D0AR0L AUTHOR GENERATED BY OPEN BABEL 2.4.1 HETATM 1 N UNL 1 2.932 -0.980 1.276 1.00 0.00 N HETATM 2 C UNL 1 3.499 -1.991 2.080 1.00 0.00 C HETATM 3 N UNL 1 2.519 -2.683 2.629 1.00 0.00 N HETATM 4 N UNL 1 1.305 -2.132 2.258 1.00 0.00 N HETATM 5 C UNL 1 1.547 -1.117 1.447 1.00 0.00 C HETATM 6 C UNL 1 3.595 0.097 0.625 1.00 0.00 C HETATM 7 C UNL 1 4.930 -2.440 2.137 1.00 0.00 C HETATM 8 O UNL 1 5.682 -1.889 3.229 1.00 0.00 O HETATM 9 C UNL 1 5.592 -2.393 4.501 1.00 0.00 C HETATM 10 C UNL 1 4.569 -3.176 5.030 1.00 0.00 C HETATM 11 C UNL 1 4.462 -3.350 6.418 1.00 0.00 C HETATM 12 C UNL 1 5.302 -2.652 7.281 1.00 0.00 C HETATM 13 C UNL 1 6.361 -1.922 6.751 1.00 0.00 C HETATM 14 C UNL 1 6.577 -1.923 5.372 1.00 0.00 C HETATM 15 S UNL 1 0.265 -0.534 0.454 1.00 0.00 S HETATM 16 C UNL 1 -0.133 1.191 0.728 1.00 0.00 C HETATM 17 N UNL 1 0.403 2.007 1.667 1.00 0.00 N HETATM 18 C UNL 1 -0.069 3.309 1.698 1.00 0.00 C HETATM 19 C UNL 1 -1.045 3.812 0.838 1.00 0.00 C HETATM 20 C UNL 1 -1.579 2.963 -0.120 1.00 0.00 C HETATM 21 C UNL 1 -1.115 1.649 -0.163 1.00 0.00 C HETATM 22 C UNL 1 3.084 0.619 -0.567 1.00 0.00 C HETATM 23 C UNL 1 3.108 1.999 -0.793 1.00 0.00 C HETATM 24 C UNL 1 3.442 2.847 0.258 1.00 0.00 C HETATM 25 C UNL 1 3.922 2.305 1.443 1.00 0.00 C HETATM 26 C UNL 1 4.255 0.954 1.495 1.00 0.00 C HETATM 27 N UNL 1 -1.503 5.193 0.928 1.00 0.00 N1+ HETATM 28 O UNL 1 -0.917 5.951 1.694 1.00 0.00 O HETATM 29 O UNL 1 -2.482 5.526 0.219 1.00 0.00 O1- HETATM 30 H UNL 1 5.449 -2.131 1.221 1.00 0.00 H HETATM 31 H UNL 1 4.995 -3.535 2.167 1.00 0.00 H HETATM 32 H UNL 1 3.820 -3.641 4.406 1.00 0.00 H HETATM 33 H UNL 1 3.683 -3.991 6.831 1.00 0.00 H HETATM 34 H UNL 1 5.148 -2.689 8.354 1.00 0.00 H HETATM 35 H UNL 1 7.006 -1.337 7.402 1.00 0.00 H HETATM 36 H UNL 1 7.511 -1.531 4.981 1.00 0.00 H HETATM 37 H UNL 1 0.384 3.938 2.465 1.00 0.00 H HETATM 38 H UNL 1 -2.345 3.292 -0.818 1.00 0.00 H HETATM 39 H UNL 1 -1.544 0.978 -0.902 1.00 0.00 H HETATM 40 H UNL 1 2.584 -0.021 -1.290 1.00 0.00 H HETATM 41 H UNL 1 2.712 2.415 -1.714 1.00 0.00 H HETATM 42 H UNL 1 3.268 3.916 0.182 1.00 0.00 H HETATM 43 H UNL 1 3.907 2.890 2.360 1.00 0.00 H HETATM 44 H UNL 1 5.338 0.768 1.595 1.00 0.00 H CONECT 1 2 5 6 CONECT 2 1 3 7 CONECT 3 2 4 CONECT 4 3 5 CONECT 5 4 1 15 CONECT 6 1 22 26 CONECT 7 2 8 30 31 CONECT 8 7 9 CONECT 9 8 10 14 CONECT 10 9 11 32 CONECT 11 10 12 33 CONECT 12 11 13 34 CONECT 13 12 14 35 CONECT 14 13 9 36 CONECT 15 5 16 CONECT 16 15 17 21 CONECT 17 16 18 CONECT 18 17 19 37 CONECT 19 18 20 27 CONECT 20 19 21 38 CONECT 21 20 16 39 CONECT 22 6 23 40 CONECT 23 22 24 41 CONECT 24 23 25 42 CONECT 25 24 26 43 CONECT 26 25 6 44 CONECT 27 19 28 29 CONECT 28 27 CONECT 29 27 CONECT 30 7 CONECT 31 7 CONECT 32 10 CONECT 33 11 CONECT 34 12 CONECT 35 13 CONECT 36 14 CONECT 37 18 CONECT 38 20 CONECT 39 21 CONECT 40 22 CONECT 41 23 CONECT 42 24 CONECT 43 25 CONECT 44 26 MASTER 0 0 0 0 0 0 0 0 44 0 44 0 END M END $$$$