D01XVK AUTHOR GENERATED BY OPEN BABEL 2.4.1 HETATM 1 C UNL 1 2.230 1.708 -6.813 1.00 0.00 C HETATM 2 C UNL 1 2.789 2.982 -6.780 1.00 0.00 C HETATM 3 C UNL 1 3.663 3.335 -5.750 1.00 0.00 C HETATM 4 C UNL 1 3.995 2.422 -4.729 1.00 0.00 C HETATM 5 C UNL 1 3.445 1.134 -4.794 1.00 0.00 C HETATM 6 C UNL 1 2.562 0.784 -5.824 1.00 0.00 C HETATM 7 C UNL 1 4.940 2.877 -3.626 1.00 0.00 C HETATM 8 N UNL 1 4.918 2.123 -2.358 1.00 0.00 N HETATM 9 N UNL 1 6.198 2.058 -1.804 1.00 0.00 N HETATM 10 C UNL 1 7.018 2.442 -2.739 1.00 0.00 C HETATM 11 C UNL 1 6.391 2.726 -4.068 1.00 0.00 C HETATM 12 C UNL 1 3.805 2.091 -1.497 1.00 0.00 C HETATM 13 C UNL 1 2.597 2.764 -1.769 1.00 0.00 C HETATM 14 C UNL 1 1.465 2.619 -0.952 1.00 0.00 C HETATM 15 C UNL 1 1.516 1.785 0.156 1.00 0.00 C HETATM 16 C UNL 1 2.699 1.129 0.476 1.00 0.00 C HETATM 17 C UNL 1 3.835 1.295 -0.338 1.00 0.00 C HETATM 18 CL UNL 1 0.109 1.544 1.117 1.00 0.00 Cl HETATM 19 C UNL 1 8.541 2.604 -2.587 1.00 0.00 C HETATM 20 N UNL 1 9.285 1.808 -1.727 1.00 0.00 N HETATM 21 N UNL 1 9.008 3.554 -3.342 1.00 0.00 N HETATM 22 S UNL 1 10.597 3.773 -3.545 1.00 0.00 S HETATM 23 C UNL 1 10.797 5.492 -3.980 1.00 0.00 C HETATM 24 O UNL 1 11.287 3.575 -2.279 1.00 0.00 O HETATM 25 O UNL 1 11.009 3.002 -4.701 1.00 0.00 O HETATM 26 C UNL 1 10.965 6.449 -2.971 1.00 0.00 C HETATM 27 C UNL 1 11.271 7.772 -3.310 1.00 0.00 C HETATM 28 C UNL 1 11.419 8.130 -4.651 1.00 0.00 C HETATM 29 C UNL 1 11.249 7.179 -5.659 1.00 0.00 C HETATM 30 C UNL 1 10.939 5.856 -5.325 1.00 0.00 C HETATM 31 CL UNL 1 11.847 9.746 -5.061 1.00 0.00 Cl HETATM 32 C UNL 1 8.971 0.458 -1.303 1.00 0.00 C HETATM 33 C UNL 1 10.069 -0.108 -0.380 1.00 0.00 C HETATM 34 C UNL 1 10.324 0.692 0.905 1.00 0.00 C HETATM 35 C UNL 1 9.036 0.889 1.703 1.00 0.00 C HETATM 36 O UNL 1 11.338 0.051 1.680 1.00 0.00 O HETATM 37 O UNL 1 8.141 0.056 1.779 1.00 0.00 O HETATM 38 O UNL 1 9.034 2.118 2.282 1.00 0.00 O HETATM 39 C UNL 1 7.210 3.374 1.432 1.00 0.00 C HETATM 40 C UNL 1 7.742 2.622 2.637 1.00 0.00 C HETATM 41 H UNL 1 1.539 1.435 -7.606 1.00 0.00 H HETATM 42 H UNL 1 2.538 3.704 -7.555 1.00 0.00 H HETATM 43 H UNL 1 4.084 4.340 -5.747 1.00 0.00 H HETATM 44 H UNL 1 3.681 0.391 -4.034 1.00 0.00 H HETATM 45 H UNL 1 2.128 -0.213 -5.850 1.00 0.00 H