D0I2RS AUTHOR GENERATED BY OPEN BABEL 2.4.1 HETATM 1 C UNL 1 -4.316 -4.742 -1.681 1.00 0.00 C HETATM 2 C UNL 1 -3.038 -4.656 -2.374 1.00 0.00 C HETATM 3 O UNL 1 -2.417 -5.686 -2.648 1.00 0.00 O HETATM 4 N UNL 1 -2.558 -3.371 -2.536 1.00 0.00 N HETATM 5 C UNL 1 -1.117 -3.110 -2.539 1.00 0.00 C HETATM 6 C UNL 1 -0.579 -2.646 -3.904 1.00 0.00 C HETATM 7 C UNL 1 -0.664 -1.184 -4.443 1.00 0.00 C HETATM 8 C UNL 1 -0.543 -2.325 -1.307 1.00 0.00 C HETATM 9 N UNL 1 -1.342 -2.269 -0.185 1.00 0.00 N HETATM 10 O UNL 1 0.606 -1.887 -1.293 1.00 0.00 O HETATM 11 C UNL 1 -0.966 -1.590 1.083 1.00 0.00 C HETATM 12 C UNL 1 -2.097 -0.512 1.393 1.00 0.00 C HETATM 13 C UNL 1 -2.531 0.445 0.244 1.00 0.00 C HETATM 14 C UNL 1 -1.850 0.249 2.702 1.00 0.00 C HETATM 15 C UNL 1 -1.659 1.650 -0.077 1.00 0.00 C HETATM 16 C UNL 1 -0.997 -2.708 2.193 1.00 0.00 C HETATM 17 N UNL 1 0.151 -3.340 2.750 1.00 0.00 N HETATM 18 O UNL 1 -2.130 -3.086 2.589 1.00 0.00 O HETATM 19 C UNL 1 1.486 -3.322 2.137 1.00 0.00 C HETATM 20 C UNL 1 2.591 -4.088 2.910 1.00 0.00 C HETATM 21 C UNL 1 2.152 -5.484 3.425 1.00 0.00 C HETATM 22 C UNL 1 0.970 -5.222 4.352 1.00 0.00 C HETATM 23 C UNL 1 -0.165 -4.450 3.669 1.00 0.00 C HETATM 24 C UNL 1 3.319 -6.260 4.057 1.00 0.00 C HETATM 25 C UNL 1 3.383 -6.761 5.366 1.00 0.00 C HETATM 26 C UNL 1 4.506 -7.488 5.814 1.00 0.00 C HETATM 27 C UNL 1 5.660 -7.535 5.047 1.00 0.00 C HETATM 28 C UNL 1 5.647 -6.871 3.839 1.00 0.00 C HETATM 29 C UNL 1 4.430 -6.527 3.260 1.00 0.00 C HETATM 30 C UNL 1 -5.010 -5.803 -1.129 1.00 0.00 C HETATM 31 C UNL 1 -5.969 -5.174 -0.316 1.00 0.00 C HETATM 32 N UNL 1 -5.982 -3.850 -0.487 1.00 0.00 N HETATM 33 O UNL 1 -4.949 -3.586 -1.361 1.00 0.00 O HETATM 34 C UNL 1 -2.009 -0.698 -5.039 1.00 0.00 C HETATM 35 C UNL 1 -1.899 0.664 -5.782 1.00 0.00 C HETATM 36 C UNL 1 -0.718 0.764 -6.751 1.00 0.00 C HETATM 37 C UNL 1 0.564 0.336 -6.062 1.00 0.00 C HETATM 38 C UNL 1 0.402 -1.089 -5.565 1.00 0.00 C HETATM 39 H UNL 1 -3.172 -2.617 -2.259 1.00 0.00 H HETATM 40 H UNL 1 -0.651 -4.096 -2.392 1.00 0.00 H HETATM 41 H UNL 1 -0.942 -3.328 -4.688 1.00 0.00 H HETATM 42 H UNL 1 0.499 -2.849 -3.825 1.00 0.00 H HETATM 43 H UNL 1 -0.384 -0.497 -3.635 1.00 0.00 H HETATM 44 H UNL 1 -2.239 -2.738 -0.186 1.00 0.00 H HETATM 45 H UNL 1 0.017 -1.116 1.001 1.00 0.00 H HETATM 46 H UNL 1 -3.017 -1.091 1.566 1.00 0.00 H HETATM 47 H UNL 1 -2.698 -0.124 -0.676 1.00 0.00 H HETATM 48 H UNL 1 -3.523 0.846 0.508 1.00 0.00 H HETATM 49 H UNL 1 -0.794 0.489 2.848 1.00 0.00 H HETATM 50 H UNL 1 -2.183 -0.355 3.554 1.00 0.00 H HETATM 51 H UNL 1 -2.425 1.182 2.742 1.00 0.00 H HETATM 52 H UNL 1 -0.611 1.379 -0.215 1.00 0.00 H HETATM 53 H UNL 1 -1.734 2.420 