D0IH3I AUTHOR GENERATED BY OPEN BABEL 2.4.1 HETATM 1 C UNL 1 0.752 -0.106 -2.376 1.00 0.00 C HETATM 2 C UNL 1 0.199 1.061 -1.823 1.00 0.00 C HETATM 3 C UNL 1 0.294 2.176 -2.598 1.00 0.00 C HETATM 4 C UNL 1 1.203 2.286 -3.665 1.00 0.00 C HETATM 5 C UNL 1 1.509 1.074 -4.348 1.00 0.00 C HETATM 6 C UNL 1 1.154 -0.178 -3.745 1.00 0.00 C HETATM 7 N UNL 1 -0.598 3.249 -2.600 1.00 0.00 N HETATM 8 C UNL 1 -0.293 4.146 -3.611 1.00 0.00 C HETATM 9 C UNL 1 1.134 3.806 -3.900 1.00 0.00 C HETATM 10 C UNL 1 2.011 4.704 -3.332 1.00 0.00 C HETATM 11 C UNL 1 1.695 6.029 -2.805 1.00 0.00 C HETATM 12 N UNL 1 0.668 6.857 -3.291 1.00 0.00 N HETATM 13 C UNL 1 0.537 7.955 -2.426 1.00 0.00 C HETATM 14 C UNL 1 1.040 7.399 -1.246 1.00 0.00 C HETATM 15 C UNL 1 2.265 6.892 -1.840 1.00 0.00 C HETATM 16 C UNL 1 3.476 7.775 -2.126 1.00 0.00 C HETATM 17 C UNL 1 0.185 6.663 -0.253 1.00 0.00 C HETATM 18 N UNL 1 -1.188 6.719 -0.453 1.00 0.00 N HETATM 19 C UNL 1 -2.099 5.835 0.259 1.00 0.00 C HETATM 20 C UNL 1 -3.612 6.158 0.106 1.00 0.00 C HETATM 21 N UNL 1 -4.274 5.842 -1.188 1.00 0.00 N HETATM 22 O UNL 1 0.673 6.020 0.702 1.00 0.00 O HETATM 23 C UNL 1 -4.328 4.407 -1.506 1.00 0.00 C HETATM 24 C UNL 1 -4.965 3.450 -0.499 1.00 0.00 C HETATM 25 C UNL 1 -5.584 6.529 -1.256 1.00 0.00 C HETATM 26 C UNL 1 -6.492 6.218 -2.450 1.00 0.00 C HETATM 27 C UNL 1 0.539 9.374 -2.900 1.00 0.00 C HETATM 28 O UNL 1 -0.994 4.987 -4.133 1.00 0.00 O HETATM 29 C UNL 1 0.894 -1.548 -4.402 1.00 0.00 C HETATM 30 N UNL 1 1.124 -1.994 -5.753 1.00 0.00 N HETATM 31 C UNL 1 0.605 -3.227 -5.978 1.00 0.00 C HETATM 32 S UNL 1 -0.299 -3.830 -4.633 1.00 0.00 S HETATM 33 C UNL 1 0.161 -2.499 -3.703 1.00 0.00 C HETATM 34 C UNL 1 0.805 -4.192 -7.140 1.00 0.00 C HETATM 35 C UNL 1 0.335 -5.542 -7.169 1.00 0.00 C HETATM 36 C UNL 1 0.735 -6.466 -8.158 1.00 0.00 C HETATM 37 C UNL 1 1.757 -6.124 -9.024 1.00 0.00 C HETATM 38 C UNL 1 2.269 -4.838 -8.959 1.00 0.00 C HETATM 39 C UNL 1 1.604 -3.850 -8.219 1.00 0.00 C HETATM 40 H UNL 1 0.763 -0.983 -1.729 1.00 0.00 H HETATM 41 H UNL 1 -0.317 1.046 -0.867 1.00 0.00 H HETATM 42 H UNL 1 1.940 1.094 -5.347 1.00 0.00 H HETATM 43 H UNL 1 -1.521 3.191 -2.207 1.00 0.00 H HETATM 44 H UNL 1 2.955 4.309 -2.944 1.00 0.00 H HETATM 45 H UNL 1 0.073 6.661 -4.090 1.00 0.00 H HETATM 46 H UNL 1 3.171 8.794 -2.411 1.00 0.00 H HETATM 47 H UNL 1 4.064 7.390 -2.965 1.00 0.00 H HETATM 48 H UNL 1 4.120 7.882 -1.250 