D04AQR AUTHOR GENERATED BY OPEN BABEL 2.4.1 HETATM 1 C UNL 1 0.684 0.698 -1.606 1.00 0.00 C HETATM 2 C UNL 1 0.327 1.897 -2.425 1.00 0.00 C HETATM 3 C UNL 1 -0.454 1.842 -3.521 1.00 0.00 C HETATM 4 C UNL 1 -1.030 0.599 -3.832 1.00 0.00 C HETATM 5 N UNL 1 -1.143 -0.276 -2.744 1.00 0.00 N HETATM 6 C UNL 1 -0.213 -0.319 -1.691 1.00 0.00 C HETATM 7 N UNL 1 -1.331 -0.041 -4.965 1.00 0.00 N HETATM 8 C UNL 1 -1.422 -1.351 -4.499 1.00 0.00 C HETATM 9 C UNL 1 -2.094 -1.174 -3.249 1.00 0.00 C HETATM 10 C UNL 1 1.938 0.727 -0.756 1.00 0.00 C HETATM 11 C UNL 1 2.487 -0.279 0.043 1.00 0.00 C HETATM 12 C UNL 1 3.714 -0.067 0.723 1.00 0.00 C HETATM 13 C UNL 1 4.266 1.204 0.813 1.00 0.00 C HETATM 14 C UNL 1 3.613 2.228 0.170 1.00 0.00 C HETATM 15 C UNL 1 2.692 1.904 -0.812 1.00 0.00 C HETATM 16 C UNL 1 -3.641 -0.862 -2.895 1.00 0.00 C HETATM 17 N UNL 1 -4.352 0.340 -3.385 1.00 0.00 N HETATM 18 C UNL 1 -4.772 1.601 -2.736 1.00 0.00 C HETATM 19 C UNL 1 -4.845 2.872 -3.739 1.00 0.00 C HETATM 20 N UNL 1 -4.903 2.634 -5.207 1.00 0.00 N HETATM 21 C UNL 1 -4.307 1.322 -5.496 1.00 0.00 C HETATM 22 C UNL 1 -5.017 0.249 -4.673 1.00 0.00 C HETATM 23 C UNL 1 -0.165 -2.207 -4.825 1.00 0.00 C HETATM 24 C UNL 1 0.672 -2.833 -3.894 1.00 0.00 C HETATM 25 C UNL 1 2.011 -3.241 -4.256 1.00 0.00 C HETATM 26 C UNL 1 2.478 -3.048 -5.569 1.00 0.00 C HETATM 27 C UNL 1 1.622 -2.507 -6.538 1.00 0.00 C HETATM 28 C UNL 1 0.328 -2.088 -6.173 1.00 0.00 C HETATM 29 N UNL 1 3.873 -3.378 -5.916 1.00 0.00 N1+ HETATM 30 O UNL 1 4.520 -4.062 -5.108 1.00 0.00 O HETATM 31 O UNL 1 4.322 -2.957 -6.994 1.00 0.00 O1- HETATM 32 H UNL 1 0.688 2.868 -2.115 1.00 0.00 H HETATM 33 H UNL 1 -0.666 2.705 -4.139 1.00 0.00 H HETATM 34 H UNL 1 -0.195 -1.206 -1.096 1.00 0.00 H HETATM 35 H UNL 1 2.025 -1.256 0.126 1.00 0.00 H HETATM 36 H UNL 1 4.206 -0.879 1.255 1.00 0.00 H HETATM 37 H UNL 1 5.148 1.417 1.409 1.00 0.00 H HETATM 38 H UNL 1 3.692 3.252 0.527 1.00 0.00 H HETATM 39 H UNL 1 2.680 2.519 -1.711 1.00 0.00 H HETATM 40 H UNL 1 -3.775 -0.972 -1.811 1.00 0.00 H HETATM 41 H UNL 1 -4.164 -1.729 -3.325 1.00 0.00 H HETATM 42 H UNL 1 -4.162 1.881 -1.872 1.00 0.00 H HETATM 43 H UNL 1 -5.806 1.495 -2.361 1.00 0.00 H HETATM 44 H UNL 1 -3.968 3.505 -3.562 1.00 0.00 H HETATM 45 H UNL 1 -5.715 3.500 -3.491 1.00 0.00 H HETATM 46 H UNL 1 -5.874 2.612 -5.514 1.00 0.00 H HETATM 47 H UNL 1 -3.250 1.384 -5.226 1.00 0.00 H HETATM 48 H UNL 1 -4.339 1.078 -6.558 1.00 0.00 H HETATM 49 H UNL 1 -4.979 -0.743 -5.124 1.00 0.00 H HETATM 50 H UNL 1 -6.097 0.481 -4.582 1.00 0.00 H HETATM 51 H UNL 1 0.385 -2.900 -2.862 1.00 0.00 H HETATM 52 H UNL 1 2.649 -3.669 -3.502 1.00 0.00 H HETATM 53 H UNL 1 1.971 -2.372 -7.560 1.00 0.00 H HETATM 54 H UNL 1 -0.283 -1.618 -6.942 1.00 0.00 H CONECT 1 2 6 10 CONECT 2 1 3 32 CONECT 3 2 4 33 CONECT 4 3 5 7 CONECT 5 4 6 9 CONECT 6 5 1 34 CONECT 7 4 8 CONECT 8 7 9 23 CONECT 9 8 5 16 CONECT 10 1 11 15 CONECT 11 10 12 35 CONECT 12 11 13 36 CONECT 13 12 14 37 CONECT 14 13 15 38 CONECT 15 14 10 39 CONECT 16 9 17 40 41 CONECT 17 16 18 22 CONECT 18 17 19 42 43 CONECT 19 18 20 44 45 CONECT 20 19 21 46 CONECT 21 20 22 47 48 CONECT 22 21 17 49 50 CONECT 23 8 24 28 CONECT 24 23 25 51 CONECT 25 24 26 52 CONECT 26 25 27 29 CONECT 27 26 28 53 CONECT 28 27 23 54 CONECT 29 26 30 31 CONECT 30 29 CONECT 31 29 CONECT 32 2 CONECT 33 3 CONECT 34 6 CONECT 35 11 CONECT 36 12 CONECT 37 13 CONECT 38 14 CONECT 39 15 CONECT 40 16 CONECT 41 16 CONECT 42 18 CONECT 43 18 CONECT 44 19 CONECT 45 19 CONECT 46 20 CONECT 47 21 CONECT 48 21 CONECT 49 22 CONECT 50 22 CONECT 51 24 CONECT 52 25 CONECT 53 27 CONECT 54 28 MASTER 0 0 0 0 0 0 0 0 54 0 54 0 END M END $$$$