D0QR1I AUTHOR GENERATED BY OPEN BABEL 2.4.1 HETATM 1 C UNL 1 -12.329 14.277 -0.791 1.00 0.00 C HETATM 2 C UNL 1 -11.475 13.087 -0.924 1.00 0.00 C HETATM 3 C UNL 1 -10.515 12.931 -1.926 1.00 0.00 C HETATM 4 C UNL 1 -10.478 14.103 -2.765 1.00 0.00 C HETATM 5 C UNL 1 -11.416 15.283 -2.694 1.00 0.00 C HETATM 6 C UNL 1 -12.385 15.393 -1.694 1.00 0.00 C HETATM 7 C UNL 1 -9.377 11.745 -1.910 1.00 0.00 C HETATM 8 C UNL 1 -9.503 10.005 -1.888 1.00 0.00 C HETATM 9 N UNL 1 -10.412 9.647 -0.800 1.00 0.00 N HETATM 10 C UNL 1 -8.016 9.168 -1.704 1.00 0.00 C HETATM 11 N UNL 1 -7.685 7.864 -2.185 1.00 0.00 N HETATM 12 O UNL 1 -7.044 9.840 -1.298 1.00 0.00 O HETATM 13 C UNL 1 -7.258 6.280 -1.639 1.00 0.00 C HETATM 14 C UNL 1 -7.603 4.545 -1.902 1.00 0.00 C HETATM 15 N UNL 1 -6.644 3.561 -1.180 1.00 0.00 N HETATM 16 C UNL 1 -6.837 2.015 -1.042 1.00 0.00 C HETATM 17 C UNL 1 -5.609 1.119 -0.196 1.00 0.00 C HETATM 18 O UNL 1 -4.455 1.543 -0.067 1.00 0.00 O HETATM 19 N UNL 1 -5.941 -0.090 0.439 1.00 0.00 N HETATM 20 C UNL 1 -5.083 -0.801 1.489 1.00 0.00 C HETATM 21 C UNL 1 -3.984 -1.693 0.855 1.00 0.00 C HETATM 22 O UNL 1 -4.263 -2.822 0.437 1.00 0.00 O HETATM 23 N UNL 1 -2.689 -1.183 0.757 1.00 0.00 N HETATM 24 C UNL 1 -1.764 -2.036 0.036 1.00 0.00 C HETATM 25 C UNL 1 -0.358 -1.615 -0.309 1.00 0.00 C HETATM 26 C UNL 1 0.446 -0.650 0.299 1.00 0.00 C HETATM 27 C UNL 1 1.774 -0.464 -0.138 1.00 0.00 C HETATM 28 C UNL 1 2.226 -1.065 -1.310 1.00 0.00 C HETATM 29 C UNL 1 1.335 -1.849 -2.011 1.00 0.00 C HETATM 30 C UNL 1 0.208 -2.333 -1.371 1.00 0.00 C HETATM 31 C UNL 1 -5.989 -1.756 2.361 1.00 0.00 C HETATM 32 C UNL 1 -5.297 -2.625 3.445 1.00 0.00 C HETATM 33 C UNL 1 -4.785 -1.842 4.633 1.00 0.00 C HETATM 34 O UNL 1 -5.215 -0.738 4.953 1.00 0.00 O HETATM 35 N UNL 1 -3.834 -2.470 5.380 1.00 0.00 N HETATM 36 C UNL 1 -10.738 8.348 -0.465 1.00 0.00 C HETATM 37 O UNL 1 -11.782 8.416 0.384 1.00 0.00 O HETATM 38 O UNL 1 -10.175 7.351 -0.886 1.00 0.00 O HETATM 39 C UNL 1 -12.286 7.115 0.777 1.00 0.00 C HETATM 40 C UNL 1 -12.972 7.165 2.125 1.00 0.00 C HETATM 41 C UNL 1 -13.263 8.339 2.826 1.00 0.00 C HETATM 42 C UNL 1 -13.929 8.268 4.078 1.00 0.00 C HETATM 43 C UNL 1 -14.458 7.050 4.510 1.00 0.00 C HETATM 44 C UNL 1 -14.307 5.927 3.705 1.00 0.00 C HETATM 45 C UNL 1 -13.433 5.945 2.621 1.00 0.00 C HETATM 46 O UNL 1 -8.497 