D0N1VC AUTHOR GENERATED BY OPEN BABEL 2.4.1 HETATM 1 N UNL 1 1.068 0.854 0.576 1.00 0.00 N HETATM 2 C UNL 1 0.940 -0.170 1.524 1.00 0.00 C HETATM 3 N UNL 1 2.250 -0.475 1.900 1.00 0.00 N HETATM 4 C UNL 1 3.122 0.332 1.200 1.00 0.00 C HETATM 5 C UNL 1 2.400 1.131 0.395 1.00 0.00 C HETATM 6 S UNL 1 -0.458 -0.862 2.044 1.00 0.00 S HETATM 7 C UNL 1 4.604 0.183 1.327 1.00 0.00 C HETATM 8 C UNL 1 5.186 0.515 2.721 1.00 0.00 C HETATM 9 C UNL 1 4.652 -0.477 3.822 1.00 0.00 C HETATM 10 O UNL 1 4.324 -1.626 3.418 1.00 0.00 O1- HETATM 11 O UNL 1 4.740 -0.020 4.998 1.00 0.00 O HETATM 12 N UNL 1 6.827 0.614 2.644 1.00 0.00 N1+ HETATM 13 C UNL 1 7.397 -0.705 2.157 1.00 0.00 C HETATM 14 C UNL 1 7.267 1.771 1.788 1.00 0.00 C HETATM 15 C UNL 1 7.329 0.842 4.079 1.00 0.00 C HETATM 16 H UNL 1 0.289 1.272 0.087 1.00 0.00 H HETATM 17 H UNL 1 2.534 -1.206 2.560 1.00 0.00 H HETATM 18 H UNL 1 2.733 1.862 -0.325 1.00 0.00 H HETATM 19 H UNL 1 5.057 0.833 0.572 1.00 0.00 H HETATM 20 H UNL 1 4.859 -0.843 1.035 1.00 0.00 H HETATM 21 H UNL 1 4.879 1.529 3.011 1.00 0.00 H HETATM 22 H UNL 1 7.082 -0.870 1.125 1.00 0.00 H HETATM 23 H UNL 1 7.053 -1.513 2.808 1.00 0.00 H HETATM 24 H UNL 1 8.489 -0.634 2.191 1.00 0.00 H HETATM 25 H UNL 1 7.024 1.564 0.744 1.00 0.00 H HETATM 26 H UNL 1 8.351 1.885 1.885 1.00 0.00 H HETATM 27 H UNL 1 6.760 2.676 2.134 1.00 0.00 H HETATM 28 H UNL 1 7.151 -0.055 4.677 1.00 0.00 H HETATM 29 H UNL 1 6.826 1.722 4.488 1.00 0.00 H HETATM 30 H UNL 1 8.409 1.017 4.031 1.00 0.00 H CONECT 1 2 5 16 CONECT 2 1 3 6 CONECT 3 2 4 17 CONECT 4 3 5 7 CONECT 5 4 1 18 CONECT 6 2 CONECT 7 4 8 19 20 CONECT 8 7 9 12 21 CONECT 9 8 10 11 CONECT 10 9 CONECT 11 9 CONECT 12 8 13 14 15 CONECT 13 12 22 23 24 CONECT 14 12 25 26 27 CONECT 15 12 28 29 30 CONECT 16 1 CONECT 17 3 CONECT 18 5 CONECT 19 7 CONECT 20 7 CONECT 21 8 CONECT 22 13 CONECT 23 13 CONECT 24 13 CONECT 25 14 CONECT 26 14 CONECT 27 14 CONECT 28 15 CONECT 29 15 CONECT 30 15 MASTER 0 0 0 0 0 0 0 0 30 0 30 0 END M END $$$$