REMARK  Name = BDB052534
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.584   0.163   0.044  0.00  0.00    -0.284 N 
ATOM      2  H   LIG    1        1.011   1.046  -0.194  0.00  0.00    +0.155 HD
ENDROOT
BRANCH   1   5
ATOM      3  C   LIG    1        3.844  -1.233   0.045  0.00  0.00    +0.084 A 
ATOM      4  N   LIG    1        2.827  -0.349  -0.041  0.00  0.00    -0.214 NA
ATOM      5  C   LIG    1        1.580  -0.802   0.160  0.00  0.00    +0.220 A 
ATOM      6  N   LIG    1        1.305  -2.081   0.445  0.00  0.00    -0.223 NA
ATOM      7  C   LIG    1        2.338  -2.935   0.531  0.00  0.00    +0.116 A 
ATOM      8  C   LIG    1        3.643  -2.564   0.339  0.00  0.00    +0.049 A 
BRANCH   3  12
ATOM      9  C   LIG    1        8.874  -0.323  -1.344  0.00  0.00    +0.073 C 
ATOM     10  C   LIG    1        7.481  -0.223  -0.830  0.00  0.00    +0.076 A 
ATOM     11  S   LIG    1        6.426  -1.566  -0.936  0.00  0.00    -0.071 S 
ATOM     12  C   LIG    1        5.171  -0.652  -0.187  0.00  0.00    +0.060 A 
ATOM     13  C   LIG    1        5.650   0.625   0.085  0.00  0.00    +0.055 A 
ATOM     14  C   LIG    1        4.908   1.747   0.725  0.00  0.00    +0.067 C 
ATOM     15  N   LIG    1        6.971   0.854  -0.278  0.00  0.00    -0.249 NA
ENDBRANCH   3  12
ENDBRANCH   1   5
BRANCH   1  16
ATOM     16  C   LIG    1       -0.806   0.149   0.183  0.00  0.00    +0.034 A 
ATOM     17  C   LIG    1       -1.517   1.334  -0.047  0.00  0.00    +0.025 A 
ATOM     18  C   LIG    1       -2.915   1.391   0.071  0.00  0.00    +0.025 A 
ATOM     19  C   LIG    1       -3.663   0.264   0.423  0.00  0.00    +0.030 A 
ATOM     20  C   LIG    1       -2.944  -0.918   0.653  0.00  0.00    +0.025 A 
ATOM     21  C   LIG    1       -1.547  -0.976   0.536  0.00  0.00    +0.025 A 
BRANCH  19  22
ATOM     22  N   LIG    1       -5.056   0.260   0.550  0.00  0.00    -0.326 N 
ATOM     23  C   LIG    1       -5.793   1.524   0.748  0.00  0.00    +0.133 C 
ATOM     24  C   LIG    1       -6.528   1.924  -0.539  0.00  0.00    +0.178 C 
ATOM     25  O   LIG    1       -7.500   0.955  -0.969  0.00  0.00    -0.377 OA
ATOM     26  C   LIG    1       -7.226  -0.372  -0.491  0.00  0.00    +0.178 C 
ATOM     27  C   LIG    1       -5.724  -0.683  -0.384  0.00  0.00    +0.133 C 
ENDBRANCH  19  22
ENDBRANCH   1  16
TORSDOF 4