D0V1CB AUTHOR GENERATED BY OPEN BABEL 2.4.1 HETATM 1 C UNL 1 4.755 -0.793 2.563 1.00 0.00 C HETATM 2 C UNL 1 3.743 0.401 2.773 1.00 0.00 C HETATM 3 C UNL 1 4.504 1.729 2.486 1.00 0.00 C HETATM 4 C UNL 1 5.117 1.448 1.069 1.00 0.00 C HETATM 5 C UNL 1 4.482 0.094 0.299 1.00 0.00 C HETATM 6 C UNL 1 4.818 -1.297 1.117 1.00 0.00 C HETATM 7 N UNL 1 3.985 -2.645 1.101 1.00 0.00 N HETATM 8 C UNL 1 4.605 -3.983 0.944 1.00 0.00 C HETATM 9 N UNL 1 4.769 -5.072 1.888 1.00 0.00 N HETATM 10 C UNL 1 5.240 -6.368 1.455 1.00 0.00 C HETATM 11 C UNL 1 5.534 -6.481 0.134 1.00 0.00 C HETATM 12 C UNL 1 4.939 -5.547 -0.684 1.00 0.00 C HETATM 13 N UNL 1 4.617 -4.280 -0.349 1.00 0.00 N HETATM 14 C UNL 1 5.386 -7.735 2.331 1.00 0.00 C HETATM 15 N UNL 1 5.596 -9.145 1.903 1.00 0.00 N HETATM 16 C UNL 1 5.632 -10.015 3.066 1.00 0.00 C HETATM 17 N UNL 1 5.454 -9.271 4.138 1.00 0.00 N HETATM 18 C UNL 1 5.317 -7.940 3.710 1.00 0.00 C HETATM 19 C UNL 1 5.736 -9.734 0.619 1.00 0.00 C HETATM 20 C UNL 1 5.931 -11.069 0.465 1.00 0.00 C HETATM 21 C UNL 1 5.961 -11.925 1.617 1.00 0.00 C HETATM 22 C UNL 1 5.824 -11.499 2.899 1.00 0.00 C HETATM 23 C UNL 1 5.413 1.929 3.765 1.00 0.00 C HETATM 24 N UNL 1 6.304 2.968 4.024 1.00 0.00 N HETATM 25 O UNL 1 5.330 1.062 4.657 1.00 0.00 O HETATM 26 C UNL 1 6.207 4.351 3.538 1.00 0.00 C HETATM 27 C UNL 1 7.181 5.344 4.205 1.00 0.00 C HETATM 28 C UNL 1 8.527 4.689 4.468 1.00 0.00 C HETATM 29 C UNL 1 8.342 3.596 5.493 1.00 0.00 C HETATM 30 C UNL 1 7.196 2.660 5.160 1.00 0.00 C HETATM 31 O UNL 1 9.473 5.642 4.947 1.00 0.00 O HETATM 32 C UNL 1 5.745 -12.738 3.881 1.00 0.00 C HETATM 33 C UNL 1 6.395 -12.916 5.271 1.00 0.00 C HETATM 34 C UNL 1 5.808 -12.089 6.399 1.00 0.00 C HETATM 35 C UNL 1 4.329 -12.346 6.637 1.00 0.00 C HETATM 36 S UNL 1 3.679 -11.321 7.935 1.00 0.00 S HETATM 37 C UNL 1 3.839 -9.663 7.304 1.00 0.00 C HETATM 38 O UNL 1 2.261 -11.568 8.024 1.00 0.00 O HETATM 39 O UNL 1 4.536 -11.420 9.126 1.00 0.00 O HETATM 40 H UNL 1 4.525 -1.596 3.258 1.00 0.00 H HETATM 41 H UNL 1 5.779 -0.455 2.788 1.00 0.00 H HETATM 42 H UNL 1 3.339 0.383 3.788 1.00 0.00 H HETATM 43 H UNL 1 2.853 0.334 2.133 1.00 0.00 H HETATM 44 H UNL 1 3.804 2.578 2.447 1.00 0.00 H HETATM 45 H UNL 1 6.202 1.322 1.155 1.00 0.00 H HETATM 46 H UNL 1 4.971 2.343 0.441 1.00 0.00 H HETATM 47 H UNL 1 4.910 0.087 -0.713 1.00 0.00 H HETATM 48 H UNL 1 3.405 0.274 0.149 1.00 0.00 H HETATM 49 H UNL 1 5.827 -1.558 0.781 1.00 0.00 H HETATM 50 H UNL 1 3.476 -2.632 0.213 1.00 0.00 H HETATM 51 H UNL 1 6.490 -6.919 -0.153 1.00 0.00 H HETATM 