REMARK  Name = BDB003074
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.333   0.094  -0.774  0.00  0.00    +0.295 C 
ATOM      2  O   LIG    1       -0.151   0.059  -2.116  0.00  0.00    -0.380 OA
ATOM      3  N   LIG    1       -1.531   0.369  -2.095  0.00  0.00    -0.088 NA
ATOM      4  C   LIG    1       -1.936   0.213  -0.874  0.00  0.00    +0.095 C 
ATOM      5  C   LIG    1       -0.876  -0.199   0.086  0.00  0.00    +0.116 C 
ENDROOT
BRANCH   4   6
ATOM      6  C   LIG    1       -3.345   0.420  -0.466  0.00  0.00    +0.041 A 
ATOM      7  C   LIG    1       -4.283   0.927  -1.379  0.00  0.00    +0.126 A 
ATOM      8  C   LIG    1       -5.607   1.134  -0.996  0.00  0.00    +0.046 A 
ATOM      9  C   LIG    1       -6.012   0.831   0.302  0.00  0.00    +0.004 A 
ATOM     10  C   LIG    1       -5.093   0.319   1.216  0.00  0.00    +0.001 A 
ATOM     11  C   LIG    1       -3.763   0.113   0.836  0.00  0.00    +0.013 A 
BRANCH   7  12
ATOM     12  O   LIG    1       -3.977   1.247  -2.675  0.00  0.00    -0.506 OA
ATOM     13  H   LIG    1       -3.040   0.995  -2.839  0.00  0.00    +0.292 HD
ENDBRANCH   7  12
ENDBRANCH   4   6
BRANCH   1  15
ATOM     14  O   LIG    1        1.833  -1.731  -1.375  0.00  0.00    -0.272 OA
ATOM     15  C   LIG    1        1.451  -0.923  -0.534  0.00  0.00    +0.257 C 
ATOM     16  N   LIG    1        1.999  -0.853   0.736  0.00  0.00    -0.308 N 
ATOM     17  H   LIG    1        1.836  -0.025   1.293  0.00  0.00    +0.149 HD
BRANCH  16  18
ATOM     18  C   LIG    1        3.162  -1.639   1.090  0.00  0.00    +0.146 C 
BRANCH  18  19
ATOM     19  C   LIG    1        4.378  -0.794   0.876  0.00  0.00    +0.007 A 
ATOM     20  S   LIG    1        5.050   0.107   2.170  0.00  0.00    -0.100 S 
ATOM     21  C   LIG    1        6.289   0.735   1.172  0.00  0.00    +0.045 A 
ATOM     22  C   LIG    1        6.194   0.275  -0.122  0.00  0.00    +0.008 A 
ATOM     23  C   LIG    1        5.090  -0.608  -0.294  0.00  0.00    +0.013 A 
ENDBRANCH  18  19
ENDBRANCH  16  18
ENDBRANCH   1  15
TORSDOF 5