4.145 -2.647 1.00 0.00 O HETATM 47 C UNL 1 -8.045 2.060 -0.104 1.00 0.00 C HETATM 48 C UNL 1 -7.760 3.351 0.785 1.00 0.00 C HETATM 49 C UNL 1 -6.486 3.928 0.138 1.00 0.00 C HETATM 50 C UNL 1 -5.598 5.158 0.426 1.00 0.00 C HETATM 51 C UNL 1 -4.902 5.816 -0.796 1.00 0.00 C HETATM 52 C UNL 1 -5.757 6.122 -2.021 1.00 0.00 C HETATM 53 O UNL 1 -13.411 16.548 -1.571 1.00 0.00 O HETATM 54 P UNL 1 -14.496 15.912 -0.383 1.00 0.00 P HETATM 55 O UNL 1 -13.864 16.723 0.752 1.00 0.00 O HETATM 56 O UNL 1 -15.690 16.877 -0.931 1.00 0.00 O HETATM 57 O UNL 1 -15.581 15.276 0.805 1.00 0.00 O HETATM 58 H UNL 1 -12.895 14.254 0.140 1.00 0.00 H HETATM 59 H UNL 1 -11.572 12.335 -0.143 1.00 0.00 H HETATM 60 H UNL 1 -9.671 14.186 -3.499 1.00 0.00 H HETATM 61 H UNL 1 -11.301 16.074 -3.433 1.00 0.00 H HETATM 62 H UNL 1 -8.789 11.986 -1.011 1.00 0.00 H HETATM 63 H UNL 1 -8.717 11.964 -2.760 1.00 0.00 H HETATM 64 H UNL 1 -9.946 9.699 -2.842 1.00 0.00 H HETATM 65 H UNL 1 -11.163 10.290 -0.602 1.00 0.00 H HETATM 66 H UNL 1 -6.701 8.157 -2.190 1.00 0.00 H HETATM 67 H UNL 1 -7.432 6.413 -0.569 1.00 0.00 H HETATM 68 H UNL 1 -7.001 1.540 -2.017 1.00 0.00 H HETATM 69 H UNL 1 -6.666 -0.655 0.017 1.00 0.00 H HETATM 70 H UNL 1 -4.615 -0.050 2.136 1.00 0.00 H HETATM 71 H UNL 1 -2.598 -0.173 0.701 1.00 0.00 H HETATM 72 H UNL 1 -2.268 -2.228 -0.925 1.00 0.00 H HETATM 73 H UNL 1 -1.701 -2.991 0.568 1.00 0.00 H HETATM 74 H UNL 1 0.084 -0.063 1.134 1.00 0.00 H HETATM 75 H UNL 1 2.449 0.203 0.387 1.00 0.00 H HETATM 76 H UNL 1 3.219 -0.881 -1.710 1.00 0.00 H HETATM 77 H UNL 1 1.414 -1.928 -3.095 1.00 0.00 H HETATM 78 H UNL 1 -0.260 -3.250 -1.728 1.00 0.00 H HETATM 79 H UNL 1 -6.502 -2.460 1.689 1.00 0.00 H HETATM 80 H UNL 1 -6.782 -1.166 2.835 1.00 0.00 H HETATM 81 H UNL 1 -4.492 -3.242 3.033 1.00 0.00 H HETATM 82 H UNL 1 -6.040 -3.329 3.853 1.00 0.00 H HETATM 83 H UNL 1 -3.401 -3.346 5.119 1.00 0.00 H HETATM 84 H UNL 1 -3.465 -1.974 6.183 1.00 0.00 H HETATM 85 H UNL 1 -11.473 6.362 0.846 1.00 0.00 H HETATM 86 H UNL 1 -13.032 6.798 0.026 1.00 0.00 H HETATM 87 H UNL 1 -13.022 9.316 2.434 1.00 0.00 H HETATM 88 H UNL 1 -14.084 9.161 4.673 1.00 0.00 H HETATM 89 H UNL 1 -15.000 6.983 5.442 1.00 0.00 H HETATM 90 H UNL 1 -14.916 5.041 3.884 1.00 0.00 H HETATM 91 H UNL 1 -13.164 5.008 2.140 1.00 0.00 H HETATM 92 H UNL 1 -8.185 1.155 0.493 