D0SB3H AUTHOR GENERATED BY OPEN BABEL 2.4.1 HETATM 1 C UNL 1 0.909 -0.007 -0.040 1.00 0.00 C HETATM 2 C UNL 1 -1.972 -4.779 1.412 1.00 0.00 C HETATM 3 C UNL 1 -1.252 -3.586 1.049 1.00 0.00 C HETATM 4 C UNL 1 -2.540 -2.879 1.532 1.00 0.00 C HETATM 5 C UNL 1 -2.088 -1.197 1.298 1.00 0.00 C HETATM 6 C UNL 1 -0.602 -0.025 0.787 1.00 0.00 C HETATM 7 O UNL 1 0.030 -3.338 1.297 1.00 0.00 O HETATM 8 C UNL 1 0.739 -4.481 1.838 1.00 0.00 C HETATM 9 C UNL 1 2.182 -4.076 2.033 1.00 0.00 C HETATM 10 N UNL 1 -4.003 -3.864 2.369 1.00 0.00 N HETATM 11 C UNL 1 -5.558 -5.096 2.559 1.00 0.00 C HETATM 12 C UNL 1 -6.388 -6.339 3.516 1.00 0.00 C HETATM 13 C UNL 1 -8.075 -7.120 3.476 1.00 0.00 C HETATM 14 C UNL 1 -8.591 -6.630 2.402 1.00 0.00 C HETATM 15 C UNL 1 -7.727 -5.643 1.626 1.00 0.00 C HETATM 16 N UNL 1 -6.484 -4.748 1.638 1.00 0.00 N HETATM 17 N UNL 1 -8.967 -8.665 4.043 1.00 0.00 N HETATM 18 C UNL 1 -9.451 -9.993 3.006 1.00 0.00 C HETATM 19 C UNL 1 -9.290 -9.824 1.647 1.00 0.00 C HETATM 20 C UNL 1 -8.527 -8.682 1.380 1.00 0.00 C HETATM 21 N UNL 1 -9.287 -7.528 1.567 1.00 0.00 N HETATM 22 O UNL 1 -7.315 -8.849 1.467 1.00 0.00 O HETATM 23 C UNL 1 -10.637 -8.657 4.496 1.00 0.00 C HETATM 24 C UNL 1 -10.107 -7.073 0.487 1.00 0.00 C HETATM 25 C UNL 1 2.616 -0.413 0.548 1.00 0.00 C HETATM 26 O UNL 1 2.908 -1.586 0.768 1.00 0.00 O HETATM 27 N UNL 1 3.973 0.671 0.502 1.00 0.00 N HETATM 28 C UNL 1 -10.484 -11.038 3.275 1.00 0.00 C HETATM 29 C UNL 1 -11.208 -11.633 2.170 1.00 0.00 C HETATM 30 C UNL 1 -10.533 -11.724 0.970 1.00 0.00 C HETATM 31 C UNL 1 -9.953 -10.525 0.630 1.00 0.00 C HETATM 32 C UNL 1 5.533 0.224 0.433 1.00 0.00 C HETATM 33 C UNL 1 6.823 1.448 0.573 1.00 0.00 C HETATM 34 C UNL 1 6.618 2.911 1.383 1.00 0.00 C HETATM 35 C UNL 1 5.026 3.017 1.067 1.00 0.00 C HETATM 36 C UNL 1 4.094 1.770 1.502 1.00 0.00 C HETATM 37 N UNL 1 7.396 4.273 0.914 1.00 0.00 N HETATM 38 C UNL 1 8.563 5.395 1.208 1.00 0.00 C HETATM 39 C UNL 1 8.949 6.186 -0.187 1.00 0.00 C HETATM 40 C UNL 1 8.077 5.356 -1.084 1.00 0.00 C HETATM 41 C UNL 1 7.277 4.227 -0.511 1.00 0.00 C HETATM 42 H UNL 1 -2.488 -5.634 1.672 1.00 0.00 H HETATM 43 H UNL 1 -3.001 -0.592 1.443 1.00 0.00 H HETATM 44 H UNL 1 -0.168 -1.101 0.937 1.00 0.00 H HETATM 45 H UNL 1 0.699 -5.362 1.178 1.00 0.00 H HETATM 46 H UNL 1 0.321 -4.754 2.817 1.00 0.00 H HETATM 47 H UNL 1 2.652 -3.928 1.056 1.00 0.00 H HETATM 48 H UNL 1 2.766 -4.822 2.578 1.00 0.00 H HETATM 49 H UNL 1 2.218 -3.131 2.584 1.00 0.00 H HETATM 50 H UNL 1 -4.662 -3.422 1.673 1.00 0.00 H HETATM 51 H UNL 1 -5.787 -6.959 4.277 1.00 0.00 H HETATM 52 H UNL 1 -7.565 -6.147 0.668 1.00 0.00 H HETATM 53 H UNL 