COMPND logfile.log AUTHOR GENERATED BY OPEN BABEL 2.3.0 HETATM 1 LI LIG 1 0.151 -0.774 1.690 1.00 0.00 Li HETATM 2 LI LIG 2 1.364 1.200 -0.001 1.00 0.00 Li HETATM 3 LI LIG 3 -1.444 1.119 0.220 1.00 0.00 Li HETATM 4 C LIG 4 2.160 -0.013 1.582 1.00 0.00 C HETATM 5 H LIG 4 2.652 0.977 1.564 1.00 0.00 H HETATM 6 H LIG 4 2.963 -0.686 1.236 1.00 0.00 H HETATM 7 C LIG 4 1.915 -0.321 3.074 1.00 0.00 C HETATM 8 H LIG 4 1.138 0.352 3.464 1.00 0.00 H HETATM 9 H LIG 4 1.520 -1.346 3.198 1.00 0.00 H HETATM 10 C LIG 4 3.133 -0.216 4.005 1.00 0.00 C HETATM 11 H LIG 4 2.805 -0.358 5.042 1.00 0.00 H HETATM 12 H LIG 4 3.535 0.802 3.939 1.00 0.00 H HETATM 13 C LIG 4 4.234 -1.225 3.685 1.00 0.00 C HETATM 14 H LIG 4 5.065 -1.135 4.385 1.00 0.00 H HETATM 15 H LIG 4 3.851 -2.248 3.747 1.00 0.00 H HETATM 16 H LIG 4 4.628 -1.075 2.678 1.00 0.00 H HETATM 17 C LIG 5 0.144 -2.653 0.512 1.00 0.00 C HETATM 18 H LIG 5 0.559 -2.932 1.499 1.00 0.00 H HETATM 19 H LIG 5 0.878 -3.089 -0.190 1.00 0.00 H HETATM 20 C LIG 3 1.147 3.474 -0.328 1.00 0.00 C HETATM 21 H LIG 3 1.639 3.219 0.626 1.00 0.00 H HETATM 22 H LIG 3 1.872 3.205 -1.113 1.00 0.00 H HETATM 23 C LIG 3 0.978 4.994 -0.352 1.00 0.00 C HETATM 24 H LIG 3 0.511 5.276 -1.300 1.00 0.00 H HETATM 25 H LIG 3 0.270 5.280 0.436 1.00 0.00 H HETATM 26 C LIG 3 2.291 5.757 -0.169 1.00 0.00 C HETATM 27 H LIG 3 2.134 6.837 -0.210 1.00 0.00 H HETATM 28 H LIG 3 3.005 5.494 -0.956 1.00 0.00 H HETATM 29 H LIG 3 2.753 5.520 0.793 1.00 0.00 H HETATM 30 C LIG 1 -1.897 -0.174 1.889 1.00 0.00 C HETATM 31 H LIG 1 -1.425 -0.220 2.888 1.00 0.00 H HETATM 32 H LIG 1 -2.470 -1.118 1.849 1.00 0.00 H HETATM 33 C LIG 1 -2.930 0.964 1.971 1.00 0.00 C HETATM 34 H LIG 1 -2.422 1.934 2.080 1.00 0.00 H HETATM 35 H LIG 1 -3.501 1.027 1.028 1.00 0.00 H HETATM 36 C LIG 1 -3.952 0.848 3.106 1.00 0.00 C HETATM 37 H LIG 1 -3.409 0.788 4.056 1.00 0.00 H HETATM 38 H LIG 1 -4.486 -0.103 2.998 1.00 0.00 H HETATM 39 C LIG 1 -4.945 2.007 3.146 1.00 0.00 C HETATM 40 H LIG 1 -4.431 2.961 3.299 1.00 0.00 H HETATM 41 H LIG 1 -5.503 2.079 2.207 1.00 0.00 H HETATM 42 H LIG 1 -5.671 1.887 3.955 1.00 0.00 H HETATM 43 LI LIG 6 -1.364 -1.200 0.001 1.00 0.00 Li HETATM 44 LI LIG 5 1.444 -1.119 -0.220 1.00 0.00 Li HETATM 45 LI LIG 7 -0.151 0.774 -1.690 1.00 0.00 Li HETATM 46 C LIG 3 -0.144 2.653 -0.512 1.00 0.00 C HETATM 47 C LIG 7 1.897 0.174 -1.889 1.00 0.00 C HETATM 48 C LIG 8 -2.160 0.013 -1.582 1.00 0.00 C HETATM 49 C LIG 5 -1.147 -3.474 0.328 1.00 0.00 C HETATM 50 C LIG 8 -1.915 0.321 -3.074 1.00 0.00 C HETATM 51 H LIG 3 -0.559 2.932 -1.499 1.00 0.00 H HETATM 52 H LIG 3 -0.878 3.089 0.190 1.00 0.00 H HETATM 53 H LIG 7 1.425 0.220 -2.888 1.00 0.00 H HETATM 54 H LIG 7 2.470 1.118 -1.849 1.00 0.00 H HETATM 55 C LIG 7 2.930 -0.964 -1.971 1.00 0.00 C HETATM 56 H LIG 8 -2.652 -0.977 -1.564 1.00 0.00 H HETATM 57 H LIG 8 -2.963 0.686 -1.236 1.00 0.00 H