1.00 0.00 H HETATM 49 H UNL 1 -1.519 7.156 -1.300 1.00 0.00 H HETATM 50 H UNL 1 -1.847 5.907 1.327 1.00 0.00 H HETATM 51 H UNL 1 -1.876 4.811 -0.043 1.00 0.00 H HETATM 52 H UNL 1 -3.729 7.231 0.304 1.00 0.00 H HETATM 53 H UNL 1 -4.151 5.644 0.914 1.00 0.00 H HETATM 54 H UNL 1 -3.307 4.065 -1.685 1.00 0.00 H HETATM 55 H UNL 1 -4.821 4.259 -2.474 1.00 0.00 H HETATM 56 H UNL 1 -4.368 3.369 0.415 1.00 0.00 H HETATM 57 H UNL 1 -5.011 2.443 -0.935 1.00 0.00 H HETATM 58 H UNL 1 -5.986 3.737 -0.233 1.00 0.00 H HETATM 59 H UNL 1 -5.381 7.607 -1.303 1.00 0.00 H HETATM 60 H UNL 1 -6.163 6.355 -0.340 1.00 0.00 H HETATM 61 H UNL 1 -5.995 6.430 -3.402 1.00 0.00 H HETATM 62 H UNL 1 -7.391 6.844 -2.400 1.00 0.00 H HETATM 63 H UNL 1 -6.833 5.179 -2.451 1.00 0.00 H HETATM 64 H UNL 1 -0.469 9.775 -3.018 1.00 0.00 H HETATM 65 H UNL 1 1.075 9.469 -3.852 1.00 0.00 H HETATM 66 H UNL 1 1.069 10.015 -2.182 1.00 0.00 H HETATM 67 H UNL 1 -0.190 -2.487 -2.687 1.00 0.00 H HETATM 68 H UNL 1 -0.350 -5.926 -6.416 1.00 0.00 H HETATM 69 H UNL 1 0.317 -7.470 -8.194 1.00 0.00 H HETATM 70 H UNL 1 2.177 -6.852 -9.716 1.00 0.00 H HETATM 71 H UNL 1 3.232 -4.620 -9.413 1.00 0.00 H HETATM 72 H UNL 1 1.617 -2.821 -8.564 1.00 0.00 H CONECT 1 2 6 40 CONECT 2 1 3 41 CONECT 3 2 4 7 CONECT 4 3 5 9 CONECT 5 4 6 42 CONECT 6 5 1 29 CONECT 7 3 8 43 CONECT 8 7 9 28 CONECT 9 8 4 10 CONECT 10 9 11 44 CONECT 11 10 12 15 CONECT 12 11 13 45 CONECT 13 12 14 27 CONECT 14 13 15 17 CONECT 15 14 11 16 CONECT 16 15 46 47 48 CONECT 17 14 18 22 CONECT 18 17 19 49 CONECT 19 18 20 50 51 CONECT 20 19 21 52 53 CONECT 21 20 23 25 CONECT 22 17 CONECT 23 21 24 54 55 CONECT 24 23 56 57 58 CONECT 25 21 26 59 60 CONECT 26 25 61 62 63 CONECT 27 13 64 65 66 CONECT 28 8 CONECT 29 6 30 33 CONECT 30 29 31 CONECT 31 30 32 34 CONECT 32 31 33 CONECT 33 32 29 67 CONECT 34 31 35 39 CONECT 35 34 36 68 CONECT 36 35 37 69 CONECT 37 36 38 70 CONECT 38 37 39 71 CONECT 39 38 34 72 CONECT 40 1 CONECT 41 2 CONECT 42 5 CONECT 43 7 CONECT 44 10 CONECT 45 12 CONECT 46 16 CONECT 47 16 CONECT 48 16 CONECT 49 18 CONECT 50 19 CONECT 51 19 CONECT 52 20 CONECT 53 20 CONECT 54 23 CONECT 55 23 CONECT 56 24 CONECT 57 24 CONECT 58 24 CONECT 59 25 CONECT 60 25 CONECT 61 26 CONECT 62 26 CONECT 63 26 CONECT 64 27 CONECT 65 27 CONECT 66 27 CONECT 67 33 CONECT 68 35 CONECT 69 36 CONECT 70 37 CONECT 71 38 CONECT 72 39 MASTER 0 0 0 0 0 0 0 0 72 0 72 0 END M END $$$$