REMARK  Name = BDB032074
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.433  -3.762   0.191  0.00  0.00    +0.153 C 
ATOM      2  N   LIG    1       -1.675  -2.633  -0.303  0.00  0.00    -0.302 N 
ATOM      3  C   LIG    1       -2.228  -1.357  -0.134  0.00  0.00    +0.263 A 
ATOM      4  O   LIG    1       -3.310  -1.154   0.409  0.00  0.00    -0.267 OA
ATOM      5  C   LIG    1       -1.389  -0.302  -0.664  0.00  0.00    +0.091 A 
ATOM      6  C   LIG    1       -1.508   1.114  -0.748  0.00  0.00    +0.014 A 
ATOM      7  C   LIG    1       -0.366   1.565  -1.392  0.00  0.00    +0.097 A 
ATOM      8  N   LIG    1        0.422   0.481  -1.690  0.00  0.00    -0.322 N 
ATOM      9  C   LIG    1       -0.192  -0.659  -1.249  0.00  0.00    +0.149 A 
ATOM     10  N   LIG    1        0.332  -1.899  -1.385  0.00  0.00    -0.219 NA
ATOM     11  C   LIG    1       -0.443  -2.830  -0.909  0.00  0.00    +0.204 A 
ENDROOT
BRANCH   6  12
ATOM     12  C   LIG    1       -2.551   2.013  -0.283  0.00  0.00    -0.013 A 
ATOM     13  C   LIG    1       -3.051   1.904   1.020  0.00  0.00    +0.050 A 
ATOM     14  C   LIG    1       -4.044   2.776   1.449  0.00  0.00    +0.165 A 
ATOM     15  F   LIG    1       -4.524   2.679   2.698  0.00  0.00    -0.202 F 
ATOM     16  C   LIG    1       -4.547   3.759   0.602  0.00  0.00    +0.152 A 
ATOM     17  C   LIG    1       -4.061   3.882  -0.692  0.00  0.00    +0.049 A 
ATOM     18  C   LIG    1       -3.063   3.009  -1.134  0.00  0.00    +0.012 A 
BRANCH  16  19
ATOM     19  O   LIG    1       -5.521   4.618   1.022  0.00  0.00    -0.504 OA
ATOM     20  H   LIG    1       -5.736   4.369   1.940  0.00  0.00    +0.292 HD
ENDBRANCH  16  19
ENDBRANCH   6  12
BRANCH   8  21
ATOM     21  C   LIG    1        1.690   0.526  -2.395  0.00  0.00    +0.219 C 
BRANCH  21  22
ATOM     22  C   LIG    1        2.871   0.522  -1.445  0.00  0.00    +0.237 C 
ATOM     23  N   LIG    1        3.071  -0.690  -0.805  0.00  0.00    -0.283 N 
ATOM     24  H   LIG    1        2.362  -1.411  -0.960  0.00  0.00    +0.155 HD
ATOM     25  O   LIG    1        3.572   1.524  -1.322  0.00  0.00    -0.274 OA
BRANCH  23  26
ATOM     26  C   LIG    1        4.100  -1.028   0.112  0.00  0.00    +0.055 A 
ATOM     27  C   LIG    1        4.109  -2.310   0.682  0.00  0.00    +0.080 A 
ATOM     28 CL   LIG    1        2.916  -3.497   0.304  0.00  0.00    -0.080 Cl
ATOM     29  C   LIG    1        5.119  -2.635   1.578  0.00  0.00    +0.132 A 
ATOM     30  N   LIG    1        6.108  -1.790   1.942  0.00  0.00    -0.262 NA
ATOM     31  C   LIG    1        6.082  -0.563   1.381  0.00  0.00    +0.112 A 
ATOM     32  C   LIG    1        5.116  -0.144   0.476  0.00  0.00    +0.044 A 
ENDBRANCH  23  26
ENDBRANCH  21  22
ENDBRANCH   8  21
TORSDOF 5