REMARK  Name = BDB024071
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.791   0.246  -0.000  0.00  0.00    +0.250 C 
ATOM      2  N   LIG    1        1.179  -0.281   1.120  0.00  0.00    -0.281 N 
ATOM      3  H   LIG    1        1.782  -0.553   1.888  0.00  0.00    +0.155 HD
ATOM      4  O   LIG    1        1.225   0.673  -1.000  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   1   7
ATOM      5  C   LIG    1        5.288   0.041  -1.391  0.00  0.00    +0.053 A 
ATOM      6  C   LIG    1        3.896   0.057  -1.262  0.00  0.00    +0.033 A 
ATOM      7  C   LIG    1        3.285   0.246  -0.005  0.00  0.00    +0.057 A 
ATOM      8  C   LIG    1        4.098   0.437   1.122  0.00  0.00    +0.053 A 
ATOM      9 CL   LIG    1        3.482   0.738   2.708  0.00  0.00    -0.083 Cl
ATOM     10  C   LIG    1        5.493   0.418   0.989  0.00  0.00    +0.022 A 
ATOM     11  C   LIG    1        6.086   0.218  -0.260  0.00  0.00    +0.020 A 
BRANCH   5  13
ATOM     12  N   LIG    1        6.394  -0.325  -3.709  0.00  0.00    -0.191 NA
ATOM     13  C   LIG    1        5.894  -0.159  -2.676  0.00  0.00    +0.099 C 
ENDBRANCH   5  13
ENDBRANCH   1   7
BRANCH   2  14
ATOM     14  C   LIG    1       -0.207  -0.429   1.353  0.00  0.00    +0.037 A 
ATOM     15  C   LIG    1       -1.195  -0.128   0.417  0.00  0.00    +0.051 A 
ATOM     16  C   LIG    1       -2.540  -0.305   0.748  0.00  0.00    +0.073 A 
ATOM     17  N   LIG    1       -2.912  -0.784   1.964  0.00  0.00    -0.255 NA
ATOM     18  C   LIG    1       -1.943  -1.071   2.855  0.00  0.00    +0.113 A 
ATOM     19  C   LIG    1       -0.594  -0.913   2.600  0.00  0.00    +0.043 A 
BRANCH  16  20
ATOM     20  C   LIG    1       -3.648  -0.002  -0.187  0.00  0.00    +0.000 A 
ATOM     21  C   LIG    1       -3.544   0.989  -1.181  0.00  0.00    +0.010 A 
ATOM     22  C   LIG    1       -4.601   1.258  -2.058  0.00  0.00    +0.001 A 
ATOM     23  C   LIG    1       -5.791   0.544  -1.958  0.00  0.00    +0.000 A 
ATOM     24  C   LIG    1       -5.927  -0.435  -0.980  0.00  0.00    +0.001 A 
ATOM     25  C   LIG    1       -4.868  -0.701  -0.105  0.00  0.00    +0.010 A 
ENDBRANCH  16  20
ENDBRANCH   2  14
TORSDOF 4