REMARK  Name = BDB030302
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.710   0.002   0.575  0.00  0.00    +0.039 A 
ATOM      2  C   LIG    1        0.389   0.387   1.355  0.00  0.00    +0.039 A 
ATOM      3  C   LIG    1        1.681   0.229   0.855  0.00  0.00    +0.051 A 
ATOM      4  N   LIG    1        2.776   0.629   1.650  0.00  0.00    -0.322 N 
ATOM      5  H   LIG    1        2.619   1.017   2.571  0.00  0.00    +0.169 HD
ATOM      6  C   LIG    1        4.103   0.526   1.273  0.00  0.00    +0.257 A 
ATOM      7  C   LIG    1        4.347  -0.038  -0.050  0.00  0.00    +0.054 A 
ATOM      8  C   LIG    1        3.292  -0.438  -0.850  0.00  0.00    +0.034 A 
ATOM      9  S   LIG    1        3.818  -1.062  -2.344  0.00  0.00    -0.096 S 
ATOM     10  C   LIG    1        5.463  -0.808  -1.942  0.00  0.00    +0.046 A 
ATOM     11  C   LIG    1        5.607  -0.256  -0.688  0.00  0.00    +0.021 A 
ATOM     12  O   LIG    1        5.005   0.895   2.019  0.00  0.00    -0.267 OA
ATOM     13  C   LIG    1        1.896  -0.322  -0.426  0.00  0.00    +0.013 A 
ATOM     14  C   LIG    1        0.795  -0.720  -1.191  0.00  0.00    +0.012 A 
ATOM     15  C   LIG    1       -0.504  -0.563  -0.691  0.00  0.00    +0.014 A 
ENDROOT
BRANCH   1  17
ATOM     16  O   LIG    1       -2.224   0.178   2.365  0.00  0.00    -0.270 OA
ATOM     17  C   LIG    1       -2.072   0.183   1.148  0.00  0.00    +0.244 C 
ATOM     18  N   LIG    1       -3.095   0.386   0.240  0.00  0.00    -0.308 N 
ATOM     19  H   LIG    1       -2.871   0.563  -0.730  0.00  0.00    +0.149 HD
BRANCH  18  20
ATOM     20  C   LIG    1       -4.442   0.612   0.662  0.00  0.00    +0.073 C 
ATOM     21  C   LIG    1       -5.572   0.575  -0.330  0.00  0.00    +0.024 C 
ATOM     22  C   LIG    1       -5.430  -0.520   0.686  0.00  0.00    +0.024 C 
ENDBRANCH  18  20
ENDBRANCH   1  17
TORSDOF 2