D00JEC AUTHOR GENERATED BY OPEN BABEL 2.4.1 HETATM 1 N UNL 1 -3.398 4.587 3.892 1.00 0.00 N HETATM 2 C UNL 1 -3.384 3.474 4.695 1.00 0.00 C HETATM 3 N UNL 1 -3.744 2.394 4.028 1.00 0.00 N HETATM 4 C UNL 1 -3.998 2.856 2.740 1.00 0.00 C HETATM 5 C UNL 1 -3.784 4.209 2.648 1.00 0.00 C HETATM 6 C UNL 1 -3.062 5.934 4.247 1.00 0.00 C HETATM 7 S UNL 1 -4.478 1.839 1.363 1.00 0.00 S HETATM 8 O UNL 1 -5.736 2.439 0.944 1.00 0.00 O HETATM 9 O UNL 1 -3.310 1.841 0.557 1.00 0.00 O HETATM 10 N UNL 1 -4.747 0.298 1.927 1.00 0.00 N HETATM 11 C UNL 1 -5.938 0.100 2.748 1.00 0.00 C HETATM 12 C UNL 1 -6.155 -1.386 2.909 1.00 0.00 C HETATM 13 O UNL 1 -6.975 -1.611 4.027 1.00 0.00 O HETATM 14 C UNL 1 -8.319 -1.696 3.935 1.00 0.00 C HETATM 15 C UNL 1 -9.219 -1.412 2.911 1.00 0.00 C HETATM 16 C UNL 1 -10.578 -1.633 3.173 1.00 0.00 C HETATM 17 C UNL 1 -10.996 -1.955 4.462 1.00 0.00 C HETATM 18 C UNL 1 -10.079 -2.217 5.510 1.00 0.00 C HETATM 19 C UNL 1 -8.732 -2.158 5.162 1.00 0.00 C HETATM 20 C UNL 1 -10.441 -2.692 6.988 1.00 0.00 C HETATM 21 C UNL 1 -10.951 -4.252 6.197 1.00 0.00 C HETATM 22 N UNL 1 -11.765 -4.444 7.378 1.00 0.00 N HETATM 23 C UNL 1 -10.584 -3.885 8.085 1.00 0.00 C HETATM 24 C UNL 1 -9.973 -1.461 7.928 1.00 0.00 C HETATM 25 C UNL 1 -8.748 -1.403 9.001 1.00 0.00 C HETATM 26 C UNL 1 -7.806 -0.291 9.073 1.00 0.00 C HETATM 27 C UNL 1 -7.716 0.574 10.223 1.00 0.00 C HETATM 28 C UNL 1 -8.594 0.345 11.267 1.00 0.00 C HETATM 29 C UNL 1 -9.633 -0.510 10.969 1.00 0.00 C HETATM 30 C UNL 1 -9.205 -1.660 10.289 1.00 0.00 C HETATM 31 C UNL 1 -11.978 -5.878 7.532 1.00 0.00 C HETATM 32 H UNL 1 -3.107 3.503 5.740 1.00 0.00 H HETATM 33 H UNL 1 -3.873 4.884 1.812 1.00 0.00 H HETATM 34 H UNL 1 -2.779 5.989 5.306 1.00 0.00 H HETATM 35 H UNL 1 -3.938 6.560 4.056 1.00 0.00 H HETATM 36 H UNL 1 -2.229 6.254 3.613 1.00 0.00 H HETATM 37 H UNL 1 -3.900 -0.047 2.355 1.00 0.00 H HETATM 38 H UNL 1 -6.813 0.543 2.289 1.00 0.00 H HETATM 39 H UNL 1 -5.795 0.562 3.720 1.00 0.00 H HETATM 40 H UNL 1 -5.207 -1.873 3.179 1.00 0.00 H HETATM 41 H UNL 1 -6.524 -1.895 2.014 1.00 0.00 H HETATM 42 H UNL 1 -8.922 -1.028 1.944 1.00 0.00 H HETATM 43 H UNL 1 -11.314 -1.557 2.365 1.00 0.00 H HETATM 44 H UNL 1 -12.066 -2.099 4.647 1.00 0.00 H HETATM 45 H UNL 1 -8.002 -2.465 5.894 1.00 0.00 H HETATM 46 H UNL 1 -10.124 -4.963 6.007 1.00 0.00 H HETATM 47 H UNL 1 -11.548 -4.238 5.276 1.00 0.00 H HETATM 48 H UNL 1 -9.717 -4.553 8.187 1.00 0.00 H HETATM 49 H UNL 1 -10.878 -3.579 9.093 1.00 0.00 H HETATM 50 H UNL 1 -10.861 -1.240 8.531 1.00 0.00 H HETATM 51 H UNL 1 -9.844 -0.556 7.315 1.00 0.00 H HETATM 52 H UNL 1 -6.841 -0.343 8.551 1.00 0.00 H HETATM 53 H UNL 1 -6.888 1.269 10.384 1.00 0.00 H HETATM 54 H UNL 1 -8.250 0.480 12.293 1.00 0.00 H HETATM 55 H UNL 1 -10.376 0.053 10.350 1.00 0.00 H HETATM 56 H UNL 1 -8.470 -2.223 10.899 1.00 0.00 H HETATM 57 H UNL 1 -12.692 -6.225 6.767 1.00 0.00 H HETATM 58 H UNL 1 -12.430 -6.098 8.501 1.00 0.00 H HETATM 59 H UNL 1 -11.075 -6.489 7.417 1.00 0.00 H CONECT 1 2 5 6 CONECT 2 1 3 32 CONECT 3 2 4 CONECT 4 3 5 7 CONECT 5 4 1 33 CONECT 6 1 34 35 36 CONECT 7 4 8 9 10 CONECT 8 7 CONECT 9 7 CONECT 10 7 11 37 CONECT 11 10 12 38 39 CONECT 12 11 13 40 41 CONECT 13 12 14 CONECT 14 13 15 19 CONECT 15 14 16 42 CONECT 16 15 17 43 CONECT 17 16 18 44 CONECT 18 17 19 20 CONECT 19 18 14 45 CONECT 20 18 21 23 24 CONECT 21 20 22 46 47 CONECT 22 21 23 31 CONECT 23 22 20 48 49 CONECT 24 20 25 50 51 CONECT 25 24 26 30 CONECT 26 25 27 52 CONECT 27 26 28 53 CONECT 28 27 29 54 CONECT 29 28 30 55 CONECT 30 29 25 56 CONECT 31 22 57 58 59 CONECT 32 2 CONECT 33 5 CONECT 34 6 CONECT 35 6 CONECT 36 6 CONECT 37 10 CONECT 38 11 CONECT 39 11 CONECT 40 12 CONECT 41 12 CONECT 42 15 CONECT 43 16 CONECT 44 17 CONECT 45 19 CONECT 46 21 CONECT 47 21 CONECT 48 23 CONECT 49 23 CONECT 50 24 CONECT 51 24 CONECT 52 26 CONECT 53 27 CONECT 54 28 CONECT 55 29 CONECT 56 30 CONECT 57 31 CONECT 58 31 CONECT 59 31 MASTER 0 0 0 0 0 0 0 0 59 0 59 0 END M END $$$$