1.00 0.00 H HETATM 93 H UNL 1 -8.955 2.193 -0.704 1.00 0.00 H HETATM 94 H UNL 1 -8.617 4.025 0.690 1.00 0.00 H HETATM 95 H UNL 1 -7.645 3.054 1.830 1.00 0.00 H HETATM 96 H UNL 1 -5.746 3.212 0.612 1.00 0.00 H HETATM 97 H UNL 1 -6.111 5.885 1.055 1.00 0.00 H HETATM 98 H UNL 1 -4.741 4.825 1.036 1.00 0.00 H HETATM 99 H UNL 1 -4.056 5.198 -1.129 1.00 0.00 H HETATM 100 H UNL 1 -4.469 6.762 -0.461 1.00 0.00 H HETATM 101 H UNL 1 -5.625 5.304 -2.759 1.00 0.00 H HETATM 102 H UNL 1 -5.336 6.967 -2.575 1.00 0.00 H HETATM 103 H UNL 1 -15.597 17.754 -0.521 1.00 0.00 H HETATM 104 H UNL 1 -15.269 15.697 1.633 1.00 0.00 H CONECT 1 2 6 58 CONECT 2 1 3 59 CONECT 3 2 4 7 CONECT 4 3 5 60 CONECT 5 4 6 61 CONECT 6 5 1 53 CONECT 7 3 8 62 63 CONECT 8 10 9 7 64 CONECT 9 36 8 65 CONECT 10 8 11 12 CONECT 11 10 13 66 CONECT 12 10 CONECT 13 11 14 52 67 CONECT 14 13 15 46 CONECT 15 14 16 49 CONECT 16 15 17 47 68 CONECT 17 16 18 19 CONECT 18 17 CONECT 19 17 20 69 CONECT 20 31 21 19 70 CONECT 21 22 23 20 CONECT 22 21 CONECT 23 21 24 71 CONECT 24 23 25 72 73 CONECT 25 24 26 30 CONECT 26 25 27 74 CONECT 27 26 28 75 CONECT 28 27 29 76 CONECT 29 28 30 77 CONECT 30 29 25 78 CONECT 31 20 32 79 80 CONECT 32 31 33 81 82 CONECT 33 32 34 35 CONECT 34 33 CONECT 35 33 83 84 CONECT 36 9 37 38 CONECT 37 36 39 CONECT 38 36 CONECT 39 37 40 85 86 CONECT 40 39 41 45 CONECT 41 40 42 87 CONECT 42 41 43 88 CONECT 43 42 44 89 CONECT 44 43 45 90 CONECT 45 44 40 91 CONECT 46 14 CONECT 47 16 48 92 93 CONECT 48 47 49 94 95 CONECT 49 48 15 50 96 CONECT 50 49 51 97 98 CONECT 51 50 52 99 100 CONECT 52 51 13 101 102 CONECT 53 6 54 CONECT 54 53 55 56 57 CONECT 55 54 CONECT 56 54 103 CONECT 57 54 104 CONECT 58 1 CONECT 59 2 CONECT 60 4 CONECT 61 5 CONECT 62 7 CONECT 63 7 CONECT 64 8 CONECT 65 9 CONECT 66 11 CONECT 67 13 CONECT 68 16 CONECT 69 19 CONECT 70 20 CONECT 71 23 CONECT 72 24 CONECT 73 24 CONECT 74 26 CONECT 75 27 CONECT 76 28 CONECT 77 29 CONECT 78 30 CONECT 79 31 CONECT 80 31 CONECT 81 32 CONECT 82 32 CONECT 83 35 CONECT 84 35 CONECT 85 39 CONECT 86 39 CONECT 87 41 CONECT 88 42 CONECT 89 43 CONECT 90 44 CONECT 91 45 CONECT 92 47 CONECT 93 47 CONECT 94 48 CONECT 95 48 CONECT 96 49 CONECT 97 50 CONECT 98 50 CONECT 99 51 CONECT 100 51 CONECT 101 52 CONECT 102 52 CONECT 103 56 CONECT 104 57 MASTER 0 0 0 0 0 0 0 0 104 0 104 0 END M END $$$$