COMPND UNNAMED AUTHOR GENERATED BY OPEN BABEL 3.0.0 HETATM 1 C UNL 1 -1.373 -1.332 0.317 1.00 0.00 C HETATM 2 C UNL 1 1.033 -0.949 0.285 1.00 0.00 C HETATM 3 C UNL 1 1.649 -2.331 0.513 1.00 0.00 C HETATM 4 C UNL 1 0.768 -3.130 1.476 1.00 0.00 C HETATM 5 C UNL 1 1.315 -4.553 1.607 1.00 0.00 C HETATM 6 C UNL 1 0.771 -2.454 2.849 1.00 0.00 C HETATM 7 C UNL 1 1.962 -0.120 -0.564 1.00 0.00 C HETATM 8 C UNL 1 4.113 0.953 -0.961 1.00 0.00 C HETATM 9 C UNL 1 5.170 1.609 -0.070 1.00 0.00 C HETATM 10 C UNL 1 4.497 2.623 0.858 1.00 0.00 C HETATM 11 C UNL 1 5.524 3.291 1.746 1.00 0.00 C HETATM 12 C UNL 1 4.148 4.993 0.968 1.00 0.00 C HETATM 13 C UNL 1 3.889 3.786 0.040 1.00 0.00 C HETATM 14 C UNL 1 4.800 0.055 -1.991 1.00 0.00 C HETATM 15 C UNL 1 -3.699 -1.830 0.507 1.00 0.00 C HETATM 16 N UNL 1 -0.255 -1.095 -0.397 1.00 0.00 N HETATM 17 N UNL 1 3.211 0.147 -0.135 1.00 0.00 N HETATM 18 N UNL 1 5.309 4.617 1.785 1.00 0.00 N HETATM 19 O UNL 1 -1.312 -1.426 1.527 1.00 0.00 O HETATM 20 O UNL 1 6.412 2.713 2.337 1.00 0.00 O HETATM 21 O UNL 1 5.765 0.818 -2.719 1.00 0.00 O HETATM 22 O UNL 1 1.584 0.308 -1.635 1.00 0.00 O HETATM 23 O UNL 1 -2.557 -1.461 -0.310 1.00 0.00 O HETATM 24 H UNL 1 0.882 -0.456 1.246 1.00 0.00 H HETATM 25 H UNL 1 1.718 -2.859 -0.438 1.00 0.00 H HETATM 26 H UNL 1 2.646 -2.219 0.940 1.00 0.00 H HETATM 27 H UNL 1 -0.251 -3.166 1.091 1.00 0.00 H HETATM 28 H UNL 1 2.334 -4.517 1.991 1.00 0.00 H HETATM 29 H UNL 1 0.687 -5.121 2.293 1.00 0.00 H HETATM 30 H UNL 1 1.312 -5.034 0.628 1.00 0.00 H HETATM 31 H UNL 1 1.791 -2.418 3.234 1.00 0.00 H HETATM 32 H UNL 1 0.382 -1.440 2.756 1.00 0.00 H HETATM 33 H UNL 1 0.144 -3.023 3.535 1.00 0.00 H HETATM 34 H UNL 1 3.541 1.726 -1.475 1.00 0.00 H HETATM 35 H UNL 1 5.668 0.845 0.526 1.00 0.00 H HETATM 36 H UNL 1 5.904 2.119 -0.693 1.00 0.00 H HETATM 37 H UNL 1 3.729 2.136 1.459 1.00 0.00 H HETATM 38 H UNL 1 4.375 5.881 0.378 1.00 0.00 H HETATM 39 H UNL 1 3.282 5.174 1.605 1.00 0.00 H HETATM 40 H UNL 1 4.408 3.906 -0.911 1.00 0.00 H HETATM 41 H UNL 1 2.821 3.636 -0.116 1.00 0.00 H HETATM 42 H UNL 1 4.056 -0.342 -2.681 1.00 0.00 H HETATM 43 H UNL 1 -0.303 -1.020 -1.363 1.00 0.00 H HETATM 44 H UNL 1 3.513 -0.195 0.721 1.00 0.00 H HETATM 45 H UNL 1 5.850 5.245 2.288 1.00 0.00 H HETATM 46 H UNL 1 6.460 1.203 -2.168 1.00 0.00 H HETATM 47 S UNL 1 5.630 -1.316 -1.141 1.00 0.00 S HETATM 48 O UNL 1 6.659 -0.827 -0.293 1.00 0.00 O HETATM 49 O UNL 1 4.677 -2.259 -0.669 1.00 0.00 O HETATM 50 O UNL 1 6.372 -2.054 -2.246 1.00 0.00 O HETATM 51 H UNL 1 6.870 -2.824 -1.938 1.00 0.00 H HETATM 52 C UNL 1 -3.946 -0.746 1.559 1.00 0.00 C HETATM 53 C UNL 1 -4.194 0.593 0.857 1.00 0.00 C HETATM 54 N UNL 1 -5.291 0.426 -0.106 1.00 0.00 N HETATM 55 C UNL 1 -5.196 -0.647 -1.105 1.00 0.00 C HETATM 56 C UNL 1 -4.937 -1.973 -0.381 1.00 0.00 C HETATM 57 C UNL 1 -3.417 -3.162 1.205 1.00 0.00 C HETATM 58 H UNL 1 -4.818 -1.011 2.157 1.00 