REMARK  Name = BDB044923
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.034  -1.423  -1.467  0.00  0.00    +0.090 C 
ENDROOT
BRANCH   1   9
ATOM      2  C   LIG    1       -2.972   2.634  -1.814  0.00  0.00    +0.149 C 
ATOM      3  N   LIG    1       -2.426   1.379  -1.348  0.00  0.00    -0.349 N 
ATOM      4  C   LIG    1       -2.901   0.661  -0.272  0.00  0.00    +0.049 A 
ATOM      5  C   LIG    1       -2.104  -0.481  -0.162  0.00  0.00    +0.003 A 
ATOM      6  C   LIG    1       -2.377  -1.400   0.875  0.00  0.00    +0.010 A 
ATOM      7  C   LIG    1       -3.431  -1.152   1.760  0.00  0.00    +0.001 A 
ATOM      8  C   LIG    1       -4.211  -0.007   1.629  0.00  0.00    +0.002 A 
ATOM      9  C   LIG    1       -1.121  -0.425  -1.203  0.00  0.00    -0.016 A 
ATOM     10  C   LIG    1       -3.962   0.919   0.612  0.00  0.00    +0.026 A 
ATOM     11  C   LIG    1       -1.357   0.738  -1.911  0.00  0.00    +0.090 A 
ENDBRANCH   1   9
BRANCH   1  12
ATOM     12  C   LIG    1        1.269  -1.070  -0.817  0.00  0.00    +0.021 A 
ATOM     13  N   LIG    1        1.344  -0.402   0.384  0.00  0.00    -0.358 N 
ATOM     14  H   LIG    1        0.547  -0.069   0.910  0.00  0.00    +0.166 HD
ATOM     15  C   LIG    1        2.656  -0.222   0.758  0.00  0.00    +0.047 A 
ATOM     16  C   LIG    1        3.447  -0.797  -0.235  0.00  0.00    -0.000 A 
ATOM     17  C   LIG    1        4.848  -0.752  -0.097  0.00  0.00    +0.010 A 
ATOM     18  C   LIG    1        5.405  -0.133   1.028  0.00  0.00    +0.001 A 
ATOM     19  C   LIG    1        4.589   0.434   2.005  0.00  0.00    +0.002 A 
ATOM     20  C   LIG    1        3.196   0.401   1.888  0.00  0.00    +0.026 A 
ATOM     21  C   LIG    1        2.566  -1.326  -1.218  0.00  0.00    +0.031 A 
ENDBRANCH   1  12
TORSDOF 2