REMARK  Name = BDB043938
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.351  -2.444  -0.042  0.00  0.00    +0.128 A 
ATOM      2  C   LIG    1       -0.941  -1.188  -0.555  0.00  0.00    +0.031 A 
ATOM      3  C   LIG    1        0.131  -1.152  -1.482  0.00  0.00    -0.013 A 
ATOM      4  C   LIG    1        0.763  -2.337  -1.881  0.00  0.00    +0.009 A 
ATOM      5  C   LIG    1        0.350  -3.561  -1.365  0.00  0.00    +0.004 A 
ATOM      6  C   LIG    1       -0.700  -3.616  -0.449  0.00  0.00    +0.046 A 
ENDROOT
BRANCH   3   7
ATOM      7  C   LIG    1        0.635   0.104  -2.052  0.00  0.00    +0.022 C 
ATOM      8  C   LIG    1        1.531   0.918  -1.476  0.00  0.00    +0.046 C 
ATOM      9  C   LIG    1        2.273   0.846  -0.214  0.00  0.00    +0.008 A 
ATOM     10  C   LIG    1        3.026   2.027  -0.149  0.00  0.00    +0.043 A 
ATOM     11  C   LIG    1        3.860   2.325   0.910  0.00  0.00    +0.044 A 
ATOM     12  C   LIG    1        3.934   1.386   1.938  0.00  0.00    +0.043 A 
ATOM     13  C   LIG    1        3.194   0.192   1.891  0.00  0.00    +0.021 A 
ATOM     14 CL   LIG    1        4.955   1.693   3.292  0.00  0.00    -0.083 Cl
ATOM     15  N   LIG    1        2.811   2.811  -1.280  0.00  0.00    -0.281 N 
ATOM     16  H   LIG    1        3.237   3.704  -1.474  0.00  0.00    +0.155 HD
ATOM     17  C   LIG    1        2.356  -0.087   0.804  0.00  0.00    +0.012 A 
ATOM     18  C   LIG    1        1.917   2.209  -2.150  0.00  0.00    +0.249 C 
ATOM     19  O   LIG    1        1.530   2.631  -3.222  0.00  0.00    -0.270 OA
ENDBRANCH   3   7
BRANCH   2  20
ATOM     20  C   LIG    1       -1.619   0.056  -0.131  0.00  0.00    -0.014 A 
ATOM     21  C   LIG    1       -1.403   0.590   1.150  0.00  0.00    +0.010 A 
ATOM     22  C   LIG    1       -2.026   1.777   1.547  0.00  0.00    +0.019 A 
ATOM     23  C   LIG    1       -2.881   2.447   0.668  0.00  0.00    +0.052 A 
ATOM     24  C   LIG    1       -3.110   1.924  -0.607  0.00  0.00    +0.019 A 
ATOM     25  C   LIG    1       -2.486   0.737  -1.001  0.00  0.00    +0.010 A 
BRANCH  23  26
ATOM     26  C   LIG    1       -3.520   3.664   1.074  0.00  0.00    +0.099 C 
ATOM     27  N   LIG    1       -4.037   4.649   1.406  0.00  0.00    -0.191 NA
ENDBRANCH  23  26
ENDBRANCH   2  20
BRANCH   1  29
ATOM     28  C   LIG    1       -2.917  -3.665   1.295  0.00  0.00    +0.277 C 
ATOM     29  O   LIG    1       -2.392  -2.420   0.855  0.00  0.00    -0.494 OA
ENDBRANCH   1  29
TORSDOF 4