52 H UNL 1 4.209 -5.944 -1.403 1.00 0.00 H HETATM 53 H UNL 1 5.169 -7.169 4.453 1.00 0.00 H HETATM 54 H UNL 1 5.680 -9.089 -0.243 1.00 0.00 H HETATM 55 H UNL 1 5.996 -11.522 -0.512 1.00 0.00 H HETATM 56 H UNL 1 6.049 -12.985 1.375 1.00 0.00 H HETATM 57 H UNL 1 5.180 4.713 3.671 1.00 0.00 H HETATM 58 H UNL 1 6.404 4.319 2.463 1.00 0.00 H HETATM 59 H UNL 1 6.770 5.707 5.159 1.00 0.00 H HETATM 60 H UNL 1 7.308 6.243 3.591 1.00 0.00 H HETATM 61 H UNL 1 8.933 4.275 3.539 1.00 0.00 H HETATM 62 H UNL 1 8.170 4.032 6.488 1.00 0.00 H HETATM 63 H UNL 1 9.271 3.024 5.613 1.00 0.00 H HETATM 64 H UNL 1 7.635 1.679 4.934 1.00 0.00 H HETATM 65 H UNL 1 6.585 2.521 6.064 1.00 0.00 H HETATM 66 H UNL 1 9.267 5.855 5.874 1.00 0.00 H HETATM 67 H UNL 1 6.203 -13.594 3.348 1.00 0.00 H HETATM 68 H UNL 1 4.691 -13.040 3.954 1.00 0.00 H HETATM 69 H UNL 1 7.479 -12.767 5.218 1.00 0.00 H HETATM 70 H UNL 1 6.273 -13.977 5.562 1.00 0.00 H HETATM 71 H UNL 1 5.996 -11.036 6.193 1.00 0.00 H HETATM 72 H UNL 1 6.351 -12.329 7.325 1.00 0.00 H HETATM 73 H UNL 1 4.155 -13.385 6.944 1.00 0.00 H HETATM 74 H UNL 1 3.723 -12.162 5.741 1.00 0.00 H HETATM 75 H UNL 1 3.356 -9.612 6.320 1.00 0.00 H HETATM 76 H UNL 1 4.897 -9.418 7.238 1.00 0.00 H HETATM 77 H UNL 1 3.337 -8.984 7.998 1.00 0.00 H CONECT 1 2 6 40 41 CONECT 2 1 3 42 43 CONECT 3 2 4 23 44 CONECT 4 3 5 45 46 CONECT 5 4 6 47 48 CONECT 6 5 1 7 49 CONECT 7 8 6 50 CONECT 8 7 9 13 CONECT 9 8 10 CONECT 10 9 11 14 CONECT 11 10 12 51 CONECT 12 11 13 52 CONECT 13 12 8 CONECT 14 10 15 18 CONECT 15 14 16 19 CONECT 16 15 17 22 CONECT 17 16 18 CONECT 18 17 14 53 CONECT 19 15 20 54 CONECT 20 19 21 55 CONECT 21 20 22 56 CONECT 22 21 16 32 CONECT 23 3 24 25 CONECT 24 23 26 30 CONECT 25 23 CONECT 26 24 27 57 58 CONECT 27 26 28 59 60 CONECT 28 27 29 31 61 CONECT 29 28 30 62 63 CONECT 30 29 24 64 65 CONECT 31 28 66 CONECT 32 22 33 67 68 CONECT 33 32 34 69 70 CONECT 34 33 35 71 72 CONECT 35 34 36 73 74 CONECT 36 35 37 38 39 CONECT 37 36 75 76 77 CONECT 38 36 CONECT 39 36 CONECT 40 1 CONECT 41 1 CONECT 42 2 CONECT 43 2 CONECT 44 3 CONECT 45 4 CONECT 46 4 CONECT 47 5 CONECT 48 5 CONECT 49 6 CONECT 50 7 CONECT 51 11 CONECT 52 12 CONECT 53 18 CONECT 54 19 CONECT 55 20 CONECT 56 21 CONECT 57 26 CONECT 58 26 CONECT 59 27 CONECT 60 27 CONECT 61 28 CONECT 62 29 CONECT 63 29 CONECT 64 30 CONECT 65 30 CONECT 66 31 CONECT 67 32 CONECT 68 32 CONECT 69 33 CONECT 70 33 CONECT 71 34 CONECT 72 34 CONECT 73 35 CONECT 74 35 CONECT 75 37 CONECT 76 37 CONECT 77 37 MASTER 0 0 0 0 0 0 0 0 77 0 77 0 END M END $$$$