REMARK  Name = BDB063962
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        1.000  -3.295  -2.384  0.00  0.00    -0.268 OA
ATOM      2  C   LIG    1        0.670  -2.378  -1.661  0.00  0.00    +0.269 C 
ATOM      3  C   LIG    1        1.507  -1.545  -0.756  0.00  0.00    +0.130 C 
ATOM      4  C   LIG    1        2.833  -1.709  -0.669  0.00  0.00    +0.041 C 
ATOM      5  N   LIG    1        0.703  -0.640  -0.097  0.00  0.00    -0.213 NA
ATOM      6  C   LIG    1       -0.492  -0.870  -0.550  0.00  0.00    +0.188 C 
ATOM      7  N   LIG    1       -0.569  -1.857  -1.471  0.00  0.00    -0.253 N 
ATOM      8  H   LIG    1       -1.395  -2.247  -1.886  0.00  0.00    +0.158 HD
ENDROOT
BRANCH   4   9
ATOM      9  C   LIG    1        3.760  -0.939   0.176  0.00  0.00    -0.022 A 
ATOM     10  C   LIG    1        5.053  -0.693  -0.314  0.00  0.00    +0.025 A 
ATOM     11  C   LIG    1        5.964   0.013   0.493  0.00  0.00    +0.039 A 
ATOM     12  C   LIG    1        5.625   0.464   1.770  0.00  0.00    +0.078 A 
ATOM     13  N   LIG    1        6.626   1.144   2.446  0.00  0.00    -0.247 NA
ATOM     14  C   LIG    1        7.699   1.205   1.692  0.00  0.00    +0.157 A 
ATOM     15  C   LIG    1        4.332   0.196   2.257  0.00  0.00    +0.029 A 
ATOM     16  S   LIG    1        7.592   0.467   0.151  0.00  0.00    -0.075 S 
ATOM     17  C   LIG    1        3.418  -0.506   1.460  0.00  0.00    +0.010 A 
ENDBRANCH   4   9
BRANCH   6  18
ATOM     18  N   LIG    1       -1.585  -0.186  -0.134  0.00  0.00    -0.308 N 
ATOM     19  H   LIG    1       -1.344   0.548   0.529  0.00  0.00    +0.149 HD
BRANCH  18  20
ATOM     20  CA  LIG    1       -2.720   0.170  -0.981  0.00  0.00    +0.128 C 
BRANCH  20  21
ATOM     21  C   LIG    1       -3.905   0.501  -0.076  0.00  0.00    -0.025 A 
ATOM     22  C   LIG    1       -4.295  -0.433   0.905  0.00  0.00    +0.005 A 
ATOM     23  C   LIG    1       -5.380  -0.189   1.749  0.00  0.00    +0.000 A 
ATOM     24  C   LIG    1       -6.104   0.992   1.625  0.00  0.00    +0.000 A 
ATOM     25  C   LIG    1       -5.745   1.924   0.655  0.00  0.00    +0.000 A 
ATOM     26  C   LIG    1       -4.658   1.680  -0.190  0.00  0.00    +0.005 A 
ENDBRANCH  20  21
BRANCH  20  27
ATOM     27  C   LIG    1       -2.285   1.280  -1.977  0.00  0.00    +0.182 C 
BRANCH  27  28
ATOM     28  O   LIG    1       -3.228   1.473  -3.031  0.00  0.00    -0.393 OA
ATOM     29  H   LIG    1       -3.226   0.676  -3.589  0.00  0.00    +0.209 HD
ENDBRANCH  27  28
ENDBRANCH  20  27
ENDBRANCH  18  20
ENDBRANCH   6  18
TORSDOF 6