D05NBR AUTHOR GENERATED BY OPEN BABEL 2.4.1 HETATM 1 N UNL 1 0.653 1.887 -1.046 1.00 0.00 N HETATM 2 C UNL 1 1.782 2.587 -0.720 1.00 0.00 C HETATM 3 N UNL 1 2.426 3.446 -1.657 1.00 0.00 N HETATM 4 C UNL 1 3.539 4.223 -1.191 1.00 0.00 C HETATM 5 O UNL 1 2.255 2.370 0.398 1.00 0.00 O HETATM 6 N UNL 1 4.101 5.514 -1.627 1.00 0.00 N HETATM 7 N UNL 1 3.257 6.439 -1.085 1.00 0.00 N HETATM 8 C UNL 1 2.740 5.788 -0.016 1.00 0.00 C HETATM 9 C UNL 1 3.549 4.572 0.158 1.00 0.00 C HETATM 10 C UNL 1 5.483 6.001 -1.589 1.00 0.00 C HETATM 11 C UNL 1 6.646 5.297 -1.880 1.00 0.00 C HETATM 12 C UNL 1 7.896 5.774 -1.500 1.00 0.00 C HETATM 13 C UNL 1 8.000 6.803 -0.556 1.00 0.00 C HETATM 14 C UNL 1 6.844 7.414 -0.146 1.00 0.00 C HETATM 15 C UNL 1 5.708 7.219 -0.914 1.00 0.00 C HETATM 16 C UNL 1 -0.045 1.755 -2.252 1.00 0.00 C HETATM 17 C UNL 1 1.234 5.869 -0.123 1.00 0.00 C HETATM 18 C UNL 1 4.773 4.096 0.889 1.00 0.00 C HETATM 19 C UNL 1 0.623 6.481 -1.257 1.00 0.00 C HETATM 20 N UNL 1 -0.698 6.339 -1.299 1.00 0.00 N HETATM 21 N UNL 1 -0.972 5.722 -0.139 1.00 0.00 N HETATM 22 C UNL 1 0.149 5.399 0.597 1.00 0.00 C HETATM 23 C UNL 1 -2.358 5.450 0.159 1.00 0.00 C HETATM 24 C UNL 1 0.075 2.748 -3.191 1.00 0.00 C HETATM 25 C UNL 1 0.046 2.397 -4.517 1.00 0.00 C HETATM 26 C UNL 1 -0.923 1.471 -4.868 1.00 0.00 C HETATM 27 C UNL 1 -1.380 0.598 -3.892 1.00 0.00 C HETATM 28 C UNL 1 -0.815 0.624 -2.593 1.00 0.00 C HETATM 29 CL UNL 1 -1.511 1.443 -6.468 1.00 0.00 Cl HETATM 30 CL UNL 1 1.674 1.945 -5.104 1.00 0.00 Cl HETATM 31 C UNL 1 -1.032 -0.613 -1.739 1.00 0.00 C HETATM 32 C UNL 1 0.072 -1.654 -1.931 1.00 0.00 C HETATM 33 C UNL 1 1.400 -1.307 -1.258 1.00 0.00 C HETATM 34 O UNL 1 1.134 -1.057 0.124 1.00 0.00 O HETATM 35 C UNL 1 2.328 -0.784 0.845 1.00 0.00 C HETATM 36 H UNL 1 0.459 1.183 -0.337 1.00 0.00 H HETATM 37 H UNL 1 1.848 3.949 -2.307 1.00 0.00 H HETATM 38 H UNL 1 6.574 4.353 -2.472 1.00 0.00 H HETATM 39 H UNL 1 8.813 5.294 -1.818 1.00 0.00 H HETATM 40 H UNL 1 8.938 7.073 -0.094 1.00 0.00 H HETATM 41 H UNL 1 6.738 7.660 0.915 1.00 0.00 H HETATM 42 H UNL 1 5.239 8.105 -1.352 1.00 0.00 H HETATM 43 H UNL 1 5.563 4.844 0.971 1.00 0.00 H HETATM 44 H UNL 1 5.219 3.271 0.294 1.00 0.00 H HETATM 45 H UNL 1 4.551 3.651 1.858 1.00 0.00 H HETATM 46 H UNL 1 1.105 6.966 -2.099 1.00 0.00 H HETATM 47 H UNL 1 0.070 4.862 1.529 1.00 0.00 H HETATM 48 H UNL 1 -2.973 5.713 -0.711 1.00 0.00 H HETATM 49 H UNL 1 -2.661 6.065 1.008 1.00 0.00 H HETATM 50 H UNL 1 -2.472 4.386 0.367 1.00 0.00 H HETATM 51 H UNL 1 0.105 3.785 -2.894 1.00 0.00 H HETATM 52 H UNL 1 -2.064 -0.197 -4.184 1.00 0.00 H HETATM 53 H UNL 1 -1.986 -1.087 -2.033 1.00 0.00 H HETATM 54 H UNL 1 -1.166 -0.352 -0.689 1.00 0.00 H HETATM 55 H UNL 1 0.258 -1.841 -3.007 1.00 0.00 H HETATM 56 H UNL 1 -0.277 -2.606 -1.500 1.00 0.00 H HETATM 57 H UNL 1 1.842 -0.416 -1.716 1.00 0.00 H HETATM 58 H UNL 1 2.100 -2.142 -1.355 1.00 0.00 H HETATM 59 H UNL 1 2.062 -0.583 1.886 1.00 0.00 H HETATM 60 H UNL 1 2.832 0.088 0.430 1.00 0.00 H HETATM 61 H UNL 1 3.007 -1.640 0.808 1.00 0.00 H CONECT 1 2 16 36 CONECT 2 1 3 5 CONECT 3 2 4 37 CONECT 4 3 6 9 CONECT 5 2 CONECT 6 4 7 10 CONECT 7 6 8 CONECT 8 7 9 17 CONECT 9 8 4 18 CONECT 10 6 11 15 CONECT 11 10 12 38 CONECT 12 11 13 39 CONECT 13 12 14 40 CONECT 14 13 15 41 CONECT 15 14 10 42 CONECT 16 1 24 28 CONECT 17 8 19 22 CONECT 18 9 43 44 45 CONECT 19 17 20 46 CONECT 20 19 21 CONECT 21 20 22 23 CONECT 22 21 17 47 CONECT 23 21 48 49 50 CONECT 24 16 25 51 CONECT 25 24 26 30 CONECT 26 25 27 29 CONECT 27 26 28 52 CONECT 28 27 16 31 CONECT 29 26 CONECT 30 25 CONECT 31 28 32 53 54 CONECT 32 31 33 55 56 CONECT 33 32 34 57 58 CONECT 34 33 35 CONECT 35 34 59 60 61 CONECT 36 1 CONECT 37 3 CONECT 38 11 CONECT 39 12 CONECT 40 13 CONECT 41 14 CONECT 42 15 CONECT 43 18 CONECT 44 18 CONECT 45 18 CONECT 46 19 CONECT 47 22 CONECT 48 23 CONECT 49 23 CONECT 50 23 CONECT 51 24 CONECT 52 27 CONECT 53 31 CONECT 54 31 CONECT 55 32 CONECT 56 32 CONECT 57 33 CONECT 58 33 CONECT 59 35 CONECT 60 35 CONECT 61 35 MASTER 0 0 0 0 0 0 0 0 61 0 61 0 END M END $$$$