D0JC8E AUTHOR GENERATED BY OPEN BABEL 2.4.1 HETATM 1 N UNL 1 7.026 3.766 0.608 1.00 0.00 N HETATM 2 C UNL 1 7.630 4.168 -0.523 1.00 0.00 C HETATM 3 N UNL 1 7.408 3.471 -1.644 1.00 0.00 N HETATM 4 C UNL 1 6.649 2.303 -1.578 1.00 0.00 C HETATM 5 C UNL 1 6.189 1.616 -0.412 1.00 0.00 C HETATM 6 C UNL 1 6.273 2.578 0.610 1.00 0.00 C HETATM 7 C UNL 1 6.133 1.770 -2.822 1.00 0.00 C HETATM 8 C UNL 1 5.407 0.603 -2.957 1.00 0.00 C HETATM 9 C UNL 1 5.279 -0.289 -1.857 1.00 0.00 C HETATM 10 C UNL 1 5.214 0.207 -0.310 1.00 0.00 C HETATM 11 O UNL 1 6.155 2.415 -4.031 1.00 0.00 O HETATM 12 N UNL 1 5.471 1.622 -4.990 1.00 0.00 N HETATM 13 C UNL 1 5.051 0.515 -4.343 1.00 0.00 C HETATM 14 C UNL 1 4.349 -0.641 -5.040 1.00 0.00 C HETATM 15 N UNL 1 3.924 -0.453 -6.315 1.00 0.00 N HETATM 16 O UNL 1 4.178 -1.720 -4.445 1.00 0.00 O HETATM 17 N UNL 1 8.484 5.327 -0.307 1.00 0.00 N HETATM 18 C UNL 1 9.269 6.322 -0.982 1.00 0.00 C HETATM 19 C UNL 1 9.317 6.567 -2.360 1.00 0.00 C HETATM 20 C UNL 1 10.138 7.614 -2.959 1.00 0.00 C HETATM 21 C UNL 1 11.003 8.460 -2.236 1.00 0.00 C HETATM 22 C UNL 1 10.984 8.183 -0.848 1.00 0.00 C HETATM 23 C UNL 1 10.156 7.153 -0.245 1.00 0.00 C HETATM 24 C UNL 1 11.897 9.623 -2.816 1.00 0.00 C HETATM 25 N UNL 1 12.004 9.904 -4.204 1.00 0.00 N HETATM 26 O UNL 1 12.535 10.327 -1.999 1.00 0.00 O HETATM 27 C UNL 1 12.889 11.005 -4.815 1.00 0.00 C HETATM 28 C UNL 1 12.417 11.571 -6.192 1.00 0.00 C HETATM 29 C UNL 1 13.396 12.612 -6.845 1.00 0.00 C HETATM 30 N UNL 1 14.822 12.252 -6.797 1.00 0.00 N HETATM 31 C UNL 1 15.208 11.769 -5.467 1.00 0.00 C HETATM 32 C UNL 1 14.342 10.563 -5.054 1.00 0.00 C HETATM 33 C UNL 1 15.690 13.366 -7.223 1.00 0.00 C HETATM 34 C UNL 1 5.516 0.007 1.260 1.00 0.00 C HETATM 35 C UNL 1 5.254 -1.572 -0.129 1.00 0.00 C HETATM 36 C UNL 1 3.258 -1.495 -7.188 1.00 0.00 C HETATM 37 C UNL 1 1.752 -1.697 -6.786 1.00 0.00 C HETATM 38 N UNL 1 0.984 -0.447 -6.686 1.00 0.00 N HETATM 39 C UNL 1 3.398 -1.225 -8.698 1.00 0.00 C HETATM 40 C UNL 1 2.959 -2.127 -9.692 1.00 0.00 C HETATM 41 C UNL 1 3.230 -1.891 -11.055 1.00 0.00 C HETATM 42 C UNL 1 3.732 -0.669 -11.459 1.00 0.00 C HETATM 43 C UNL 1 3.876 0.305 -10.495 1.00 0.00 C HETATM 44 C UNL 1 3.990 -0.054 -9.159 1.00 0.00 C HETATM 45 H UNL 1 5.726 2.529 1.539 1.00 0.00 H HETATM 46 H UNL 1 4.344 -0.824 -2.073 1.00 0.00 H HETATM 47 H UNL 1 6.172 -0.943 -1.991 1.00 0.00 H HETATM 48 H UNL 1 3.950 0.505 -6.674 1.00 0.00 H HETATM 49 H UNL 1 8.367 5.533 0.670 1.00 0.00 H HETATM 50 H UNL 1 8.684 5.974 -3.005 1.00 0.00 H HETATM 51 H UNL 1 10.071 7.735 -4.056 1.00 0.00 H HETATM 52 H UNL 1 11.632 8.769 -0.181 1.00 0.00 H HETATM 53 H UNL 1 10.237 7.028 0.841 1.00 0.00 H HETATM 54 H UNL 1 11.607 9.233 -4.856 1.00 0.00 H HETATM 55 H UNL 1 