REMARK  Name = BDB003009
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -7.223   0.331  -1.073  0.00  0.00    +0.065 C 
ATOM      2  C   LIG    1       -5.747   0.411  -0.829  0.00  0.00    +0.041 A 
ATOM      3  N   LIG    1       -5.081  -0.752  -0.665  0.00  0.00    -0.252 NA
ATOM      4  C   LIG    1       -3.762  -0.712  -0.421  0.00  0.00    +0.073 A 
ATOM      5  C   LIG    1       -3.026   0.489  -0.347  0.00  0.00    +0.023 A 
ATOM      6  C   LIG    1       -1.639   0.421  -0.052  0.00  0.00    +0.035 A 
ATOM      7  C   LIG    1       -0.987  -0.802   0.154  0.00  0.00    +0.034 A 
ATOM      8  C   LIG    1       -1.729  -1.971   0.061  0.00  0.00    +0.025 A 
ATOM      9  C   LIG    1       -3.736   1.693  -0.577  0.00  0.00    +0.036 A 
ATOM     10  C   LIG    1       -3.099  -1.913  -0.222  0.00  0.00    +0.030 A 
ATOM     11  C   LIG    1       -5.116   1.643  -0.770  0.00  0.00    +0.046 A 
ENDROOT
BRANCH   7  12
ATOM     12  N   LIG    1        0.395  -0.763   0.434  0.00  0.00    -0.282 N 
ATOM     13  H   LIG    1        0.813   0.156   0.467  0.00  0.00    +0.155 HD
ATOM     14  C   LIG    1        1.218  -1.830   0.722  0.00  0.00    +0.241 C 
ATOM     15  O   LIG    1        0.895  -3.002   0.867  0.00  0.00    -0.270 OA
BRANCH  14  16
ATOM     16  C   LIG    1        2.642  -1.460   0.952  0.00  0.00    +0.068 C 
ATOM     17  C   LIG    1        3.289  -0.494   0.281  0.00  0.00    +0.014 C 
BRANCH  17  18
ATOM     18  C   LIG    1        4.716  -0.184   0.490  0.00  0.00    -0.007 A 
ATOM     19  C   LIG    1        5.591   0.067  -0.584  0.00  0.00    +0.048 A 
ATOM     20 CL   LIG    1        5.070  -0.019  -2.233  0.00  0.00    -0.083 Cl
ATOM     21  C   LIG    1        6.933   0.389  -0.352  0.00  0.00    +0.020 A 
ATOM     22  C   LIG    1        7.419   0.474   0.951  0.00  0.00    +0.001 A 
ATOM     23  C   LIG    1        6.564   0.242   2.025  0.00  0.00    +0.001 A 
ATOM     24  C   LIG    1        5.223  -0.080   1.797  0.00  0.00    +0.009 A 
ENDBRANCH  17  18
ENDBRANCH  14  16
ENDBRANCH   7  12
BRANCH   9  25
ATOM     25  N   LIG    1       -3.158   2.973  -0.416  0.00  0.00    -0.357 N 
ATOM     26  H   LIG    1       -3.334   3.330   0.522  0.00  0.00    +0.142 HD
ATOM     27  H   LIG    1       -2.164   2.995  -0.617  0.00  0.00    +0.142 HD
ENDBRANCH   9  25
TORSDOF 4