REMARK  Name = BDB034419
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.137   1.402  -0.710  0.00  0.00    +0.034 C 
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1       -0.607   1.267   0.742  0.00  0.00    +0.083 C 
BRANCH   2   3
ATOM      3  N   LIG    1       -1.758   0.380   0.905  0.00  0.00    -0.312 NA
ATOM      4  H   LIG    1       -1.596  -0.506   0.427  0.00  0.00    +0.122 HD
BRANCH   3   5
ATOM      5  C   LIG    1       -3.013   0.965   0.444  0.00  0.00    +0.117 C 
BRANCH   5   8
ATOM      6  C   LIG    1       -5.627  -1.746  -0.058  0.00  0.00    +0.117 A 
ATOM      7  C   LIG    1       -4.580  -0.856  -0.277  0.00  0.00    +0.051 A 
ATOM      8  C   LIG    1       -4.171   0.036   0.732  0.00  0.00    -0.016 A 
ATOM      9  C   LIG    1       -4.837  -0.009   1.968  0.00  0.00    +0.022 A 
ATOM     10 BR   LIG    1       -4.369   1.121   3.422  0.00  0.00    -0.050 Br
ATOM     11  C   LIG    1       -5.891  -0.910   2.177  0.00  0.00    +0.019 A 
ATOM     12  C   LIG    1       -6.289  -1.780   1.162  0.00  0.00    +0.046 A 
BRANCH   6  13
ATOM     13  O   LIG    1       -5.974  -2.579  -1.080  0.00  0.00    -0.507 OA
ATOM     14  H   LIG    1       -6.699  -3.152  -0.782  0.00  0.00    +0.292 HD
ENDBRANCH   6  13
ENDBRANCH   5   8
ENDBRANCH   3   5
ENDBRANCH   2   3
ENDBRANCH   1   2
BRANCH   1  15
ATOM     15  C   LIG    1        1.089   2.310  -0.843  0.00  0.00    +0.103 C 
BRANCH  15  16
ATOM     16  N   LIG    1        2.294   1.732  -0.253  0.00  0.00    -0.343 N 
ATOM     17  H   LIG    1        2.236   1.658   0.758  0.00  0.00    +0.146 HD
BRANCH  16  18
ATOM     18  C   LIG    1        2.995   0.662  -0.833  0.00  0.00    +0.038 A 
ATOM     19  C   LIG    1        4.042   0.009  -0.113  0.00  0.00    +0.021 A 
ATOM     20  C   LIG    1        4.734  -1.046  -0.759  0.00  0.00    +0.074 A 
ATOM     21  C   LIG    1        5.740  -1.722  -0.085  0.00  0.00    +0.048 A 
ATOM     22  C   LIG    1        6.099  -1.377   1.214  0.00  0.00    +0.043 A 
ATOM     23  C   LIG    1        5.454  -0.337   1.865  0.00  0.00    +0.021 A 
ATOM     24 CL   LIG    1        7.355  -2.237   2.015  0.00  0.00    -0.083 Cl
ATOM     25  N   LIG    1        4.474  -1.431  -2.014  0.00  0.00    -0.255 NA
ATOM     26  C   LIG    1        3.527  -0.758  -2.692  0.00  0.00    +0.113 A 
ATOM     27  C   LIG    1        4.436   0.353   1.206  0.00  0.00    +0.013 A 
ATOM     28  C   LIG    1        2.788   0.281  -2.160  0.00  0.00    +0.043 A 
ENDBRANCH  16  18
ENDBRANCH  15  16
ENDBRANCH   1  15
TORSDOF 8