REMARK  Name = BDB034815
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.199   0.082   0.283  0.00  0.00    +0.165 A 
ATOM      2  S   LIG    1        0.888   1.210   0.956  0.00  0.00    -0.052 S 
ATOM      3  C   LIG    1        2.200   0.364   0.223  0.00  0.00    +0.041 A 
ATOM      4  C   LIG    1        1.692  -0.724  -0.486  0.00  0.00    +0.080 A 
ATOM      5  C   LIG    1        2.593  -1.558  -1.168  0.00  0.00    +0.029 A 
ATOM      6  C   LIG    1        3.967  -1.280  -1.119  0.00  0.00    +0.006 A 
ATOM      7  C   LIG    1        4.492  -0.187  -0.409  0.00  0.00    -0.043 A 
ATOM      8  C   LIG    1        3.578   0.643   0.271  0.00  0.00    +0.021 A 
ATOM      9  N   LIG    1        0.317  -0.870  -0.443  0.00  0.00    -0.225 NA
ENDROOT
BRANCH   1  11
ATOM     10  C   LIG    1       -2.536  -0.485   0.164  0.00  0.00    +0.223 C 
ATOM     11  N   LIG    1       -1.509   0.328   0.593  0.00  0.00    -0.264 N 
ATOM     12  H   LIG    1       -1.684   1.130   1.179  0.00  0.00    +0.157 HD
ATOM     13  O   LIG    1       -2.430  -1.518  -0.485  0.00  0.00    -0.275 OA
BRANCH  10  16
ATOM     14  N   LIG    1       -6.226   0.055   0.173  0.00  0.00    -0.269 N 
ATOM     15  C   LIG    1       -5.038  -0.841   0.102  0.00  0.00    +0.129 C 
ATOM     16  C   LIG    1       -3.891   0.016   0.630  0.00  0.00    +0.095 C 
ATOM     17  C   LIG    1       -4.250   1.394   0.090  0.00  0.00    +0.034 C 
ATOM     18  C   LIG    1       -5.762   1.460   0.266  0.00  0.00    +0.117 C 
BRANCH  14  20
ATOM     19  N   LIG    1       -8.548  -0.618  -0.449  0.00  0.00    -0.174 NA
ATOM     20  C   LIG    1       -7.470  -0.312  -0.161  0.00  0.00    +0.169 C 
ENDBRANCH  14  20
ENDBRANCH  10  16
ENDBRANCH   1  11
BRANCH   7  21
ATOM     21  C   LIG    1        5.993   0.048  -0.403  0.00  0.00    +0.019 C 
ATOM     22  C   LIG    1        6.698   0.585   0.820  0.00  0.00    +0.009 C 
ATOM     23  C   LIG    1        6.568   1.445  -0.405  0.00  0.00    +0.009 C 
ENDBRANCH   7  21
TORSDOF 4