REMARK  Name = BDB044073
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.661   2.872   1.617  0.00  0.00    +0.064 C 
ATOM      2  C   LIG    1        0.599   1.927   1.179  0.00  0.00    +0.023 A 
ATOM      3  C   LIG    1        0.544   0.546   1.180  0.00  0.00    +0.028 A 
ATOM      4  C   LIG    1       -0.725   0.152   0.657  0.00  0.00    +0.017 A 
ATOM      5  C   LIG    1       -1.413   1.316   0.327  0.00  0.00    +0.055 A 
ATOM      6  N   LIG    1       -0.586   2.373   0.647  0.00  0.00    -0.357 N 
ATOM      7  H   LIG    1       -0.824   3.344   0.492  0.00  0.00    +0.166 HD
ENDROOT
BRANCH   3   8
ATOM      8  C   LIG    1        1.577  -0.308   1.685  0.00  0.00    +0.061 A 
ATOM      9  N   LIG    1        2.717  -0.652   0.928  0.00  0.00    -0.276 N 
ATOM     10  C   LIG    1        3.726  -1.468   1.461  0.00  0.00    +0.236 A 
ATOM     11  N   LIG    1        4.704  -1.640   0.600  0.00  0.00    -0.210 NA
ATOM     12  C   LIG    1        4.336  -0.962  -0.526  0.00  0.00    +0.092 A 
ATOM     13  C   LIG    1        5.030  -0.846  -1.742  0.00  0.00    +0.030 A 
ATOM     14  C   LIG    1        4.459  -0.109  -2.784  0.00  0.00    +0.002 A 
ATOM     15  C   LIG    1        3.217   0.500  -2.619  0.00  0.00    +0.002 A 
ATOM     16  C   LIG    1        2.513   0.397  -1.413  0.00  0.00    +0.028 A 
ATOM     17  N   LIG    1        3.639  -1.982   2.722  0.00  0.00    -0.220 NA
ATOM     18  C   LIG    1        2.577  -1.673   3.392  0.00  0.00    +0.117 A 
ATOM     19  C   LIG    1        3.100  -0.340  -0.371  0.00  0.00    +0.075 A 
ATOM     20  C   LIG    1        1.468  -0.810   2.930  0.00  0.00    +0.046 A 
ENDBRANCH   3   8
BRANCH   4  21
ATOM     21  C   LIG    1       -1.264  -1.192   0.498  0.00  0.00    -0.015 A 
ATOM     22  C   LIG    1       -0.596  -2.129  -0.300  0.00  0.00    +0.008 A 
ATOM     23  C   LIG    1       -1.100  -3.424  -0.436  0.00  0.00    +0.001 A 
ATOM     24  C   LIG    1       -2.273  -3.790   0.222  0.00  0.00    +0.000 A 
ATOM     25  C   LIG    1       -2.944  -2.862   1.018  0.00  0.00    +0.001 A 
ATOM     26  C   LIG    1       -2.440  -1.568   1.158  0.00  0.00    +0.008 A 
ENDBRANCH   4  21
BRANCH   5  27
ATOM     27  C   LIG    1       -2.728   1.545  -0.275  0.00  0.00    -0.001 A 
ATOM     28  C   LIG    1       -3.633   2.440   0.312  0.00  0.00    +0.010 A 
ATOM     29  C   LIG    1       -4.885   2.664  -0.266  0.00  0.00    +0.001 A 
ATOM     30  C   LIG    1       -5.244   1.998  -1.436  0.00  0.00    +0.000 A 
ATOM     31  C   LIG    1       -4.352   1.105  -2.027  0.00  0.00    +0.001 A 
ATOM     32  C   LIG    1       -3.100   0.880  -1.450  0.00  0.00    +0.010 A 
ENDBRANCH   5  27
TORSDOF 3