1 -10.825 -9.534 5.205 1.00 0.00 H HETATM 54 H UNL 1 -11.387 -8.926 3.682 1.00 0.00 H HETATM 55 H UNL 1 -11.134 -7.836 5.024 1.00 0.00 H HETATM 56 H UNL 1 -11.103 -7.518 0.577 1.00 0.00 H HETATM 57 H UNL 1 -9.645 -7.397 -0.447 1.00 0.00 H HETATM 58 H UNL 1 -10.197 -5.988 0.521 1.00 0.00 H HETATM 59 H UNL 1 -10.884 -11.384 4.232 1.00 0.00 H HETATM 60 H UNL 1 -12.242 -11.238 2.013 1.00 0.00 H HETATM 61 H UNL 1 -9.734 -12.498 1.083 1.00 0.00 H HETATM 62 H UNL 1 -10.320 -9.962 -0.228 1.00 0.00 H HETATM 63 H UNL 1 5.734 -0.352 -0.484 1.00 0.00 H HETATM 64 H UNL 1 5.720 -0.447 1.281 1.00 0.00 H HETATM 65 H UNL 1 7.083 1.636 -0.474 1.00 0.00 H HETATM 66 H UNL 1 7.738 0.971 0.970 1.00 0.00 H HETATM 67 H UNL 1 6.783 2.769 2.461 1.00 0.00 H HETATM 68 H UNL 1 4.905 3.124 -0.019 1.00 0.00 H HETATM 69 H UNL 1 4.653 3.933 1.531 1.00 0.00 H HETATM 70 H UNL 1 3.120 2.057 1.877 1.00 0.00 H HETATM 71 H UNL 1 4.642 1.318 2.344 1.00 0.00 H HETATM 72 H UNL 1 9.542 5.058 1.599 1.00 0.00 H HETATM 73 H UNL 1 8.234 6.241 1.848 1.00 0.00 H HETATM 74 H UNL 1 9.974 6.131 -0.634 1.00 0.00 H HETATM 75 H UNL 1 8.648 7.244 -0.388 1.00 0.00 H HETATM 76 H UNL 1 7.267 6.011 -0.725 1.00 0.00 H HETATM 77 H UNL 1 8.925 4.657 -1.010 1.00 0.00 H HETATM 78 H UNL 1 7.690 3.306 -0.909 1.00 0.00 H HETATM 79 H UNL 1 6.242 4.336 -0.824 1.00 0.00 H CONECT 1 2 6 25 CONECT 2 1 3 42 CONECT 3 2 4 7 CONECT 4 3 5 10 CONECT 5 4 6 43 CONECT 6 5 1 44 CONECT 7 3 8 CONECT 8 7 9 45 46 CONECT 9 8 47 48 49 CONECT 10 4 11 50 CONECT 11 10 12 16 CONECT 12 11 13 51 CONECT 13 12 14 17 CONECT 14 13 15 21 CONECT 15 14 16 52 CONECT 16 15 11 CONECT 17 13 18 23 CONECT 18 17 19 28 CONECT 19 18 20 31 CONECT 20 19 21 22 CONECT 21 20 14 24 CONECT 22 20 CONECT 23 17 53 54 55 CONECT 24 21 56 57 58 CONECT 25 1 26 27 CONECT 26 25 CONECT 27 25 32 36 CONECT 28 18 29 59 CONECT 29 28 30 60 CONECT 30 29 31 61 CONECT 31 30 19 62 CONECT 32 27 33 63 64 CONECT 33 32 34 65 66 CONECT 34 33 35 37 67 CONECT 35 34 36 68 69 CONECT 36 35 27 70 71 CONECT 37 34 38 41 CONECT 38 37 39 72 73 CONECT 39 38 40 74 75 CONECT 40 39 41 76 77 CONECT 41 40 37 78 79 CONECT 42 2 CONECT 43 5 CONECT 44 6 CONECT 45 8 CONECT 46 8 CONECT 47 9 CONECT 48 9 CONECT 49 9 CONECT 50 10 CONECT 51 12 CONECT 52 15 CONECT 53 23 CONECT 54 23 CONECT 55 23 CONECT 56 24 CONECT 57 24 CONECT 58 24 CONECT 59 28 CONECT 60 29 CONECT 61 30 CONECT 62 31 CONECT 63 32 CONECT 64 32 CONECT 65 33 CONECT 66 33 CONECT 67 34 CONECT 68 35 CONECT 69 35 CONECT 70 36 CONECT 71 36 CONECT 72 38 CONECT 73 38 CONECT 74 39 CONECT 75 39 CONECT 76 40 CONECT 77 40 CONECT 78 41 CONECT 79 41 MASTER 0 0 0 0 0 0 0 0 79 0 79 0 END M END $$$$