REMARK  Name = BDB032865
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.568   0.233  -0.498  0.00  0.00    +0.251 C 
ATOM      2  N   LIG    1       -0.258   0.552  -0.223  0.00  0.00    -0.261 N 
ATOM      3  H   LIG    1       -0.039   1.364   0.338  0.00  0.00    +0.157 HD
ATOM      4  O   LIG    1       -1.977  -0.809  -1.001  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   1   6
ATOM      5  C   LIG    1       -3.860   0.853   0.380  0.00  0.00    +0.046 A 
ATOM      6  C   LIG    1       -2.577   1.254  -0.065  0.00  0.00    +0.058 A 
ATOM      7  C   LIG    1       -2.241   2.621  -0.108  0.00  0.00    +0.015 A 
ATOM      8  C   LIG    1       -3.148   3.583   0.331  0.00  0.00    +0.001 A 
ATOM      9  C   LIG    1       -4.394   3.191   0.805  0.00  0.00    +0.002 A 
ATOM     10  C   LIG    1       -4.750   1.839   0.824  0.00  0.00    +0.024 A 
BRANCH   5  13
ATOM     11  C   LIG    1       -5.384  -2.606   0.512  0.00  0.00    +0.109 C 
ATOM     12  C   LIG    1       -5.369  -1.123   0.790  0.00  0.00    +0.214 C 
ATOM     13  N   LIG    1       -4.210  -0.519   0.346  0.00  0.00    -0.285 N 
ATOM     14  H   LIG    1       -3.524  -1.123  -0.112  0.00  0.00    +0.155 HD
ATOM     15  O   LIG    1       -6.298  -0.586   1.382  0.00  0.00    -0.276 OA
ENDBRANCH   5  13
ENDBRANCH   1   6
BRANCH   2  16
ATOM     16  C   LIG    1        0.856  -0.189  -0.527  0.00  0.00    +0.167 A 
ATOM     17  S   LIG    1        0.807  -1.616  -1.448  0.00  0.00    -0.029 S 
ATOM     18  C   LIG    1        2.503  -1.764  -1.304  0.00  0.00    +0.174 A 
ATOM     19  C   LIG    1        3.002  -0.717  -0.547  0.00  0.00    +0.109 A 
ATOM     20  N   LIG    1        2.043   0.202  -0.128  0.00  0.00    -0.222 NA
BRANCH  19  21
ATOM     21  C   LIG    1        4.403  -0.499  -0.206  0.00  0.00    +0.003 A 
ATOM     22  C   LIG    1        4.957   0.777  -0.379  0.00  0.00    +0.010 A 
ATOM     23  C   LIG    1        6.293   1.021  -0.051  0.00  0.00    +0.001 A 
ATOM     24  C   LIG    1        7.082  -0.005   0.463  0.00  0.00    +0.000 A 
ATOM     25  C   LIG    1        6.537  -1.273   0.655  0.00  0.00    +0.001 A 
ATOM     26  C   LIG    1        5.201  -1.520   0.327  0.00  0.00    +0.010 A 
ENDBRANCH  19  21
BRANCH  18  27
ATOM     27  N   LIG    1        3.315  -2.830  -1.923  0.00  0.00    -0.021 NA
ATOM     28  O   LIG    1        2.674  -3.722  -2.489  0.00  0.00    -0.143 OA
ENDBRANCH  18  27
ENDBRANCH   2  16
TORSDOF 5