REMARK  Name = BDB060679
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        4.459  -1.031   0.153  0.00  0.00    +0.075 A 
ATOM      2  N   LIG    1        3.160  -0.772   0.444  0.00  0.00    -0.243 NA
ATOM      3  C   LIG    1        2.748  -1.175   1.674  0.00  0.00    +0.117 A 
ATOM      4  C   LIG    1        3.593  -1.807   2.575  0.00  0.00    +0.154 A 
ATOM      5  O   LIG    1        2.931  -2.102   3.723  0.00  0.00    -0.461 OA
ATOM      6  C   LIG    1        1.655  -1.658   3.558  0.00  0.00    +0.206 A 
ATOM      7  C   LIG    1        4.922  -2.077   2.291  0.00  0.00    +0.050 A 
ATOM      8  C   LIG    1        1.480  -1.069   2.317  0.00  0.00    +0.046 A 
ATOM      9  C   LIG    1        5.349  -1.665   1.027  0.00  0.00    +0.032 A 
ENDROOT
BRANCH   1  11
ATOM     10  C   LIG    1        4.127   0.128  -2.142  0.00  0.00    +0.144 A 
ATOM     11  C   LIG    1        4.869  -0.589  -1.172  0.00  0.00    +0.038 A 
ATOM     12  C   LIG    1        6.094  -0.785  -1.778  0.00  0.00    +0.115 A 
ATOM     13  N   LIG    1        6.013  -0.201  -3.010  0.00  0.00    -0.284 N 
ATOM     14  H   LIG    1        6.726  -0.151  -3.730  0.00  0.00    +0.188 HD
ATOM     15  N   LIG    1        4.822   0.364  -3.259  0.00  0.00    -0.182 NA
ENDBRANCH   1  11
BRANCH   8  16
ATOM     16  C   LIG    1        0.219  -0.511   1.849  0.00  0.00    -0.013 A 
ATOM     17  C   LIG    1       -0.092  -0.514   0.484  0.00  0.00    +0.009 A 
ATOM     18  C   LIG    1       -1.301   0.018   0.021  0.00  0.00    +0.004 A 
ATOM     19  C   LIG    1       -2.229   0.572   0.911  0.00  0.00    -0.044 A 
ATOM     20  C   LIG    1       -1.918   0.575   2.278  0.00  0.00    +0.004 A 
ATOM     21  C   LIG    1       -0.709   0.043   2.741  0.00  0.00    +0.009 A 
BRANCH  19  22
ATOM     22  C   LIG    1       -3.550   1.152   0.434  0.00  0.00    +0.019 C 
ATOM     23  C   LIG    1       -4.500   0.037  -0.044  0.00  0.00    +0.008 C 
ATOM     24  C   LIG    1       -5.676   0.618  -0.821  0.00  0.00    +0.001 C 
ATOM     25  C   LIG    1       -5.225   1.359  -2.080  0.00  0.00    +0.000 C 
ATOM     26  C   LIG    1       -3.781   1.858  -2.018  0.00  0.00    +0.001 C 
ATOM     27  C   LIG    1       -3.377   2.280  -0.608  0.00  0.00    +0.008 C 
ENDBRANCH  19  22
ENDBRANCH   8  16
TORSDOF 3