REMARK  Name = BDB031229
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.048  -0.259   0.238  0.00  0.00    -0.008 A 
ATOM      2  C   LIG    1       -0.790   0.352  -0.789  0.00  0.00    +0.037 A 
ATOM      3  C   LIG    1       -2.162   0.291  -0.698  0.00  0.00    +0.067 A 
ATOM      4  C   LIG    1       -2.813  -0.346   0.355  0.00  0.00    +0.067 A 
ATOM      5  N   LIG    1       -4.182  -0.229   0.147  0.00  0.00    -0.306 N 
ATOM      6  H   LIG    1       -4.923  -0.583   0.729  0.00  0.00    +0.170 HD
ATOM      7  C   LIG    1       -4.398   0.483  -1.042  0.00  0.00    +0.325 A 
ATOM      8  O   LIG    1       -5.475   0.771  -1.532  0.00  0.00    -0.247 OA
ATOM      9  C   LIG    1       -2.127  -0.957   1.374  0.00  0.00    +0.028 A 
ATOM     10  N   LIG    1       -3.132   0.799  -1.556  0.00  0.00    -0.306 N 
ATOM     11  H   LIG    1       -2.988   1.312  -2.410  0.00  0.00    +0.170 HD
ATOM     12  C   LIG    1       -0.728  -0.909   1.306  0.00  0.00    +0.011 A 
ENDROOT
BRANCH   1  16
ATOM     13  C   LIG    1        5.084   0.999  -0.132  0.00  0.00    +0.073 C 
ATOM     14  C   LIG    1        3.780   0.309   0.066  0.00  0.00    +0.076 A 
ATOM     15  S   LIG    1        2.311   1.160  -0.191  0.00  0.00    -0.072 S 
ATOM     16  C   LIG    1        1.419  -0.253   0.220  0.00  0.00    +0.039 A 
ATOM     17  C   LIG    1        2.311  -1.265   0.527  0.00  0.00    +0.127 A 
ATOM     18  N   LIG    1        3.652  -0.945   0.438  0.00  0.00    -0.252 NA
ENDBRANCH   1  16
TORSDOF 1