REMARK  Name = BDB001002
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.707  -1.701  -0.238  0.00  0.00    +0.067 C 
ATOM      2  C   LIG    1        1.407  -1.002  -0.123  0.00  0.00    +0.060 A 
ATOM      3  C   LIG    1        1.146   0.357  -0.110  0.00  0.00    +0.043 A 
ATOM      4  C   LIG    1        2.057   1.523  -0.205  0.00  0.00    +0.066 C 
ATOM      5  N   LIG    1       -0.226   0.461   0.017  0.00  0.00    -0.299 N 
ATOM      6  C   LIG    1       -0.728  -0.838   0.075  0.00  0.00    +0.180 A 
ATOM      7  C   LIG    1       -2.145  -0.977   0.209  0.00  0.00    +0.161 A 
ATOM      8  C   LIG    1       -2.931   0.117   0.273  0.00  0.00    +0.070 A 
ATOM      9  C   LIG    1       -2.360   1.451   0.208  0.00  0.00    +0.061 A 
ATOM     10 CL   LIG    1       -3.409   2.809   0.295  0.00  0.00    -0.082 Cl
ATOM     11  C   LIG    1       -1.032   1.598   0.083  0.00  0.00    +0.113 A 
ATOM     12  N   LIG    1        0.244  -1.723  -0.008  0.00  0.00    -0.229 NA
ENDROOT
BRANCH   7  13
ATOM     13  O   LIG    1       -2.622  -2.265   0.264  0.00  0.00    -0.503 OA
ATOM     14  H   LIG    1       -3.587  -2.241   0.354  0.00  0.00    +0.292 HD
ENDBRANCH   7  13
TORSDOF 1