REMARK  Name = BDB006889
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.535  -0.645   1.596  0.00  0.00    +0.234 C 
ATOM      2  N   LIG    1        0.766  -0.810   1.122  0.00  0.00    -0.269 N 
ATOM      3  C   LIG    1        1.591  -1.927   1.421  0.00  0.00    +0.042 A 
ATOM      4  C   LIG    1        2.829  -1.774   0.787  0.00  0.00    -0.015 A 
ATOM      5  C   LIG    1        3.800  -2.767   0.939  0.00  0.00    +0.007 A 
ATOM      6  C   LIG    1        3.524  -3.893   1.716  0.00  0.00    +0.020 A 
ATOM      7  C   LIG    1        2.280  -4.024   2.339  0.00  0.00    +0.043 A 
ATOM      8 CL   LIG    1        1.958  -5.420   3.294  0.00  0.00    -0.083 Cl
ATOM      9  C   LIG    1        2.878  -0.447  -0.008  0.00  0.00    +0.045 C 
ATOM     10  C   LIG    1        4.043   0.547   0.234  0.00  0.00    +0.122 C 
ATOM     11  N   LIG    1        4.014   0.789  -1.200  0.00  0.00    -0.300 N 
ATOM     12  C   LIG    1        4.931   1.412  -2.007  0.00  0.00    +0.213 C 
ATOM     13  O   LIG    1        5.023   1.179  -3.209  0.00  0.00    -0.276 OA
ATOM     14  C   LIG    1        5.830   2.398  -1.313  0.00  0.00    +0.109 C 
ATOM     15  C   LIG    1        3.308  -0.451  -1.495  0.00  0.00    +0.122 C 
ATOM     16  C   LIG    1        1.301  -3.042   2.196  0.00  0.00    +0.043 A 
ATOM     17  C   LIG    1        1.474   0.150   0.237  0.00  0.00    +0.128 C 
ATOM     18  O   LIG    1       -1.085  -1.425   2.378  0.00  0.00    -0.274 OA
ENDROOT
BRANCH   1  19
ATOM     19  C   LIG    1       -1.313   0.592   1.095  0.00  0.00    +0.181 C 
BRANCH  19  21
ATOM     20  C   LIG    1       -3.496   1.237   0.079  0.00  0.00    +0.097 C 
ATOM     21  N   LIG    1       -2.445   0.194   0.246  0.00  0.00    -0.286 NA
ATOM     22  C   LIG    1       -2.056  -0.379  -1.052  0.00  0.00    +0.103 C 
ATOM     23  C   LIG    1       -3.262  -1.067  -1.765  0.00  0.00    +0.065 C 
ATOM     24  C   LIG    1       -3.264  -2.574  -1.492  0.00  0.00    +0.025 C 
ATOM     25  N   LIG    1       -4.584  -0.529  -1.362  0.00  0.00    -0.311 NA
ATOM     26  H   LIG    1       -4.815  -0.957  -0.462  0.00  0.00    +0.122 HD
ATOM     27  C   LIG    1       -4.460   0.918  -1.111  0.00  0.00    +0.102 C 
BRANCH  20  28
ATOM     28  C   LIG    1       -2.999   2.701  -0.049  0.00  0.00    +0.179 C 
BRANCH  28  30
ATOM     29  C   LIG    1       -4.798   3.943   0.901  0.00  0.00    +0.194 C 
ATOM     30  O   LIG    1       -4.053   3.641  -0.273  0.00  0.00    -0.381 OA
ENDBRANCH  28  30
ENDBRANCH  20  28
ENDBRANCH  19  21
ENDBRANCH   1  19
TORSDOF 4