D0AA3P AUTHOR GENERATED BY OPEN BABEL 2.4.1 HETATM 1 C UNL 1 -3.941 -0.567 -1.277 1.00 0.00 C HETATM 2 C UNL 1 -5.307 -1.224 -1.119 1.00 0.00 C HETATM 3 C UNL 1 -5.229 -2.295 -0.142 1.00 0.00 C HETATM 4 C UNL 1 -3.781 -2.901 0.235 1.00 0.00 C HETATM 5 C UNL 1 -1.920 -2.008 0.502 1.00 0.00 C HETATM 6 C UNL 1 -2.522 -1.079 -0.735 1.00 0.00 C HETATM 7 C UNL 1 -4.255 -4.503 0.329 1.00 0.00 C HETATM 8 C UNL 1 -3.753 -5.229 1.919 1.00 0.00 C HETATM 9 C UNL 1 -2.232 -4.707 2.899 1.00 0.00 C HETATM 10 C UNL 1 -0.792 -3.033 2.072 1.00 0.00 C HETATM 11 C UNL 1 -3.268 -3.893 3.898 1.00 0.00 C HETATM 12 C UNL 1 -2.290 -2.921 4.282 1.00 0.00 C HETATM 13 C UNL 1 -0.761 -2.383 4.320 1.00 0.00 C HETATM 14 C UNL 1 -0.227 -2.004 3.045 1.00 0.00 C HETATM 15 C UNL 1 -4.610 -2.900 3.636 1.00 0.00 C HETATM 16 C UNL 1 -4.156 -1.793 2.817 1.00 0.00 C HETATM 17 C UNL 1 -2.898 -2.606 2.580 1.00 0.00 C HETATM 18 C UNL 1 -1.825 -4.400 0.647 1.00 0.00 C HETATM 19 C UNL 1 -1.175 -4.163 -0.814 1.00 0.00 C HETATM 20 C UNL 1 -0.587 -5.609 1.020 1.00 0.00 C HETATM 21 C UNL 1 1.003 -5.462 1.156 1.00 0.00 C HETATM 22 C UNL 1 -1.791 -4.009 5.477 1.00 0.00 C HETATM 23 C UNL 1 -0.460 -1.411 0.100 1.00 0.00 C HETATM 24 H UNL 1 -4.335 -3.144 1.074 1.00 0.00 H HETATM 25 O UNL 1 -5.906 -1.655 -2.324 1.00 0.00 O HETATM 26 C UNL 1 -3.957 -4.837 -1.260 1.00 0.00 C HETATM 27 O UNL 1 -3.950 -6.629 1.942 1.00 0.00 O HETATM 28 C UNL 1 -5.016 -4.911 -2.378 1.00 0.00 C HETATM 29 O UNL 1 1.427 -4.982 2.419 1.00 0.00 O HETATM 30 S UNL 1 3.174 -4.957 2.473 1.00 0.00 S HETATM 31 O UNL 1 3.617 -4.383 3.828 1.00 0.00 O HETATM 32 O UNL 1 3.722 -6.392 2.526 1.00 0.00 O HETATM 33 O UNL 1 4.015 -4.099 1.240 1.00 0.00 O HETATM 34 NA UNL 1 3.492 -2.136 1.389 1.00 0.00 Na HETATM 35 H UNL 1 -4.127 0.418 -0.816 1.00 0.00 H HETATM 36 H UNL 1 -3.838 -0.361 -2.369 1.00 0.00 H HETATM 37 H UNL 1 -6.014 -0.469 -0.682 1.00 0.00 H HETATM 38 H UNL 1 -5.935 -3.064 -0.538 1.00 0.00 H HETATM 39 H UNL 1 -6.003 -2.136 0.676 1.00 0.00 H HETATM 40 H UNL 1 -2.059 -1.469 -1.686 1.00 0.00 H HETATM 41 H UNL 1 -2.172 -0.043 -0.585 1.00 0.00 H HETATM 42 H UNL 1 -5.343 -4.815 0.350 1.00 0.00 H HETATM 43 H UNL 1 -4.657 -4.905 2.428 1.00 0.00 H HETATM 44 H UNL 1 -1.826 -5.552 3.479 1.00 0.00 H HETATM 45 H UNL 1 0.104 -3.351 1.559 1.00 0.00 H HETATM 46 H UNL 1 -3.827 -4.620 4.549 1.00 0.00 H HETATM 47 H UNL 1 0.091 -3.066 4.608 1.00 0.00 H HETATM 48 H UNL 1 -0.642 -1.547 5.049 1.00 0.00 H HETATM 49 H UNL 1 0.881 -1.899 3.019 1.00 0.00 H HETATM 50 H UNL 1 -0.599 -0.981 2.855 1.00 0.00 H