REMARK  Name = BDB055184
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.425  -0.134   0.367  0.00  0.00    +0.090 C 
ENDROOT
BRANCH   1   2
ATOM      2  N   LIG    1       -2.076   1.185   0.511  0.00  0.00    -0.287 NA
ATOM      3  C   LIG    1       -3.273   1.219   1.393  0.00  0.00    +0.033 C 
ATOM      4  C   LIG    1       -3.725   2.685   1.621  0.00  0.00    +0.029 C 
ATOM      5  C   LIG    1       -2.963   0.652   2.797  0.00  0.00    +0.029 C 
ATOM      6  C   LIG    1       -4.446   0.418   0.772  0.00  0.00    +0.135 C 
ATOM      7  N   LIG    1       -4.615   0.590  -0.677  0.00  0.00    -0.267 N 
ATOM      8  C   LIG    1       -3.617   1.109  -1.502  0.00  0.00    +0.234 C 
ATOM      9  O   LIG    1       -3.725   1.174  -2.731  0.00  0.00    -0.274 OA
ATOM     10  C   LIG    1       -2.399   1.742  -0.824  0.00  0.00    +0.181 C 
BRANCH   7  11
ATOM     11  C   LIG    1       -5.694  -0.143  -1.257  0.00  0.00    +0.055 A 
ATOM     12  C   LIG    1       -5.504  -1.275  -2.072  0.00  0.00    +0.062 A 
ATOM     13 CL   LIG    1       -3.948  -1.995  -2.317  0.00  0.00    -0.082 Cl
ATOM     14  C   LIG    1       -6.608  -1.934  -2.622  0.00  0.00    +0.022 A 
ATOM     15  C   LIG    1       -7.902  -1.483  -2.357  0.00  0.00    +0.002 A 
ATOM     16  C   LIG    1       -8.097  -0.379  -1.529  0.00  0.00    +0.002 A 
ATOM     17  C   LIG    1       -7.000   0.284  -0.976  0.00  0.00    +0.025 A 
ENDBRANCH   7  11
ENDBRANCH   1   2
BRANCH   1  20
ATOM     18  C   LIG    1        2.243   0.715   1.482  0.00  0.00    +0.089 C 
ATOM     19  C   LIG    1        0.929   0.829   0.688  0.00  0.00    +0.020 C 
ATOM     20  C   LIG    1       -0.104  -0.205   1.162  0.00  0.00    +0.018 C 
ATOM     21  C   LIG    1        0.488  -1.626   1.065  0.00  0.00    +0.085 C 
ATOM     22  N   LIG    1        1.894  -1.746   1.470  0.00  0.00    -0.315 NA
ATOM     23  H   LIG    1        2.021  -2.610   2.001  0.00  0.00    +0.122 HD
ATOM     24  C   LIG    1        2.360  -0.604   2.262  0.00  0.00    +0.093 C 
BRANCH  18  27
ATOM     25  N   LIG    1        3.659  -0.105  -0.330  0.00  0.00    -0.315 N 
ATOM     26  H   LIG    1        3.137  -0.966  -0.170  0.00  0.00    +0.149 HD
ATOM     27  C   LIG    1        3.451   0.913   0.573  0.00  0.00    +0.217 C 
ATOM     28  O   LIG    1        4.157   1.915   0.642  0.00  0.00    -0.275 OA
BRANCH  25  29
ATOM     29  C   LIG    1        4.807  -0.136  -1.209  0.00  0.00    +0.104 C 
BRANCH  29  30
ATOM     30  C   LIG    1        6.042  -0.684  -0.493  0.00  0.00    +0.022 C 
BRANCH  30  32
ATOM     31  C   LIG    1        8.385  -1.573  -0.663  0.00  0.00    +0.007 C 
ATOM     32  C   LIG    1        7.249  -0.886  -1.426  0.00  0.00    -0.016 C 
ATOM     33  C   LIG    1        7.750   0.429  -2.025  0.00  0.00    +0.007 C 
ENDBRANCH  30  32
ENDBRANCH  29  30
ENDBRANCH  25  29
ENDBRANCH  18  27
ENDBRANCH   1  20
TORSDOF 7