HETATM 58 H LIG 5 -1.639 -3.219 -0.626 1.00 0.00 H HETATM 59 H LIG 5 -1.872 -3.205 1.113 1.00 0.00 H HETATM 60 C LIG 5 -0.978 -4.994 0.352 1.00 0.00 C HETATM 61 H LIG 8 -1.138 -0.352 -3.464 1.00 0.00 H HETATM 62 H LIG 8 -1.520 1.346 -3.198 1.00 0.00 H HETATM 63 C LIG 8 -3.133 0.216 -4.005 1.00 0.00 C HETATM 64 H LIG 7 2.422 -1.934 -2.080 1.00 0.00 H HETATM 65 H LIG 7 3.501 -1.027 -1.028 1.00 0.00 H HETATM 66 C LIG 7 3.952 -0.848 -3.106 1.00 0.00 C HETATM 67 H LIG 5 -0.511 -5.276 1.300 1.00 0.00 H HETATM 68 H LIG 5 -0.270 -5.280 -0.436 1.00 0.00 H HETATM 69 C LIG 5 -2.291 -5.757 0.169 1.00 0.00 C HETATM 70 H LIG 8 -2.805 0.358 -5.042 1.00 0.00 H HETATM 71 H LIG 8 -3.535 -0.802 -3.939 1.00 0.00 H HETATM 72 C LIG 8 -4.234 1.225 -3.685 1.00 0.00 C HETATM 73 H LIG 7 3.409 -0.788 -4.056 1.00 0.00 H HETATM 74 H LIG 7 4.486 0.103 -2.998 1.00 0.00 H HETATM 75 C LIG 7 4.945 -2.007 -3.146 1.00 0.00 C HETATM 76 H LIG 5 -2.134 -6.837 0.210 1.00 0.00 H HETATM 77 H LIG 5 -3.005 -5.494 0.956 1.00 0.00 H HETATM 78 H LIG 5 -2.753 -5.520 -0.793 1.00 0.00 H HETATM 79 H LIG 8 -5.065 1.135 -4.385 1.00 0.00 H HETATM 80 H LIG 8 -3.851 2.248 -3.747 1.00 0.00 H HETATM 81 H LIG 8 -4.628 1.075 -2.678 1.00 0.00 H HETATM 82 H LIG 7 4.431 -2.961 -3.299 1.00 0.00 H HETATM 83 H LIG 7 5.503 -2.079 -2.207 1.00 0.00 H HETATM 84 H LIG 7 5.671 -1.887 -3.955 1.00 0.00 H CONECT 1 30 CONECT 3 46 CONECT 4 6 5 7 CONECT 5 4 CONECT 6 4 CONECT 7 4 9 8 10 CONECT 7 CONECT 8 7 CONECT 9 7 CONECT 10 7 13 12 11 CONECT 10 CONECT 11 10 CONECT 12 10 CONECT 13 16 15 10 14 CONECT 13 CONECT 14 13 CONECT 15 13 CONECT 16 13 CONECT 17 44 19 49 18 CONECT 17 CONECT 18 17 CONECT 19 17 CONECT 20 22 46 23 21 CONECT 20 CONECT 21 20 CONECT 22 20 CONECT 23 24 20 26 25 CONECT 23 CONECT 24 23 CONECT 25 23 CONECT 26 28 23 27 29 CONECT 26 CONECT 27 26 CONECT 28 26 CONECT 29 26 CONECT 30 1 32 33 31 CONECT 30 CONECT 31 30 CONECT 32 30 CONECT 33 35 30 34 36 CONECT 33 CONECT 34 33 CONECT 35 33 CONECT 36 33 38 39 37 CONECT 36 CONECT 37 36 CONECT 38 36 CONECT 39 41 36 40 42 CONECT 39 CONECT 40 39 CONECT 41 39 CONECT 42 39 CONECT 44 17 CONECT 45 47 CONECT 46 51 20 52 3 CONECT 46 CONECT 47 53 55 54 45 CONECT 47 CONECT 48 50 56 57 CONECT 49 58 60 17 59 CONECT 49 CONECT 50 63 61 62 48 CONECT 50 CONECT 51 46 CONECT 52 46 CONECT 53 47 CONECT 54 47 CONECT 55 66 64 47 65 CONECT 55 CONECT 56 48 CONECT 57 48 CONECT 58 49 CONECT 59 49 CONECT 60 68 69 49 67 CONECT 60 CONECT 61 50 CONECT 62 50 CONECT 63 70 71 72 50 CONECT 63 CONECT 64 55 CONECT 65 55 CONECT 66 73 75 74 55 CONECT 66 CONECT 67 60 CONECT 68 60 CONECT 69 78 76 60 77 CONECT 69 CONECT 70 63 CONECT 71 63 CONECT 72 79 63 80 81 CONECT 72 CONECT 73 66 CONECT 74 66 CONECT 75 84 82 66 83 CONECT 75 CONECT 76 69 CONECT 77 69 CONECT 78 69 CONECT 79 72 CONECT 80 72 CONECT 81 72 CONECT 82 75 CONECT 83 75 CONECT 84 75 MASTER 0 0 0 0 0 0 0 0 84 0 84 0 END