REMARK  Name = BDB049193
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.870   0.246   4.003  0.00  0.00    +0.105 C 
ATOM      2  N   LIG    1       -1.337  -0.586   2.901  0.00  0.00    -0.303 NA
ATOM      3  C   LIG    1       -1.752   0.220   1.746  0.00  0.00    +0.092 C 
ATOM      4  C   LIG    1       -2.004  -0.641   0.492  0.00  0.00    +0.035 C 
ATOM      5  C   LIG    1       -0.771  -1.475   0.082  0.00  0.00    +0.033 C 
ATOM      6  C   LIG    1        0.269  -1.635   1.200  0.00  0.00    +0.085 C 
ATOM      7  C   LIG    1       -0.422  -1.695   2.585  0.00  0.00    +0.106 C 
ENDROOT
BRANCH   4   8
ATOM      8  C   LIG    1       -2.524   0.191  -0.670  0.00  0.00    -0.043 A 
ATOM      9  C   LIG    1       -3.789  -0.076  -1.212  0.00  0.00    +0.004 A 
ATOM     10  C   LIG    1       -4.280   0.679  -2.279  0.00  0.00    +0.000 A 
ATOM     11  C   LIG    1       -3.514   1.710  -2.817  0.00  0.00    +0.000 A 
ATOM     12  C   LIG    1       -2.255   1.986  -2.290  0.00  0.00    +0.000 A 
ATOM     13  C   LIG    1       -1.762   1.233  -1.223  0.00  0.00    +0.004 A 
ENDBRANCH   4   8
BRANCH   6  14
ATOM     14  N   LIG    1        1.246  -0.542   1.178  0.00  0.00    -0.337 N 
ATOM     15  H   LIG    1        0.976   0.272   1.732  0.00  0.00    +0.146 HD
BRANCH  14  16
ATOM     16  C   LIG    1        2.193  -0.243   0.204  0.00  0.00    +0.071 A 
ATOM     17  C   LIG    1        2.784   0.947   0.017  0.00  0.00    +0.129 A 
ATOM     18 CL   LIG    1        2.371   2.300   1.023  0.00  0.00    -0.076 Cl
ATOM     19  C   LIG    1        3.788   1.188  -1.059  0.00  0.00    +0.287 A 
ATOM     20  O   LIG    1        4.280   2.303  -1.230  0.00  0.00    -0.265 OA
ATOM     21  N   LIG    1        4.111   0.080  -1.835  0.00  0.00    -0.231 N 
ATOM     22  C   LIG    1        5.057   0.204  -2.929  0.00  0.00    +0.176 C 
ATOM     23  N   LIG    1        3.526  -1.153  -1.691  0.00  0.00    -0.175 NA
ATOM     24  C   LIG    1        2.652  -1.286  -0.749  0.00  0.00    +0.157 A 
ENDBRANCH  14  16
ENDBRANCH   6  14
TORSDOF 3