12.891 11.836 -4.093 1.00 0.00 H HETATM 56 H UNL 1 11.433 12.049 -6.096 1.00 0.00 H HETATM 57 H UNL 1 12.293 10.742 -6.904 1.00 0.00 H HETATM 58 H UNL 1 13.235 13.595 -6.384 1.00 0.00 H HETATM 59 H UNL 1 13.121 12.724 -7.906 1.00 0.00 H HETATM 60 H UNL 1 15.131 12.574 -4.724 1.00 0.00 H HETATM 61 H UNL 1 16.260 11.453 -5.493 1.00 0.00 H HETATM 62 H UNL 1 14.764 10.085 -4.173 1.00 0.00 H HETATM 63 H UNL 1 14.372 9.817 -5.867 1.00 0.00 H HETATM 64 H UNL 1 15.550 13.594 -8.287 1.00 0.00 H HETATM 65 H UNL 1 16.752 13.109 -7.108 1.00 0.00 H HETATM 66 H UNL 1 15.515 14.286 -6.651 1.00 0.00 H HETATM 67 H UNL 1 5.188 0.841 1.877 1.00 0.00 H HETATM 68 H UNL 1 6.585 -0.185 1.450 1.00 0.00 H HETATM 69 H UNL 1 4.943 -0.747 1.820 1.00 0.00 H HETATM 70 H UNL 1 4.923 -2.201 -0.979 1.00 0.00 H HETATM 71 H UNL 1 4.469 -1.923 0.564 1.00 0.00 H HETATM 72 H UNL 1 6.252 -1.951 0.135 1.00 0.00 H HETATM 73 H UNL 1 3.777 -2.440 -6.995 1.00 0.00 H HETATM 74 H UNL 1 1.713 -2.192 -5.809 1.00 0.00 H HETATM 75 H UNL 1 1.235 -2.361 -7.490 1.00 0.00 H HETATM 76 H UNL 1 1.510 0.211 -6.116 1.00 0.00 H HETATM 77 H UNL 1 0.113 -0.630 -6.187 1.00 0.00 H HETATM 78 H UNL 1 2.448 -3.052 -9.434 1.00 0.00 H HETATM 79 H UNL 1 2.996 -2.636 -11.813 1.00 0.00 H HETATM 80 H UNL 1 3.926 -0.434 -12.502 1.00 0.00 H HETATM 81 H UNL 1 3.389 1.274 -10.707 1.00 0.00 H HETATM 82 H UNL 1 4.584 0.588 -8.513 1.00 0.00 H CONECT 1 2 6 CONECT 2 1 3 17 CONECT 3 2 4 CONECT 4 3 5 7 CONECT 5 4 6 10 CONECT 6 5 1 45 CONECT 7 4 8 11 CONECT 8 7 9 13 CONECT 9 8 10 46 47 CONECT 10 9 5 34 35 CONECT 11 7 12 CONECT 12 11 13 CONECT 13 12 8 14 CONECT 14 13 15 16 CONECT 15 14 36 48 CONECT 16 14 CONECT 17 2 18 49 CONECT 18 17 19 23 CONECT 19 18 20 50 CONECT 20 19 21 51 CONECT 21 20 22 24 CONECT 22 21 23 52 CONECT 23 22 18 53 CONECT 24 21 25 26 CONECT 25 24 27 54 CONECT 26 24 CONECT 27 25 28 32 55 CONECT 28 27 29 56 57 CONECT 29 28 30 58 59 CONECT 30 29 31 33 CONECT 31 30 32 60 61 CONECT 32 31 27 62 63 CONECT 33 30 64 65 66 CONECT 34 10 67 68 69 CONECT 35 10 70 71 72 CONECT 36 15 37 39 73 CONECT 37 36 38 74 75 CONECT 38 37 76 77 CONECT 39 36 40 44 CONECT 40 39 41 78 CONECT 41 40 42 79 CONECT 42 41 43 80 CONECT 43 42 44 81 CONECT 44 43 39 82 CONECT 45 6 CONECT 46 9 CONECT 47 9 CONECT 48 15 CONECT 49 17 CONECT 50 19 CONECT 51 20 CONECT 52 22 CONECT 53 23 CONECT 54 25 CONECT 55 27 CONECT 56 28 CONECT 57 28 CONECT 58 29 CONECT 59 29 CONECT 60 31 CONECT 61 31 CONECT 62 32 CONECT 63 32 CONECT 64 33 CONECT 65 33 CONECT 66 33 CONECT 67 34 CONECT 68 34 CONECT 69 34 CONECT 70 35 CONECT 71 35 CONECT 72 35 CONECT 73 36 CONECT 74 37 CONECT 75 37 CONECT 76 38 CONECT 77 38 CONECT 78 40 CONECT 79 41 CONECT 80 42 CONECT 81 43 CONECT 82 44 MASTER 0 0 0 0 0 0 0 0 82 0 82 0 END M END $$$$