D0E2VI AUTHOR GENERATED BY OPEN BABEL 2.4.1 HETATM 1 N UNL 1 2.626 5.570 -2.504 1.00 0.00 N HETATM 2 C UNL 1 3.831 5.220 -1.912 1.00 0.00 C HETATM 3 C UNL 1 3.914 5.368 -0.369 1.00 0.00 C HETATM 4 O UNL 1 4.819 4.914 -2.568 1.00 0.00 O HETATM 5 C UNL 1 3.514 6.656 0.001 1.00 0.00 C HETATM 6 C UNL 1 4.493 7.634 0.129 1.00 0.00 C HETATM 7 C UNL 1 5.790 7.240 0.362 1.00 0.00 C HETATM 8 C UNL 1 6.065 5.886 0.581 1.00 0.00 C HETATM 9 C UNL 1 5.121 4.937 0.187 1.00 0.00 C HETATM 10 O UNL 1 5.180 3.586 0.392 1.00 0.00 O HETATM 11 S UNL 1 4.067 9.282 -0.400 1.00 0.00 S HETATM 12 C UNL 1 6.405 2.873 0.603 1.00 0.00 C HETATM 13 C UNL 1 7.459 3.130 -0.468 1.00 0.00 C HETATM 14 C UNL 1 4.055 10.281 1.052 1.00 0.00 C HETATM 15 O UNL 1 5.165 9.729 -1.237 1.00 0.00 O HETATM 16 O UNL 1 2.710 9.244 -0.917 1.00 0.00 O HETATM 17 C UNL 1 2.415 5.818 -3.924 1.00 0.00 C HETATM 18 C UNL 1 0.928 5.501 -4.096 1.00 0.00 C HETATM 19 C UNL 1 0.437 4.821 -2.840 1.00 0.00 C HETATM 20 C UNL 1 1.365 5.464 -1.838 1.00 0.00 C HETATM 21 C UNL 1 0.596 4.118 -4.291 1.00 0.00 C HETATM 22 H UNL 1 0.341 6.302 -4.515 1.00 0.00 H HETATM 23 C UNL 1 -0.583 3.899 -2.162 1.00 0.00 C HETATM 24 O UNL 1 -0.587 3.768 -0.789 1.00 0.00 O HETATM 25 C UNL 1 -1.440 2.749 -0.532 1.00 0.00 C HETATM 26 C UNL 1 -1.955 2.317 -1.727 1.00 0.00 C HETATM 27 N UNL 1 -1.407 3.055 -2.758 1.00 0.00 N HETATM 28 C UNL 1 -2.959 1.264 -1.967 1.00 0.00 C HETATM 29 C UNL 1 6.969 2.867 2.031 1.00 0.00 C HETATM 30 F UNL 1 6.109 3.380 2.939 1.00 0.00 F HETATM 31 F UNL 1 7.246 1.597 2.425 1.00 0.00 F HETATM 32 F UNL 1 8.123 3.568 2.130 1.00 0.00 F HETATM 33 H UNL 1 2.555 6.796 0.503 1.00 0.00 H HETATM 34 H UNL 1 6.597 7.987 0.442 1.00 0.00 H HETATM 35 H UNL 1 7.023 5.607 0.996 1.00 0.00 H HETATM 36 H UNL 1 6.088 1.835 0.435 1.00 0.00 H HETATM 37 H UNL 1 7.946 4.099 -0.335 1.00 0.00 H HETATM 38 H UNL 1 7.002 3.135 -1.462 1.00 0.00 H HETATM 39 H UNL 1 8.240 2.366 -0.435 1.00 0.00 H HETATM 40 H UNL 1 4.931 10.056 1.658 1.00 0.00 H HETATM 41 H UNL 1 3.129 10.105 1.607 1.00 0.00 H HETATM 42 H UNL 1 4.092 11.325 0.729 1.00 0.00 H HETATM 43 H UNL 1 3.064 5.190 -4.544 1.00 0.00 H HETATM 44 H UNL 1 2.616 6.874 -4.139 1.00 0.00 H HETATM 45 H UNL 1 1.445 4.953 -0.884 1.00 0.00 H HETATM 46 H UNL 1 1.014 6.493 -1.659 1.00 0.00 H HETATM 47 H UNL 1 1.371 3.380 -4.442 1.00 0.00 H HETATM 48 H UNL 1 -0.308 3.932 -4.870 1.00 0.00 H HETATM 49 H UNL 1 -1.571 2.476 0.505 1.00 0.00 H HETATM 50 H UNL 1 -3.241 0.769 -1.031 1.00 0.00 H HETATM 51 H UNL 1 -2.577 0.502 -2.652 1.00 0.00 H HETATM 52 H UNL 1 -3.861 1.706 -2.400 1.00 0.00 H CONECT 1 2 17 20 CONECT 2 1 3 4 CONECT 3 2 5 9 CONECT 4 2 CONECT 5 3 6 33 CONECT 6 5 7 11 CONECT 7 6 8 34 CONECT 8 7 9 35 CONECT 9 8 3 10 CONECT 10 9 12 CONECT 11 6 14 15 16 CONECT 12 13 10 29 36 CONECT 13 12 37 38 39 CONECT 14 11 40 41 42 CONECT 15 11 CONECT 16 11 CONECT 17 1 18 43 44 CONECT 18 17 19 21 22 CONECT 19 18 20 21 23 CONECT 20 19 1 45 46 CONECT 21 18 19 47 48 CONECT 22 18 CONECT 23 19 24 27 CONECT 24 23 25 CONECT 25 24 26 49 CONECT 26 25 27 28 CONECT 27 26 23 CONECT 28 26 50 51 52 CONECT 29 30 31 32 12 CONECT 30 29 CONECT 31 29 CONECT 32 29 CONECT 33 5 CONECT 34 7 CONECT 35 8 CONECT 36 12 CONECT 37 13 CONECT 38 13 CONECT 39 13 CONECT 40 14 CONECT 41 14 CONECT 42 14 CONECT 43 17 CONECT 44 17 CONECT 45 20 CONECT 46 20 CONECT 47 21 CONECT 48 21 CONECT 49 25 CONECT 50 28 CONECT 51 28 CONECT 52 28 MASTER 0 0 0 0 0 0 0 0 52 0 52 0 END M END $$$$