REMARK  Name = BDB009190
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.010  -1.168  -1.381  0.00  0.00    +0.037 A 
ATOM      2  C   LIG    1       -0.234  -1.749  -1.099  0.00  0.00    +0.017 A 
ATOM      3  C   LIG    1       -1.358  -1.448  -1.883  0.00  0.00    -0.041 A 
ATOM      4  C   LIG    1       -1.208  -0.581  -2.974  0.00  0.00    +0.004 A 
ATOM      5  C   LIG    1        0.034  -0.019  -3.273  0.00  0.00    +0.001 A 
ATOM      6  C   LIG    1        1.145  -0.312  -2.481  0.00  0.00    +0.013 A 
ENDROOT
BRANCH   1   9
ATOM      7  N   LIG    1        3.064  -0.475  -0.302  0.00  0.00    -0.281 N 
ATOM      8  H   LIG    1        2.794   0.424  -0.670  0.00  0.00    +0.155 HD
ATOM      9  C   LIG    1        2.166  -1.508  -0.500  0.00  0.00    +0.248 C 
ATOM     10  O   LIG    1        2.199  -2.626  -0.002  0.00  0.00    -0.270 OA
BRANCH   7  12
ATOM     11  C   LIG    1        4.997   0.702   0.614  0.00  0.00    -0.026 A 
ATOM     12  C   LIG    1        4.265  -0.497   0.448  0.00  0.00    +0.037 A 
ATOM     13  C   LIG    1        4.761  -1.675   1.023  0.00  0.00    +0.023 A 
ATOM     14  C   LIG    1        5.946  -1.676   1.763  0.00  0.00    +0.002 A 
ATOM     15  C   LIG    1        6.658  -0.497   1.940  0.00  0.00    +0.000 A 
ATOM     16  C   LIG    1        6.187   0.683   1.371  0.00  0.00    +0.005 A 
BRANCH  11  18
ATOM     17  C   LIG    1        3.509   2.714   0.904  0.00  0.00    +0.009 C 
ATOM     18  C   LIG    1        4.562   2.034   0.041  0.00  0.00    +0.033 C 
ENDBRANCH  11  18
ENDBRANCH   7  12
ENDBRANCH   1   9
BRANCH   3  19
ATOM     19  C   LIG    1       -2.697  -2.078  -1.577  0.00  0.00    +0.092 C 
BRANCH  19  20
ATOM     20  C   LIG    1       -3.803  -1.053  -1.341  0.00  0.00    +0.069 A 
ATOM     21  C   LIG    1       -3.875  -0.322  -0.036  0.00  0.00    -0.016 A 
ATOM     22  C   LIG    1       -2.909  -0.622   1.076  0.00  0.00    +0.037 C 
ATOM     23  C   LIG    1       -3.339  -0.039   2.426  0.00  0.00    +0.005 C 
ATOM     24  C   LIG    1       -3.843   1.390   2.272  0.00  0.00    +0.005 C 
ATOM     25  C   LIG    1       -5.034   1.449   1.313  0.00  0.00    +0.041 C 
ATOM     26  C   LIG    1       -4.844   0.602   0.085  0.00  0.00    +0.023 A 
ATOM     27  C   LIG    1       -5.798   0.833  -1.029  0.00  0.00    +0.268 A 
ATOM     28  O   LIG    1       -6.701   1.659  -0.947  0.00  0.00    -0.266 OA
ATOM     29  N   LIG    1       -5.610   0.065  -2.146  0.00  0.00    -0.243 N 
ATOM     30  H   LIG    1       -6.253   0.207  -2.918  0.00  0.00    +0.192 HD
ATOM     31  N   LIG    1       -4.631  -0.860  -2.326  0.00  0.00    -0.175 NA
ENDBRANCH  19  20
ENDBRANCH   3  19
TORSDOF 5