D0KX2W AUTHOR GENERATED BY OPEN BABEL 2.4.1 HETATM 1 C UNL 1 -0.256 -1.651 4.007 1.00 0.00 C HETATM 2 C UNL 1 -0.817 -2.398 5.049 1.00 0.00 C HETATM 3 C UNL 1 -2.195 -2.727 5.067 1.00 0.00 C HETATM 4 C UNL 1 -3.009 -2.284 4.031 1.00 0.00 C HETATM 5 C UNL 1 -2.431 -1.449 3.030 1.00 0.00 C HETATM 6 C UNL 1 -1.063 -1.163 2.997 1.00 0.00 C HETATM 7 N UNL 1 -4.312 -2.873 3.667 1.00 0.00 N HETATM 8 C UNL 1 -5.413 -4.199 4.362 1.00 0.00 C HETATM 9 N UNL 1 -4.178 -5.111 3.450 1.00 0.00 N HETATM 10 C UNL 1 -3.664 -4.347 2.282 1.00 0.00 C HETATM 11 C UNL 1 -4.472 -3.232 2.270 1.00 0.00 C HETATM 12 CL UNL 1 1.447 -1.386 3.933 1.00 0.00 Cl HETATM 13 C UNL 1 -6.173 -5.114 5.309 1.00 0.00 C HETATM 14 C UNL 1 -5.453 -4.247 4.412 1.00 0.00 C HETATM 15 C UNL 1 -6.745 -2.878 4.155 1.00 0.00 C HETATM 16 C UNL 1 -8.102 -2.974 4.284 1.00 0.00 C HETATM 17 C UNL 1 -8.547 -4.165 4.780 1.00 0.00 C HETATM 18 C UNL 1 -7.613 -5.122 5.301 1.00 0.00 C HETATM 19 CL UNL 1 -8.317 -6.440 6.207 1.00 0.00 Cl HETATM 20 C UNL 1 -2.531 -4.507 1.283 1.00 0.00 C HETATM 21 N UNL 1 -1.311 -5.073 1.700 1.00 0.00 N HETATM 22 O UNL 1 -2.620 -3.994 0.161 1.00 0.00 O HETATM 23 CL UNL 1 -9.156 -1.672 3.945 1.00 0.00 Cl HETATM 24 N UNL 1 -0.154 -5.286 0.834 1.00 0.00 N HETATM 25 C UNL 1 0.704 -4.147 0.438 1.00 0.00 C HETATM 26 C UNL 1 1.226 -4.485 -0.976 1.00 0.00 C HETATM 27 C UNL 1 0.955 -5.971 -1.104 1.00 0.00 C HETATM 28 C UNL 1 -0.372 -6.104 -0.363 1.00 0.00 C HETATM 29 S UNL 1 -5.500 -2.477 1.111 1.00 0.00 S HETATM 30 C UNL 1 -5.622 -3.805 -0.151 1.00 0.00 C HETATM 31 H UNL 1 -0.160 -2.785 5.828 1.00 0.00 H HETATM 32 H UNL 1 -2.528 -3.404 5.842 1.00 0.00 H HETATM 33 H UNL 1 -3.014 -1.100 2.177 1.00 0.00 H HETATM 34 H UNL 1 -0.642 -0.621 2.152 1.00 0.00 H HETATM 35 H UNL 1 -4.541 -3.819 5.596 1.00 0.00 H HETATM 36 H UNL 1 -6.338 -1.868 3.969 1.00 0.00 H HETATM 37 H UNL 1 -9.611 -4.337 4.924 1.00 0.00 H HETATM 38 H UNL 1 -1.241 -5.430 2.647 1.00 0.00 H HETATM 39 H UNL 1 1.571 -4.098 1.110 1.00 0.00 H HETATM 40 H UNL 1 0.217 -3.168 0.432 1.00 0.00 H HETATM 41 H UNL 1 2.285 -4.245 -1.134 1.00 0.00 H HETATM 42 H UNL 1 0.649 -3.945 -1.737 1.00 0.00 H HETATM 43 H UNL 1 1.749 -6.543 -0.604 1.00 0.00 H HETATM 44 H UNL 1 0.904 -6.304 -2.145 1.00 0.00 H HETATM 45 H UNL 1 -0.587 -7.144 -0.115 1.00 0.00 H HETATM 46 H UNL 1 -1.173 -5.705 -0.996 1.00 0.00 H HETATM 47 H UNL 1 -5.231 -4.762 0.182 1.00 0.00 H HETATM 48 H UNL 1 -6.659 -3.948 -0.450 1.00 0.00 H HETATM 49 H UNL 1 -5.054 -3.478 -1.028 1.00 0.00 H CONECT 1 2 6 12 CONECT 2 1 3 31 CONECT 3 2 4 32 CONECT 4 3 5 7 CONECT 5 4 6 33 CONECT 6 5 1 34 CONECT 7 4 8 11 CONECT 8 7 9 13 CONECT 9 8 10 CONECT 10 9 11 20 CONECT 11 10 7 29 CONECT 12 1 CONECT 13 8 14 18 CONECT 14 13 15 35 CONECT 15 14 16 36 CONECT 16 15 17 23 CONECT 17 16 18 37 CONECT 18 17 13 19 CONECT 19 18 CONECT 20 10 21 22 CONECT 21 20 24 38 CONECT 22 20 CONECT 23 16 CONECT 24 21 25 28 CONECT 25 24 26 39 40 CONECT 26 25 27 41 42 CONECT 27 26 28 43 44 CONECT 28 27 24 45 46 CONECT 29 11 30 CONECT 30 29 47 48 49 CONECT 31 2 CONECT 32 3 CONECT 33 5 CONECT 34 6 CONECT 35 14 CONECT 36 15 CONECT 37 17 CONECT 38 21 CONECT 39 25 CONECT 40 25 CONECT 41 26 CONECT 42 26 CONECT 43 27 CONECT 44 27 CONECT 45 28 CONECT 46 28 CONECT 47 30 CONECT 48 30 CONECT 49 30 MASTER 0 0 0 0 0 0 0 0 49 0 49 0 END M END $$$$