REMARK  Name = BDB006865
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.023  -1.106  -0.321  0.00  0.00    +0.234 C 
ATOM      2  N   LIG    1       -1.355  -0.739  -0.167  0.00  0.00    -0.269 N 
ATOM      3  C   LIG    1       -1.994   0.495   0.062  0.00  0.00    +0.043 A 
ATOM      4  C   LIG    1       -3.378   0.299   0.238  0.00  0.00    -0.000 A 
ATOM      5  C   LIG    1       -4.212   1.389   0.495  0.00  0.00    +0.048 A 
ATOM      6  C   LIG    1       -3.668   2.673   0.545  0.00  0.00    +0.040 A 
ATOM      7  C   LIG    1       -2.302   2.856   0.341  0.00  0.00    +0.044 A 
ATOM      8 CL   LIG    1       -1.645   4.448   0.390  0.00  0.00    -0.083 Cl
ATOM      9 CL   LIG    1       -5.902   1.233   0.781  0.00  0.00    -0.083 Cl
ATOM     10  C   LIG    1       -3.726  -1.177   0.150  0.00  0.00    +0.009 C 
ATOM     11  C   LIG    1       -4.075  -1.747   1.533  0.00  0.00    +0.017 C 
ATOM     12  C   LIG    1       -4.824  -1.511  -0.867  0.00  0.00    +0.017 C 
ATOM     13  C   LIG    1       -1.456   1.773   0.097  0.00  0.00    +0.044 A 
ATOM     14  C   LIG    1       -2.384  -1.768  -0.340  0.00  0.00    +0.124 C 
ATOM     15  O   LIG    1        0.247  -2.246  -0.716  0.00  0.00    -0.274 OA
ENDROOT
BRANCH   1  16
ATOM     16  C   LIG    1        1.069  -0.079   0.022  0.00  0.00    +0.181 C 
BRANCH  16  23
ATOM     17  C   LIG    1        5.091   2.118   0.451  0.00  0.00    +0.025 C 
ATOM     18  C   LIG    1        4.195   1.081  -0.227  0.00  0.00    +0.065 C 
ATOM     19  N   LIG    1        5.017   0.191  -1.070  0.00  0.00    -0.311 NA
ATOM     20  H   LIG    1        5.982   0.172  -0.744  0.00  0.00    +0.122 HD
ATOM     21  C   LIG    1        4.502  -1.188  -1.075  0.00  0.00    +0.096 C 
ATOM     22  C   LIG    1        2.964  -1.270  -0.979  0.00  0.00    +0.100 C 
ATOM     23  N   LIG    1        2.409  -0.673   0.261  0.00  0.00    -0.291 NA
ATOM     24  C   LIG    1        3.339   0.327   0.827  0.00  0.00    +0.103 C 
ENDBRANCH  16  23
ENDBRANCH   1  16
TORSDOF 2