REMARK  Name = BDB063880
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        0.478  -3.795   0.521  0.00  0.00    -0.268 OA
ATOM      2  C   LIG    1        0.311  -2.613   0.300  0.00  0.00    +0.269 C 
ATOM      3  C   LIG    1        1.332  -1.541   0.134  0.00  0.00    +0.130 C 
ATOM      4  C   LIG    1        2.641  -1.783   0.278  0.00  0.00    +0.041 C 
ATOM      5  N   LIG    1        0.702  -0.349  -0.162  0.00  0.00    -0.213 NA
ATOM      6  C   LIG    1       -0.563  -0.642  -0.151  0.00  0.00    +0.188 C 
ATOM      7  N   LIG    1       -0.849  -1.932   0.124  0.00  0.00    -0.253 N 
ATOM      8  H   LIG    1       -1.758  -2.367   0.068  0.00  0.00    +0.158 HD
ENDROOT
BRANCH   4   9
ATOM      9  C   LIG    1        3.732  -0.804   0.150  0.00  0.00    -0.022 A 
ATOM     10  C   LIG    1        4.850  -0.946   0.989  0.00  0.00    +0.025 A 
ATOM     11  C   LIG    1        5.918  -0.039   0.860  0.00  0.00    +0.039 A 
ATOM     12  C   LIG    1        5.904   0.988  -0.086  0.00  0.00    +0.078 A 
ATOM     13  N   LIG    1        7.026   1.803  -0.097  0.00  0.00    -0.247 NA
ATOM     14  C   LIG    1        7.868   1.397   0.824  0.00  0.00    +0.157 A 
ATOM     15  C   LIG    1        4.787   1.109  -0.934  0.00  0.00    +0.029 A 
ATOM     16  S   LIG    1        7.392   0.039   1.750  0.00  0.00    -0.075 S 
ATOM     17  C   LIG    1        3.718   0.210  -0.811  0.00  0.00    +0.010 A 
ENDBRANCH   4   9
BRANCH   6  18
ATOM     18  N   LIG    1       -1.539   0.273  -0.423  0.00  0.00    -0.311 N 
ATOM     19  H   LIG    1       -1.065   1.152  -0.634  0.00  0.00    +0.149 HD
BRANCH  18  20
ATOM     20  C   LIG    1       -2.658   0.506   0.515  0.00  0.00    +0.101 C 
ATOM     21  C   LIG    1       -3.670  -0.677   0.499  0.00  0.00    +0.135 C 
ATOM     22  C   LIG    1       -5.122  -0.216   0.577  0.00  0.00    +0.033 C 
ATOM     23  C   LIG    1       -5.492   0.737  -0.562  0.00  0.00    +0.003 C 
ATOM     24  C   LIG    1       -4.365   1.698  -0.944  0.00  0.00    +0.002 C 
ATOM     25  C   LIG    1       -3.332   1.848   0.167  0.00  0.00    +0.025 C 
BRANCH  21  26
ATOM     26  O   LIG    1       -3.518  -1.485  -0.678  0.00  0.00    -0.390 OA
ATOM     27  H   LIG    1       -2.985  -0.952  -1.304  0.00  0.00    +0.210 HD
ENDBRANCH  21  26
ENDBRANCH  18  20
ENDBRANCH   6  18
TORSDOF 4