D0KA3L AUTHOR GENERATED BY OPEN BABEL 2.4.1 HETATM 1 N UNL 1 2.051 -1.180 -0.425 1.00 0.00 N HETATM 2 C UNL 1 1.453 -0.460 0.607 1.00 0.00 C HETATM 3 C UNL 1 1.857 -0.906 2.050 1.00 0.00 C HETATM 4 N UNL 1 1.080 -2.097 2.510 1.00 0.00 N HETATM 5 C UNL 1 1.267 -3.334 1.951 1.00 0.00 C HETATM 6 C UNL 1 1.658 -1.070 -1.782 1.00 0.00 C HETATM 7 C UNL 1 0.546 -4.568 2.371 1.00 0.00 C HETATM 8 C UNL 1 -0.511 -4.902 3.390 1.00 0.00 C HETATM 9 O UNL 1 0.862 -4.988 3.724 1.00 0.00 O HETATM 10 C UNL 1 -1.365 -4.005 4.147 1.00 0.00 C HETATM 11 O UNL 1 -2.425 -3.563 3.750 1.00 0.00 O HETATM 12 O UNL 1 -0.857 -3.792 5.393 1.00 0.00 O HETATM 13 O UNL 1 2.123 -3.484 1.087 1.00 0.00 O HETATM 14 O UNL 1 0.582 0.389 0.441 1.00 0.00 O HETATM 15 C UNL 1 3.380 -0.951 2.202 1.00 0.00 C HETATM 16 C UNL 1 1.228 0.099 -2.407 1.00 0.00 C HETATM 17 C UNL 1 0.771 0.068 -3.731 1.00 0.00 C HETATM 18 C UNL 1 0.516 -1.154 -4.345 1.00 0.00 C HETATM 19 C UNL 1 0.810 -2.315 -3.645 1.00 0.00 C HETATM 20 C UNL 1 1.638 -2.235 -2.532 1.00 0.00 C HETATM 21 C UNL 1 3.838 -1.126 3.615 1.00 0.00 C HETATM 22 C UNL 1 4.488 -2.230 4.135 1.00 0.00 C HETATM 23 S UNL 1 4.696 -2.048 5.826 1.00 0.00 S HETATM 24 C UNL 1 4.110 -0.442 5.698 1.00 0.00 C HETATM 25 N UNL 1 3.654 -0.088 4.516 1.00 0.00 N HETATM 26 H UNL 1 2.384 -2.104 -0.147 1.00 0.00 H HETATM 27 H UNL 1 1.483 -0.093 2.694 1.00 0.00 H HETATM 28 H UNL 1 0.387 -1.958 3.234 1.00 0.00 H HETATM 29 H UNL 1 0.634 -5.310 1.588 1.00 0.00 H HETATM 30 H UNL 1 -1.035 -5.843 3.161 1.00 0.00 H HETATM 31 H UNL 1 -0.023 -4.290 5.508 1.00 0.00 H HETATM 32 H UNL 1 3.804 -0.007 1.823 1.00 0.00 H HETATM 33 H UNL 1 3.827 -1.735 1.579 1.00 0.00 H HETATM 34 H UNL 1 1.290 1.054 -1.899 1.00 0.00 H HETATM 35 H UNL 1 0.510 0.981 -4.255 1.00 0.00 H HETATM 36 H UNL 1 0.010 -1.219 -5.302 1.00 0.00 H HETATM 37 H UNL 1 -0.046 -3.001 -3.557 1.00 0.00 H HETATM 38 H UNL 1 2.518 -2.880 -2.494 1.00 0.00 H HETATM 39 H UNL 1 4.815 -3.123 3.622 1.00 0.00 H HETATM 40 H UNL 1 4.113 0.228 6.549 1.00 0.00 H CONECT 1 2 6 26 CONECT 2 1 3 14 CONECT 3 2 4 15 27 CONECT 4 3 5 28 CONECT 5 4 7 13 CONECT 6 1 16 20 CONECT 7 5 8 9 29 CONECT 8 7 9 10 30 CONECT 9 8 7 CONECT 10 8 11 12 CONECT 11 10 CONECT 12 10 31 CONECT 13 5 CONECT 14 2 CONECT 15 3 21 32 33 CONECT 16 6 17 34 CONECT 17 16 18 35 CONECT 18 17 19 36 CONECT 19 18 20 37 CONECT 20 19 6 38 CONECT 21 15 22 25 CONECT 22 21 23 39 CONECT 23 22 24 CONECT 24 23 25 40 CONECT 25 24 21 CONECT 26 1 CONECT 27 3 CONECT 28 4 CONECT 29 7 CONECT 30 8 CONECT 31 12 CONECT 32 15 CONECT 33 15 CONECT 34 16 CONECT 35 17 CONECT 36 18 CONECT 37 19 CONECT 38 20 CONECT 39 22 CONECT 40 24 MASTER 0 0 0 0 0 0 0 0 40 0 40 0 END M END $$$$