REMARK  Name = BDB040559
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.370   1.290   1.876  0.00  0.00    +0.139 C 
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1       -1.764   0.844   1.523  0.00  0.00    -0.028 A 
ATOM      3  C   LIG    1       -2.170  -0.476   1.723  0.00  0.00    +0.025 A 
ATOM      4  C   LIG    1       -3.460  -0.894   1.365  0.00  0.00    +0.047 A 
ATOM      5 CL   LIG    1       -3.804  -2.571   1.635  0.00  0.00    -0.083 Cl
ATOM      6  C   LIG    1       -4.394  -0.000   0.797  0.00  0.00    +0.001 A 
ATOM      7  C   LIG    1       -3.952   1.322   0.571  0.00  0.00    +0.047 A 
ATOM      8 CL   LIG    1       -4.947   2.518  -0.193  0.00  0.00    -0.083 Cl
ATOM      9  C   LIG    1       -2.662   1.734   0.929  0.00  0.00    +0.025 A 
BRANCH   6  10
ATOM     10  C   LIG    1       -5.809  -0.424   0.412  0.00  0.00    +0.108 C 
ATOM     11  C   LIG    1       -6.573  -1.114   1.540  0.00  0.00    +0.227 C 
ATOM     12  O   LIG    1       -6.471  -0.788   2.721  0.00  0.00    -0.275 OA
ATOM     13  N   LIG    1       -7.470  -2.086   1.166  0.00  0.00    -0.256 N 
ATOM     14  H   LIG    1       -7.979  -2.526   1.921  0.00  0.00    +0.157 HD
ATOM     15  C   LIG    1       -7.907  -2.385  -0.099  0.00  0.00    +0.219 C 
ATOM     16  O   LIG    1       -8.842  -3.159  -0.281  0.00  0.00    -0.275 OA
ATOM     17  C   LIG    1       -7.241  -1.646  -1.234  0.00  0.00    +0.097 C 
ATOM     18  C   LIG    1       -5.816  -1.256  -0.876  0.00  0.00    +0.027 C 
ENDBRANCH   6  10
ENDBRANCH   1   2
BRANCH   1  20
ATOM     19  C   LIG    1        0.844   2.219  -0.074  0.00  0.00    +0.226 C 
ATOM     20  N   LIG    1        0.502   1.156   0.736  0.00  0.00    -0.310 N 
ATOM     21  H   LIG    1        0.960   0.263   0.571  0.00  0.00    +0.149 HD
ATOM     22  O   LIG    1        0.411   3.352   0.137  0.00  0.00    -0.275 OA
BRANCH  19  23
ATOM     23  C   LIG    1        1.720   1.871  -1.294  0.00  0.00    +0.101 C 
ATOM     24  C   LIG    1        0.900   0.990  -2.257  0.00  0.00    +0.029 C 
ATOM     25  C   LIG    1        2.080   3.172  -2.042  0.00  0.00    +0.029 C 
BRANCH  23  29
ATOM     26  C   LIG    1        5.216  -0.273  -0.051  0.00  0.00    -0.005 A 
ATOM     27  C   LIG    1        3.929  -0.769   0.058  0.00  0.00    +0.118 A 
ATOM     28  N   LIG    1        2.807  -0.115  -0.321  0.00  0.00    -0.239 NA
ATOM     29  C   LIG    1        2.972   1.121  -0.847  0.00  0.00    +0.143 A 
ATOM     30  N   LIG    1        4.175   1.705  -0.995  0.00  0.00    -0.239 NA
ATOM     31  C   LIG    1        5.254   0.999  -0.593  0.00  0.00    +0.118 A 
BRANCH  26  33
ATOM     32  C   LIG    1        6.846  -0.775   1.839  0.00  0.00    +0.016 C 
ATOM     33  C   LIG    1        6.447  -1.027   0.405  0.00  0.00    -0.004 C 
ATOM     34  C   LIG    1        6.699  -2.414  -0.159  0.00  0.00    +0.012 C 
ATOM     35  C   LIG    1        7.561  -1.270  -0.599  0.00  0.00    +0.012 C 
ENDBRANCH  26  33
ENDBRANCH  23  29
ENDBRANCH  19  23
ENDBRANCH   1  20
TORSDOF 6