HETATM 51 H UNL 1 -5.522 -3.272 3.129 1.00 0.00 H HETATM 52 H UNL 1 -5.048 -2.439 4.550 1.00 0.00 H HETATM 53 H UNL 1 -4.184 -0.826 3.397 1.00 0.00 H HETATM 54 H UNL 1 -4.565 -1.295 1.926 1.00 0.00 H HETATM 55 H UNL 1 -2.500 -1.568 2.564 1.00 0.00 H HETATM 56 H UNL 1 -2.270 -5.372 0.380 1.00 0.00 H HETATM 57 H UNL 1 -0.112 -3.954 -0.799 1.00 0.00 H HETATM 58 H UNL 1 -1.614 -3.479 -1.519 1.00 0.00 H HETATM 59 H UNL 1 -1.116 -5.105 -1.418 1.00 0.00 H HETATM 60 H UNL 1 -0.838 -6.310 1.839 1.00 0.00 H HETATM 61 H UNL 1 -0.573 -6.373 0.197 1.00 0.00 H HETATM 62 H UNL 1 1.444 -4.856 0.337 1.00 0.00 H HETATM 63 H UNL 1 1.443 -6.484 1.042 1.00 0.00 H HETATM 64 H UNL 1 -1.285 -3.557 6.359 1.00 0.00 H HETATM 65 H UNL 1 -0.978 -4.718 5.122 1.00 0.00 H HETATM 66 H UNL 1 -2.439 -4.770 5.971 1.00 0.00 H HETATM 67 H UNL 1 -0.271 -0.480 -0.460 1.00 0.00 H HETATM 68 H UNL 1 0.260 -2.091 -0.358 1.00 0.00 H HETATM 69 H UNL 1 0.139 -1.057 0.929 1.00 0.00 H HETATM 70 H UNL 1 -6.875 -1.832 -2.120 1.00 0.00 H HETATM 71 H UNL 1 -3.247 -5.647 -1.449 1.00 0.00 H HETATM 72 H UNL 1 -3.530 -3.922 -1.736 1.00 0.00 H HETATM 73 H UNL 1 -4.854 -6.841 2.343 1.00 0.00 H HETATM 74 H UNL 1 -5.472 -5.907 -2.402 1.00 0.00 H HETATM 75 H UNL 1 -4.491 -4.768 -3.366 1.00 0.00 H HETATM 76 H UNL 1 -5.789 -4.120 -2.389 1.00 0.00 H CONECT 1 2 6 35 36 CONECT 2 1 3 25 37 CONECT 3 2 4 38 39 CONECT 4 3 5 7 24 CONECT 5 4 6 10 23 CONECT 6 5 1 40 41 CONECT 7 4 8 26 42 CONECT 8 7 9 27 43 CONECT 9 8 10 11 44 CONECT 10 9 5 14 45 CONECT 11 9 12 15 46 CONECT 12 11 13 17 22 CONECT 13 12 14 47 48 CONECT 14 13 10 49 50 CONECT 15 11 16 51 52 CONECT 16 15 17 53 54 CONECT 17 16 12 18 55 CONECT 18 17 20 19 56 CONECT 19 18 57 58 59 CONECT 20 21 18 60 61 CONECT 21 20 29 62 63 CONECT 22 12 64 65 66 CONECT 23 5 67 68 69 CONECT 24 4 CONECT 25 2 70 CONECT 26 7 28 71 72 CONECT 27 8 73 CONECT 28 26 74 75 76 CONECT 29 21 30 CONECT 30 29 31 32 33 CONECT 31 30 CONECT 32 30 CONECT 33 30 34 CONECT 34 33 CONECT 35 1 CONECT 36 1 CONECT 37 2 CONECT 38 3 CONECT 39 3 CONECT 40 6 CONECT 41 6 CONECT 42 7 CONECT 43 8 CONECT 44 9 CONECT 45 10 CONECT 46 11 CONECT 47 13 CONECT 48 13 CONECT 49 14 CONECT 50 14 CONECT 51 15 CONECT 52 15 CONECT 53 16 CONECT 54 16 CONECT 55 17 CONECT 56 18 CONECT 57 19 CONECT 58 19 CONECT 59 19 CONECT 60 20 CONECT 61 20 CONECT 62 21 CONECT 63 21 CONECT 64 22 CONECT 65 22 CONECT 66 22 CONECT 67 23 CONECT 68 23 CONECT 69 23 CONECT 70 25 CONECT 71 26 CONECT 72 26 CONECT 73 27 CONECT 74 28 CONECT 75 28 CONECT 76 28 MASTER 0 0 0 0 0 0 0 0 76 0 76 0 END M END $$$$