D01VJR AUTHOR GENERATED BY OPEN BABEL 2.4.1 HETATM 1 C UNL 1 4.587 2.788 -1.932 1.00 0.00 C HETATM 2 C UNL 1 4.233 3.478 -0.770 1.00 0.00 C HETATM 3 C UNL 1 4.208 2.815 0.458 1.00 0.00 C HETATM 4 C UNL 1 4.467 1.426 0.486 1.00 0.00 C HETATM 5 C UNL 1 4.736 0.724 -0.699 1.00 0.00 C HETATM 6 C UNL 1 4.838 1.403 -1.925 1.00 0.00 C HETATM 7 C UNL 1 4.622 0.466 1.500 1.00 0.00 C HETATM 8 N UNL 1 4.940 -0.737 1.031 1.00 0.00 N HETATM 9 N UNL 1 4.860 -0.609 -0.319 1.00 0.00 N HETATM 10 N UNL 1 4.028 3.569 1.664 1.00 0.00 N HETATM 11 C UNL 1 5.066 -1.843 -1.139 1.00 0.00 C HETATM 12 S UNL 1 2.471 3.861 2.248 1.00 0.00 S HETATM 13 C UNL 1 2.246 5.578 1.826 1.00 0.00 C HETATM 14 O UNL 1 1.503 3.064 1.534 1.00 0.00 O HETATM 15 O UNL 1 2.595 3.786 3.690 1.00 0.00 O HETATM 16 C UNL 1 4.832 -3.166 -0.286 1.00 0.00 C HETATM 17 C UNL 1 3.442 -3.433 0.300 1.00 0.00 C HETATM 18 C UNL 1 4.086 -1.913 -2.356 1.00 0.00 C HETATM 19 C UNL 1 6.571 -1.873 -1.608 1.00 0.00 C HETATM 20 C UNL 1 4.508 -2.300 -3.646 1.00 0.00 C HETATM 21 C UNL 1 3.594 -2.507 -4.690 1.00 0.00 C HETATM 22 C UNL 1 2.234 -2.348 -4.464 1.00 0.00 C HETATM 23 C UNL 1 1.783 -1.948 -3.212 1.00 0.00 C HETATM 24 C UNL 1 2.701 -1.709 -2.179 1.00 0.00 C HETATM 25 CL UNL 1 1.111 -2.658 -5.729 1.00 0.00 Cl HETATM 26 C UNL 1 7.654 -1.769 -0.523 1.00 0.00 C HETATM 27 C UNL 1 8.993 -1.845 -1.129 1.00 0.00 C HETATM 28 N UNL 1 10.037 -1.882 -1.640 1.00 0.00 N HETATM 29 H UNL 1 4.689 3.344 -2.863 1.00 0.00 H HETATM 30 H UNL 1 4.051 4.548 -0.818 1.00 0.00 H HETATM 31 H UNL 1 5.121 0.899 -2.845 1.00 0.00 H HETATM 32 H UNL 1 4.559 0.608 2.570 1.00 0.00 H HETATM 33 H UNL 1 4.604 3.250 2.445 1.00 0.00 H HETATM 34 H UNL 1 2.218 5.680 0.740 1.00 0.00 H HETATM 35 H UNL 1 3.061 6.164 2.256 1.00 0.00 H HETATM 36 H UNL 1 1.295 5.912 2.252 1.00 0.00 H HETATM 37 H UNL 1 5.527 -3.186 0.561 1.00 0.00 H HETATM 38 H UNL 1 5.091 -4.037 -0.904 1.00 0.00 H HETATM 39 H UNL 1 3.052 -2.584 0.867 1.00 0.00 H HETATM 40 H UNL 1 3.491 -4.287 0.986 1.00 0.00 H HETATM 41 H UNL 1 2.717 -3.706 -0.471 1.00 0.00 H HETATM 42 H UNL 1 6.743 -1.070 -2.338 1.00 0.00 H HETATM 43 H UNL 1 6.755 -2.816 -2.145 1.00 0.00 H HETATM 44 H UNL 1 5.553 -2.481 -3.883 1.00 0.00 H HETATM 45 H UNL 1 3.954 -2.816 -5.669 1.00 0.00 H HETATM 46 H UNL 1 0.718 -1.841 -3.022 1.00 0.00 H HETATM 47 H UNL 1 2.301 -1.412 -1.210 1.00 0.00 H HETATM 48 H UNL 1 7.573 -2.594 0.193 1.00 0.00 H HETATM 49 H UNL 1 7.567 -0.833 0.034 1.00 0.00 H CONECT 1 2 6 29 CONECT 2 1 3 30 CONECT 3 2 4 10 CONECT 4 3 5 7 CONECT 5 4 6 9 CONECT 6 5 1 31 CONECT 7 4 8 32 CONECT 8 7 9 CONECT 9 8 5 11 CONECT 10 3 12 33 CONECT 11 9 16 18 19 CONECT 12 10 13 14 15 CONECT 13 12 34 35 36 CONECT 14 12 CONECT 15 12 CONECT 16 11 17 37 38 CONECT 17 16 39 40 41 CONECT 18 11 20 24 CONECT 19 11 26 42 43 CONECT 20 18 21 44 CONECT 21 20 22 45 CONECT 22 21 23 25 CONECT 23 22 24 46 CONECT 24 23 18 47 CONECT 25 22 CONECT 26 19 27 48 49 CONECT 27 26 28 CONECT 28 27 CONECT 29 1 CONECT 30 2 CONECT 31 6 CONECT 32 7 CONECT 33 10 CONECT 34 13 CONECT 35 13 CONECT 36 13 CONECT 37 16 CONECT 38 16 CONECT 39 17 CONECT 40 17 CONECT 41 17 CONECT 42 19 CONECT 43 19 CONECT 44 20 CONECT 45 21 CONECT 46 23 CONECT 47 24 CONECT 48 26 CONECT 49 26 MASTER 0 0 0 0 0 0 0 0 49 0 49 0 END M END $$$$