REMARK  Name = BDB002439
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.742  -0.166  -0.612  0.00  0.00    +0.031 A 
ATOM      2  C   LIG    1        0.039   0.205   0.535  0.00  0.00    +0.070 A 
ATOM      3  C   LIG    1       -1.334  -0.046   0.634  0.00  0.00    +0.142 A 
ATOM      4  C   LIG    1       -2.053  -0.691  -0.370  0.00  0.00    +0.036 A 
ATOM      5  C   LIG    1       -3.485  -0.902  -0.159  0.00  0.00    +0.058 A 
ATOM      6  C   LIG    1       -4.069  -0.487   0.968  0.00  0.00    +0.112 A 
ATOM      7  C   LIG    1       -3.318   0.188   2.031  0.00  0.00    +0.339 A 
ATOM      8  O   LIG    1       -3.882   0.557   3.054  0.00  0.00    -0.245 OA
ATOM      9 CL   LIG    1       -4.440  -1.687  -1.364  0.00  0.00    -0.083 Cl
ATOM     10  C   LIG    1       -1.344  -1.100  -1.502  0.00  0.00    +0.015 A 
ATOM     11  O   LIG    1       -1.964   0.384   1.821  0.00  0.00    -0.422 OA
ATOM     12  C   LIG    1        0.033  -0.851  -1.610  0.00  0.00    +0.024 A 
ENDROOT
BRANCH   1  13
ATOM     13  N   LIG    1        2.123  -0.018  -0.761  0.00  0.00    -0.344 N 
ATOM     14  H   LIG    1        2.393   0.029  -1.742  0.00  0.00    +0.146 HD
BRANCH  13  16
ATOM     15  C   LIG    1        4.311   0.959  -0.334  0.00  0.00    +0.024 C 
ATOM     16  C   LIG    1        2.848   0.929   0.078  0.00  0.00    +0.098 C 
ENDBRANCH  13  16
ENDBRANCH   1  13
TORSDOF 2