COMPND UNNAMED AUTHOR GENERATED BY OPEN BABEL 3.0.0 HETATM 1 C UNL 1 0.248 -0.380 -0.098 1.00 0.00 C HETATM 2 N UNL 1 -0.283 -2.580 -0.972 1.00 0.00 N HETATM 3 O UNL 1 -0.315 0.040 -1.087 1.00 0.00 O HETATM 4 S UNL 1 -1.638 -3.490 -0.690 1.00 0.00 S HETATM 5 C UNL 1 -3.727 -1.827 -1.123 1.00 0.00 C HETATM 6 N UNL 1 0.769 0.483 0.797 1.00 0.00 N HETATM 7 O UNL 1 -1.303 1.736 1.872 1.00 0.00 O HETATM 8 C UNL 1 -2.913 -2.385 -0.185 1.00 0.00 C HETATM 9 N UNL 1 -1.153 3.606 0.688 1.00 0.00 N HETATM 10 C UNL 1 -3.075 -2.095 1.169 1.00 0.00 C HETATM 11 C UNL 1 -4.050 -1.247 1.592 1.00 0.00 C HETATM 12 C UNL 1 -5.928 0.231 1.052 1.00 0.00 C HETATM 13 C UNL 1 -6.742 0.789 0.114 1.00 0.00 C HETATM 14 C UNL 1 -6.580 0.500 -1.239 1.00 0.00 C HETATM 15 C UNL 1 -5.601 -0.345 -1.663 1.00 0.00 C HETATM 16 C UNL 1 -4.746 -0.945 -0.724 1.00 0.00 C HETATM 17 C UNL 1 0.362 -1.865 0.131 1.00 0.00 C HETATM 18 C UNL 1 1.838 -2.259 0.201 1.00 0.00 C HETATM 19 C UNL 1 3.405 -4.112 0.711 1.00 0.00 C HETATM 20 C UNL 1 6.847 1.132 -0.984 1.00 0.00 C HETATM 21 C UNL 1 1.954 -3.749 0.528 1.00 0.00 C HETATM 22 C UNL 1 5.546 1.521 -0.393 1.00 0.00 C HETATM 23 C UNL 1 -4.910 -0.651 0.653 1.00 0.00 C HETATM 24 O UNL 1 -2.037 -4.017 -1.948 1.00 0.00 O HETATM 25 C UNL 1 -0.669 2.415 1.092 1.00 0.00 C HETATM 26 C UNL 1 -2.386 4.150 1.272 1.00 0.00 C HETATM 27 O UNL 1 -1.345 -4.306 0.436 1.00 0.00 O HETATM 28 C UNL 1 -3.357 4.499 0.140 1.00 0.00 C HETATM 29 C UNL 1 -2.664 5.437 -0.851 1.00 0.00 C HETATM 30 C UNL 1 -1.447 4.733 -1.457 1.00 0.00 C HETATM 31 C UNL 1 -0.455 4.387 -0.342 1.00 0.00 C HETATM 32 C UNL 1 0.659 1.926 0.574 1.00 0.00 C HETATM 33 C UNL 1 1.790 2.644 1.313 1.00 0.00 C HETATM 34 C UNL 1 3.642 2.982 -0.336 1.00 0.00 C HETATM 35 C UNL 1 3.793 1.149 1.205 1.00 0.00 C HETATM 36 C UNL 1 4.854 2.625 -0.890 1.00 0.00 C HETATM 37 O UNL 1 4.259 -3.266 0.593 1.00 0.00 O HETATM 38 C UNL 1 5.006 0.781 0.658 1.00 0.00 C HETATM 39 C UNL 1 3.114 2.248 0.711 1.00 0.00 C HETATM 40 N UNL 1 7.347 1.821 -1.969 1.00 0.00 N HETATM 41 N UNL 1 7.529 0.041 -0.491 1.00 0.00 N HETATM 42 H UNL 1 0.083 -2.521 -1.869 1.00 0.00 H HETATM 43 H UNL 1 -3.587 -2.057 -2.169 1.00 0.00 H HETATM 44 H UNL 1 1.216 0.147 1.590 1.00 0.00 H HETATM 45 H UNL 1 -2.416 -2.552 1.892 1.00 0.00 H HETATM 46 H UNL 1 -4.164 -1.032 2.645 1.00 0.00 H HETATM 47 H UNL 1 -6.065 0.465 2.098 1.00 0.00 H HETATM 48 H UNL 1 -7.524 1.466 0.424 1.00 0.00 H HETATM 49 H UNL 1 -7.239 0.956 -1.963 1.00 0.00 H HETATM 50 H UNL 1 -5.488 -0.561 -2.716 1.00 0.00 H HETATM 51 H UNL 1 -0.129 -2.126 1.069 1.00 0.00 H HETATM 52 H UNL 1 2.313 -2.060 -0.760 1.00 0.00 H HETATM 53 H UNL 1 2.333 -1.677 0.978 1.00 0.00 H HETATM 54 O UNL 1 3.748 -5.376 1.006 1.00 0.00 O HETATM 55 H UNL 1 1.406 -3.963 1.446 1.00 0.00 H HETATM 56 H UNL 1 1.533 -4.334 -0.290 1.00 0.00 H HETATM 57 H UNL 1 -2.840 3.406 1.926 1.00 0.00 H HETATM 58 H UNL 1 -2.154 5.049 1.844 1.00 0.00 H HETATM 59 H UNL 1 -3.659 3.587 -0.374 1.00 0.00 H HETATM 60 H UNL 1 -4.237 4.992 0.553 1.00 0.00 H HETATM 61 H UNL 1 -3.360 5.707 -1.645 1.00 0.00 H HETATM 62 H UNL 1 -2.340 6.339 -0.331 1.00 0.00 H HETATM 63 H UNL 1 -1.767 3.819 -1.956 1.00 0.00 H HETATM 64 H UNL 1 -0.968 5.393 -2.180 1.00 0.00 H HETATM 65 H UNL 1 -0.069 5.307 0.097 1.00 0.00 H HETATM 66 H UNL 1 0.369 3.801 -0.750 1.00 0.00 H HETATM 67 H UNL 1 0.732 2.135 -0.493 1.00 0.00 H HETATM 68 H UNL 1 1.657 3.722 1.221 1.00 0.00 H HETATM 69 H UNL 1 1.771 2.364 2.366 1.00 0.00 H HETATM 70 H UNL 1 3.105 3.837 -0.719 1.00 0.00 H HETATM 71 H UNL 1 3.374 0.577 2.019 1.00 0.00 H HETATM 72 H UNL 1 5.266 3.199 -1.707 1.00 0.00 H HETATM 73 H UNL 1 5.535 -0.078 1.044 1.00 0.00 H HETATM 74 H UNL 1 6.867 2.590 -2.316 1.00 0.00 H HETATM 75 H UNL 1 8.382 -0.214 -0.878 1.00 0.00 H HETATM 76 H UNL 1 7.157 -0.472 0.243 1.00 0.00 H HETATM 77 H UNL 1 4.691 -5.561 1.115 1.00 0.00 H CONECT 1 17 3 3 6 CONECT 2 4 42 17 CONECT 3 1 1 CONECT 4 2 8 27 27 CONECT 4 24 24 CONECT 5 16 43 8 8 CONECT 6 1 44 32 CONECT 7 25 25 CONECT 8 4 5 5 10 CONECT 9 31 25 26 CONECT 10 8 11 11 45 CONECT 11 10 10 23 46 CONECT 12 13 47 23 23 CONECT 13 12 14 14 48 CONECT 14 13 13 49 15 CONECT 15 14 50 16 16 CONECT 16 5 15 15 23 CONECT 17 1 2 51 18 CONECT 18 17 52 53 21 CONECT 19 21 37 37 54 CONECT 20 40 40 41 22 CONECT 21 19 18 55 56 CONECT 22 20 36 36 38 CONECT 23 11 12 12 16 CONECT 24 4 4 CONECT 25 7 7 9 32 CONECT 26 9 28 57 58 CONECT 27 4 4 CONECT 28 26 29 59 60 CONECT 29 28 30 61 62 CONECT 30 29 63 64 31 CONECT 31 9 30 65 66 CONECT 32 25 6 67 33 CONECT 33 32 39 68 69 CONECT 34 36 70 39 39 CONECT 35 38 38 71 39 CONECT 36 34 22 22 72 CONECT 37 19 19 CONECT 38 35 35 22 73 CONECT 39 33 34 34 35 CONECT 40 20 20 74 CONECT 41 20 75 76 CONECT 42 2 CONECT 43 5 CONECT 44 6 CONECT 45 10 CONECT 46 11 CONECT 47 12 CONECT 48 13 CONECT 49 14 CONECT 50 15 CONECT 51 17 CONECT 52 18 CONECT 53 18 CONECT 54 19 77 CONECT 55 21 CONECT 56 21 CONECT 57 26 CONECT 58 26 CONECT 59 28 CONECT 60 28 CONECT 61 29 CONECT 62 29 CONECT 63 30 CONECT 64 30 CONECT 65 31 CONECT 66 31 CONECT 67 32 CONECT 68 33 CONECT 69 33 CONECT 70 34 CONECT 71 35 CONECT 72 36 CONECT 73 38 CONECT 74 40 CONECT 75 41 CONECT 76 41 CONECT 77 54 MASTER 0 0 0 0 0 0 0 0 77 0 77 0 END