HETATM 46 H UNL 1 4.740 3.933 -3.398 1.00 0.00 H HETATM 47 H UNL 1 6.566 1.866 -4.724 1.00 0.00 H HETATM 48 H UNL 1 6.766 3.637 -4.539 1.00 0.00 H HETATM 49 H UNL 1 2.500 3.415 -2.632 1.00 0.00 H HETATM 50 H UNL 1 0.549 3.145 -1.203 1.00 0.00 H HETATM 51 H UNL 1 2.750 0.472 1.340 1.00 0.00 H HETATM 52 H UNL 1 4.744 0.761 -0.075 1.00 0.00 H HETATM 53 H UNL 1 10.286 2.021 -1.714 1.00 0.00 H HETATM 54 H UNL 1 10.892 6.167 -1.923 1.00 0.00 H HETATM 55 H UNL 1 11.420 8.510 -2.526 1.00 0.00 H HETATM 56 H UNL 1 11.381 7.461 -6.702 1.00 0.00 H HETATM 57 H UNL 1 10.840 5.118 -6.120 1.00 0.00 H HETATM 58 H UNL 1 8.910 -0.185 -2.189 1.00 0.00 H HETATM 59 H UNL 1 7.999 0.423 -0.805 1.00 0.00 H HETATM 60 H UNL 1 11.016 -0.181 -0.932 1.00 0.00 H HETATM 61 H UNL 1 9.810 -1.142 -0.116 1.00 0.00 H HETATM 62 H UNL 1 10.714 1.679 0.630 1.00 0.00 H HETATM 63 H UNL 1 10.903 -0.595 2.266 1.00 0.00 H HETATM 64 H UNL 1 6.216 3.786 1.620 1.00 0.00 H HETATM 65 H UNL 1 7.161 2.710 0.565 1.00 0.00 H HETATM 66 H UNL 1 7.892 4.187 1.160 1.00 0.00 H HETATM 67 H UNL 1 7.870 3.303 3.484 1.00 0.00 H HETATM 68 H UNL 1 7.056 1.827 2.950 1.00 0.00 H CONECT 1 2 6 41 CONECT 2 1 3 42 CONECT 3 2 4 43 CONECT 4 3 5 7 CONECT 5 4 6 44 CONECT 6 5 1 45 CONECT 7 8 11 4 46 CONECT 8 7 9 12 CONECT 9 8 10 CONECT 10 9 11 19 CONECT 11 10 7 47 48 CONECT 12 8 13 17 CONECT 13 12 14 49 CONECT 14 13 15 50 CONECT 15 14 16 18 CONECT 16 15 17 51 CONECT 17 16 12 52 CONECT 18 15 CONECT 19 10 20 21 CONECT 20 19 32 53 CONECT 21 19 22 CONECT 22 21 23 24 25 CONECT 23 22 26 30 CONECT 24 22 CONECT 25 22 CONECT 26 23 27 54 CONECT 27 26 28 55 CONECT 28 27 29 31 CONECT 29 28 30 56 CONECT 30 29 23 57 CONECT 31 28 CONECT 32 20 33 58 59 CONECT 33 32 34 60 61 CONECT 34 33 35 36 62 CONECT 35 34 37 38 CONECT 36 34 63 CONECT 37 35 CONECT 38 35 40 CONECT 39 40 64 65 66 CONECT 40 38 39 67 68 CONECT 41 1 CONECT 42 2 CONECT 43 3 CONECT 44 5 CONECT 45 6 CONECT 46 7 CONECT 47 11 CONECT 48 11 CONECT 49 13 CONECT 50 14 CONECT 51 16 CONECT 52 17 CONECT 53 20 CONECT 54 26 CONECT 55 27 CONECT 56 29 CONECT 57 30 CONECT 58 32 CONECT 59 32 CONECT 60 33 CONECT 61 33 CONECT 62 34 CONECT 63 36 CONECT 64 39 CONECT 65 39 CONECT 66 39 CONECT 67 40 CONECT 68 40 MASTER 0 0 0 0 0 0 0 0 68 0 68 0 END M END $$$$