REMARK  Name = BDB063001
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.296  -0.400  -0.380  0.00  0.00    +0.157 A 
ATOM      2  S   LIG    1        1.421  -1.872  -0.379  0.00  0.00    -0.052 S 
ATOM      3  C   LIG    1       -0.043  -1.005  -0.118  0.00  0.00    +0.045 A 
ATOM      4  C   LIG    1        0.245   0.360  -0.038  0.00  0.00    +0.122 A 
ATOM      5  C   LIG    1       -0.827   1.260   0.180  0.00  0.00    +0.144 A 
ATOM      6  C   LIG    1       -2.135   0.783   0.308  0.00  0.00    +0.063 A 
ATOM      7  C   LIG    1       -2.382  -0.583   0.222  0.00  0.00    +0.023 A 
ATOM      8 BR   LIG    1       -4.157  -1.218   0.398  0.00  0.00    -0.050 Br
ATOM      9  C   LIG    1       -1.351  -1.503   0.009  0.00  0.00    +0.032 A 
ATOM     10  N   LIG    1        1.589   0.681  -0.185  0.00  0.00    -0.221 NA
ENDROOT
BRANCH   1  11
ATOM     11  N   LIG    1        3.629  -0.378  -0.552  0.00  0.00    -0.337 N 
ATOM     12  H   LIG    1        4.074   0.485  -0.257  0.00  0.00    +0.144 HD
ATOM     13  H   LIG    1        4.144  -1.210  -0.293  0.00  0.00    +0.144 HD
ENDBRANCH   1  11
BRANCH   5  14
ATOM     14  O   LIG    1       -0.582   2.610   0.269  0.00  0.00    -0.505 OA
ATOM     15  H   LIG    1       -1.418   3.086   0.398  0.00  0.00    +0.292 HD
ENDBRANCH   5  14
TORSDOF 2