 1.00 0.00 H HETATM 43 H UNL 1 9.066 2.760 0.635 1.00 0.00 H HETATM 44 H UNL 1 10.305 3.529 1.600 1.00 0.00 H HETATM 45 H UNL 1 8.951 5.606 1.787 1.00 0.00 H HETATM 46 H UNL 1 7.651 4.870 0.847 1.00 0.00 H HETATM 47 H UNL 1 10.497 5.367 -0.166 1.00 0.00 H HETATM 48 H UNL 1 9.051 6.303 -0.587 1.00 0.00 H HETATM 49 H UNL 1 9.192 4.613 -1.102 1.00 0.00 H CONECT 1 2 6 22 CONECT 2 1 3 19 CONECT 3 2 4 23 CONECT 4 3 5 24 CONECT 5 4 6 7 CONECT 6 5 1 25 CONECT 7 5 8 26 27 CONECT 8 7 9 28 29 CONECT 9 8 10 30 31 CONECT 10 9 11 15 CONECT 11 10 12 32 33 CONECT 12 11 13 34 35 CONECT 13 12 14 36 37 CONECT 14 13 38 39 40 CONECT 15 10 16 41 42 CONECT 16 15 17 43 44 CONECT 17 16 18 45 46 CONECT 18 17 47 48 49 CONECT 19 2 20 21 CONECT 20 19 CONECT 21 19 CONECT 22 1 CONECT 23 3 CONECT 24 4 CONECT 25 6 CONECT 26 7 CONECT 27 7 CONECT 28 8 CONECT 29 8 CONECT 30 9 CONECT 31 9 CONECT 32 11 CONECT 33 11 CONECT 34 12 CONECT 35 12 CONECT 36 13 CONECT 37 13 CONECT 38 14 CONECT 39 14 CONECT 40 14 CONECT 41 15 CONECT 42 15 CONECT 43 16 CONECT 44 16 CONECT 45 17 CONECT 46 17 CONECT 47 18 CONECT 48 18 CONECT 49 18 MASTER 0 0 0 0 0 0 0 0 49 0 49 0 END M END $$$$