0.00 H HETATM 59 H UNL 1 -3.072 -0.661 2.206 1.00 0.00 H HETATM 60 H UNL 1 -4.467 1.347 1.595 1.00 0.00 H HETATM 61 H UNL 1 -3.290 0.903 0.332 1.00 0.00 H HETATM 62 C UNL 1 -6.363 1.242 -0.074 1.00 0.00 C HETATM 63 H UNL 1 -6.131 -0.712 -1.661 1.00 0.00 H HETATM 64 H UNL 1 -4.375 -0.438 -1.790 1.00 0.00 H HETATM 65 H UNL 1 -4.769 -2.761 -1.115 1.00 0.00 H HETATM 66 H UNL 1 -5.800 -2.226 0.235 1.00 0.00 H HETATM 67 C UNL 1 -3.119 -4.235 0.155 1.00 0.00 C HETATM 68 O UNL 1 -6.429 2.126 0.757 1.00 0.00 O HETATM 69 O UNL 1 -7.361 1.077 -0.963 1.00 0.00 O HETATM 70 C UNL 1 -8.484 1.992 -0.869 1.00 0.00 C HETATM 71 C UNL 1 -7.991 3.427 -1.065 1.00 0.00 C HETATM 72 C UNL 1 -9.510 1.653 -1.952 1.00 0.00 C HETATM 73 C UNL 1 -9.136 1.861 0.509 1.00 0.00 C HETATM 74 H UNL 1 -2.556 -3.051 1.865 1.00 0.00 H HETATM 75 H UNL 1 -4.287 -3.458 1.790 1.00 0.00 H HETATM 76 H UNL 1 -2.965 -5.194 0.649 1.00 0.00 H HETATM 77 H UNL 1 -3.960 -4.312 -0.534 1.00 0.00 H HETATM 78 H UNL 1 -2.220 -3.963 -0.398 1.00 0.00 H HETATM 79 H UNL 1 -7.527 3.521 -2.047 1.00 0.00 H HETATM 80 H UNL 1 -8.835 4.114 -0.995 1.00 0.00 H HETATM 81 H UNL 1 -7.260 3.669 -0.294 1.00 0.00 H HETATM 82 H UNL 1 -9.861 0.631 -1.812 1.00 0.00 H HETATM 83 H UNL 1 -10.354 2.340 -1.882 1.00 0.00 H HETATM 84 H UNL 1 -9.046 1.747 -2.934 1.00 0.00 H HETATM 85 H UNL 1 -8.405 2.103 1.281 1.00 0.00 H HETATM 86 H UNL 1 -9.979 2.548 0.579 1.00 0.00 H HETATM 87 H UNL 1 -9.487 0.839 0.649 1.00 0.00 H CONECT 1 16 23 19 19 CONECT 2 3 16 7 24 CONECT 3 4 2 25 26 CONECT 4 6 5 3 27 CONECT 5 4 28 29 30 CONECT 6 4 31 32 33 CONECT 7 2 22 22 17 CONECT 8 17 14 9 34 CONECT 9 8 10 35 36 CONECT 10 9 13 11 37 CONECT 11 10 20 20 18 CONECT 12 13 18 38 39 CONECT 13 10 12 40 41 CONECT 14 8 21 42 47 CONECT 15 23 52 56 57 CONECT 16 2 1 43 CONECT 17 7 8 44 CONECT 18 11 12 45 CONECT 19 1 1 CONECT 20 11 11 CONECT 21 14 46 CONECT 22 7 7 CONECT 23 1 15 CONECT 24 2 CONECT 25 3 CONECT 26 3 CONECT 27 4 CONECT 28 5 CONECT 29 5 CONECT 30 5 CONECT 31 6 CONECT 32 6 CONECT 33 6 CONECT 34 8 CONECT 35 9 CONECT 36 9 CONECT 37 10 CONECT 38 12 CONECT 39 12 CONECT 40 13 CONECT 41 13 CONECT 42 14 CONECT 43 16 CONECT 44 17 CONECT 45 18 CONECT 46 21 CONECT 47 14 48 48 49 CONECT 47 49 50 CONECT 48 47 47 CONECT 49 47 47 CONECT 50 47 51 CONECT 51 50 CONECT 52 15 53 58 59 CONECT 53 52 54 60 61 CONECT 54 53 55 62 CONECT 55 54 56 63 64 CONECT 56 55 15 65 66 CONECT 57 15 67 74 75 CONECT 58 52 CONECT 59 52 CONECT 60 53 CONECT 61 53 CONECT 62 54 68 68 69 CONECT 63 55 CONECT 64 55 CONECT 65 56 CONECT 66 56 CONECT 67 57 76 77 78 CONECT 68 62 62 CONECT 69 62 70 CONECT 70 69 71 72 73 CONECT 71 70 79 80 81 CONECT 72 70 82 83 84 CONECT 73 70 85 86 87 CONECT 74 57 CONECT 75 57 CONECT 76 67 CONECT 77 67 CONECT 78 67 CONECT 79 71 CONECT 80 71 CONECT 81 71 CONECT 82 72 CONECT 83 72 CONECT 84 72 CONECT 85 73 CONECT 86 73 CONECT 87 73 MASTER 0 0 0 0 0 0 0 0 87 0 87 0 END