REMARK  Name = BDB003905
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.103  -0.441   0.153  0.00  0.00    +0.169 A 
ATOM      2  S   LIG    1        0.894   0.336   1.318  0.00  0.00    -0.052 S 
ATOM      3  C   LIG    1        2.260   0.189   0.286  0.00  0.00    +0.043 A 
ATOM      4  C   LIG    1        1.860  -0.438  -0.891  0.00  0.00    +0.080 A 
ATOM      5  C   LIG    1        2.816  -0.669  -1.902  0.00  0.00    +0.031 A 
ATOM      6  C   LIG    1        4.144  -0.270  -1.712  0.00  0.00    +0.035 A 
ATOM      7  C   LIG    1        4.518   0.357  -0.520  0.00  0.00    +0.127 A 
ATOM      8  C   LIG    1        3.587   0.601   0.504  0.00  0.00    +0.050 A 
ATOM      9  N   LIG    1        0.525  -0.778  -0.948  0.00  0.00    -0.224 NA
ENDROOT
BRANCH   1  16
ATOM     10  O   LIG    1       -4.846   0.410  -1.470  0.00  0.00    -0.275 OA
ATOM     11  C   LIG    1       -4.221   0.053  -0.475  0.00  0.00    +0.220 C 
ATOM     12  N   LIG    1       -3.598  -1.165  -0.430  0.00  0.00    -0.240 N 
ATOM     13  H   LIG    1       -3.915  -1.657  -1.262  0.00  0.00    +0.159 HD
ATOM     14  C   LIG    1       -2.232  -1.204  -0.584  0.00  0.00    +0.314 C 
ATOM     15  O   LIG    1       -1.825  -1.761  -1.602  0.00  0.00    -0.252 OA
ATOM     16  N   LIG    1       -1.468  -0.624   0.430  0.00  0.00    -0.234 N 
ATOM     17  C   LIG    1       -2.123  -0.205   1.670  0.00  0.00    +0.117 C 
ATOM     18  C   LIG    1       -2.897   1.089   1.461  0.00  0.00    +0.029 C 
ATOM     19  C   LIG    1       -4.250   0.846   0.813  0.00  0.00    +0.098 C 
ENDBRANCH   1  16
BRANCH   7  20
ATOM     20  N   LIG    1        5.916   0.773  -0.329  0.00  0.00    +0.056 N 
ATOM     21  O   LIG    1        6.716   0.545  -1.246  0.00  0.00    -0.126 OA
ATOM     22  O   LIG    1        6.209   1.328   0.740  0.00  0.00    -0.126 OA
ENDBRANCH   7  20
TORSDOF 2