REMARK  Name = BDB009022
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.274  -1.695   0.778  0.00  0.00    +0.034 A 
ATOM      2  C   LIG    1       -0.688  -2.029  -0.188  0.00  0.00    +0.027 A 
ATOM      3  C   LIG    1       -2.022  -2.292   0.170  0.00  0.00    -0.040 A 
ATOM      4  C   LIG    1       -2.376  -2.251   1.523  0.00  0.00    +0.004 A 
ATOM      5  C   LIG    1       -1.427  -1.920   2.488  0.00  0.00    +0.002 A 
ATOM      6  C   LIG    1       -0.110  -1.638   2.117  0.00  0.00    +0.023 A 
ENDROOT
BRANCH   1   8
ATOM      7  C   LIG    1        2.689  -1.079   1.073  0.00  0.00    +0.220 C 
ATOM      8  N   LIG    1        1.583  -1.439   0.319  0.00  0.00    -0.285 N 
ATOM      9  H   LIG    1        1.725  -1.537  -0.678  0.00  0.00    +0.155 HD
ATOM     10  O   LIG    1        2.717  -0.918   2.288  0.00  0.00    -0.275 OA
BRANCH   7  16
ATOM     11  C   LIG    1        6.422   3.382   1.875  0.00  0.00    +0.109 C 
ATOM     12  C   LIG    1        5.993   2.920   0.504  0.00  0.00    +0.212 C 
ATOM     13  N   LIG    1        5.482   1.633   0.406  0.00  0.00    -0.302 N 
ATOM     14  C   LIG    1        5.004   1.161  -0.889  0.00  0.00    +0.108 C 
ATOM     15  C   LIG    1        3.744   0.317  -0.738  0.00  0.00    +0.032 C 
ATOM     16  C   LIG    1        3.940  -0.882   0.208  0.00  0.00    +0.078 C 
ATOM     17  C   LIG    1        5.201  -0.740   1.075  0.00  0.00    +0.032 C 
ATOM     18  C   LIG    1        5.413   0.700   1.532  0.00  0.00    +0.108 C 
ATOM     19  O   LIG    1        6.108   3.668  -0.467  0.00  0.00    -0.276 OA
ENDBRANCH   7  16
ENDBRANCH   1   8
BRANCH   3  20
ATOM     20  C   LIG    1       -3.037  -2.659  -0.888  0.00  0.00    +0.092 C 
BRANCH  20  21
ATOM     21  C   LIG    1       -4.356  -1.901  -0.769  0.00  0.00    +0.069 A 
ATOM     22  C   LIG    1       -4.411  -0.445  -1.115  0.00  0.00    -0.016 A 
ATOM     23  C   LIG    1       -3.194   0.279  -1.620  0.00  0.00    +0.037 C 
ATOM     24  C   LIG    1       -3.515   1.641  -2.245  0.00  0.00    +0.005 C 
ATOM     25  C   LIG    1       -4.511   2.414  -1.389  0.00  0.00    +0.005 C 
ATOM     26  C   LIG    1       -5.816   1.633  -1.224  0.00  0.00    +0.041 C 
ATOM     27  C   LIG    1       -5.596   0.169  -0.956  0.00  0.00    +0.023 A 
ATOM     28  C   LIG    1       -6.777  -0.600  -0.487  0.00  0.00    +0.268 A 
ATOM     29  O   LIG    1       -7.877  -0.075  -0.347  0.00  0.00    -0.266 OA
ATOM     30  N   LIG    1       -6.563  -1.926  -0.230  0.00  0.00    -0.243 N 
ATOM     31  H   LIG    1       -7.357  -2.469   0.093  0.00  0.00    +0.192 HD
ATOM     32  N   LIG    1       -5.381  -2.585  -0.355  0.00  0.00    -0.175 NA
ENDBRANCH  20  21
ENDBRANCH   3  20
TORSDOF 4