0.698 1.00 0.00 H HETATM 54 H UNL 1 -2.014 2.114 -1.008 1.00 0.00 H HETATM 55 H UNL 1 1.791 -2.275 2.036 1.00 0.00 H HETATM 56 H UNL 1 1.398 -3.733 1.127 1.00 0.00 H HETATM 57 H UNL 1 2.912 -3.483 3.770 1.00 0.00 H HETATM 58 H UNL 1 3.471 -4.171 2.260 1.00 0.00 H HETATM 59 H UNL 1 1.806 -6.089 2.577 1.00 0.00 H HETATM 60 H UNL 1 1.306 -4.664 5.236 1.00 0.00 H HETATM 61 H UNL 1 0.566 -6.173 4.726 1.00 0.00 H HETATM 62 H UNL 1 -0.787 -5.165 3.117 1.00 0.00 H HETATM 63 H UNL 1 -0.796 -4.029 4.464 1.00 0.00 H HETATM 64 H UNL 1 2.555 -6.648 6.058 1.00 0.00 H HETATM 65 H UNL 1 4.518 -7.948 6.798 1.00 0.00 H HETATM 66 H UNL 1 6.579 -7.985 5.413 1.00 0.00 H HETATM 67 H UNL 1 6.498 -6.204 3.655 1.00 0.00 H HETATM 68 H UNL 1 4.294 -6.678 2.189 1.00 0.00 H HETATM 69 H UNL 1 -4.769 -6.855 -1.196 1.00 0.00 H HETATM 70 H UNL 1 -6.639 -5.612 0.409 1.00 0.00 H HETATM 71 H UNL 1 -2.760 -0.594 -4.247 1.00 0.00 H HETATM 72 H UNL 1 -2.395 -1.439 -5.749 1.00 0.00 H HETATM 73 H UNL 1 -2.824 0.865 -6.337 1.00 0.00 H HETATM 74 H UNL 1 -1.800 1.469 -5.043 1.00 0.00 H HETATM 75 H UNL 1 -0.611 1.789 -7.126 1.00 0.00 H HETATM 76 H UNL 1 -0.896 0.128 -7.628 1.00 0.00 H HETATM 77 H UNL 1 0.784 1.003 -5.220 1.00 0.00 H HETATM 78 H UNL 1 1.411 0.397 -6.755 1.00 0.00 H HETATM 79 H UNL 1 1.372 -1.454 -5.214 1.00 0.00 H HETATM 80 H UNL 1 0.105 -1.736 -6.404 1.00 0.00 H CONECT 1 2 30 33 CONECT 2 1 3 4 CONECT 3 2 CONECT 4 2 5 39 CONECT 5 4 6 8 40 CONECT 6 5 7 41 42 CONECT 7 6 34 38 43 CONECT 8 5 9 10 CONECT 9 8 11 44 CONECT 10 8 CONECT 11 9 16 12 45 CONECT 12 14 13 11 46 CONECT 13 15 12 47 48 CONECT 14 12 49 50 51 CONECT 15 13 52 53 54 CONECT 16 11 17 18 CONECT 17 16 19 23 CONECT 18 16 CONECT 19 17 20 55 56 CONECT 20 19 21 57 58 CONECT 21 20 22 24 59 CONECT 22 21 23 60 61 CONECT 23 22 17 62 63 CONECT 24 21 25 29 CONECT 25 24 26 64 CONECT 26 25 27 65 CONECT 27 26 28 66 CONECT 28 27 29 67 CONECT 29 28 24 68 CONECT 30 1 31 69 CONECT 31 30 32 70 CONECT 32 31 33 CONECT 33 32 1 CONECT 34 7 35 71 72 CONECT 35 34 36 73 74 CONECT 36 35 37 75 76 CONECT 37 36 38 77 78 CONECT 38 37 7 79 80 CONECT 39 4 CONECT 40 5 CONECT 41 6 CONECT 42 6 CONECT 43 7 CONECT 44 9 CONECT 45 11 CONECT 46 12 CONECT 47 13 CONECT 48 13 CONECT 49 14 CONECT 50 14 CONECT 51 14 CONECT 52 15 CONECT 53 15 CONECT 54 15 CONECT 55 19 CONECT 56 19 CONECT 57 20 CONECT 58 20 CONECT 59 21 CONECT 60 22 CONECT 61 22 CONECT 62 23 CONECT 63 23 CONECT 64 25 CONECT 65 26 CONECT 66 27 CONECT 67 28 CONECT 68 29 CONECT 69 30 CONECT 70 31 CONECT 71 34 CONECT 72 34 CONECT 73 35 CONECT 74 35 CONECT 75 36 CONECT 76 36 CONECT 77 37 CONECT 78 37 CONECT 79 38 CONECT 80 38 MASTER 0 0 0 0 0 0 0 0 80 0 80 0 END M END $$$$