REMARK  Name = BDB044047
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -4.615  -0.760  -0.749  0.00  0.00    +0.079 A 
ATOM      2  C   LIG    1       -3.781  -0.220   0.213  0.00  0.00    +0.152 A 
ATOM      3  O   LIG    1       -2.465   0.150   0.058  0.00  0.00    -0.451 OA
ATOM      4  C   LIG    1       -2.053   0.660   1.281  0.00  0.00    +0.176 C 
ATOM      5  C   LIG    1       -3.163   0.610   2.268  0.00  0.00    +0.231 C 
ATOM      6  O   LIG    1       -3.181   0.965   3.426  0.00  0.00    -0.283 OA
ATOM      7  C   LIG    1       -0.834   1.125   1.586  0.00  0.00    +0.058 C 
ATOM      8  C   LIG    1       -4.255   0.025   1.501  0.00  0.00    +0.068 A 
ATOM      9  C   LIG    1       -5.550  -0.257   1.895  0.00  0.00    +0.015 A 
ATOM     10  C   LIG    1       -6.397  -0.817   0.939  0.00  0.00    +0.002 A 
ATOM     11  C   LIG    1       -5.936  -1.069  -0.371  0.00  0.00    +0.017 A 
ENDROOT
BRANCH   7  12
ATOM     12  C   LIG    1        0.332   1.192   0.691  0.00  0.00    -0.018 A 
ATOM     13  C   LIG    1        1.611   1.085   1.256  0.00  0.00    +0.054 A 
ATOM     14  C   LIG    1        2.752   1.157   0.453  0.00  0.00    +0.129 A 
ATOM     15  C   LIG    1        2.636   1.387  -0.917  0.00  0.00    +0.046 A 
ATOM     16  C   LIG    1        1.371   1.510  -1.488  0.00  0.00    +0.004 A 
ATOM     17  C   LIG    1        0.228   1.416  -0.688  0.00  0.00    +0.008 A 
BRANCH  14  18
ATOM     18  O   LIG    1        3.970   1.063   1.087  0.00  0.00    -0.456 OA
BRANCH  18  19
ATOM     19  C   LIG    1        4.905   0.214   0.538  0.00  0.00    +0.128 A 
ATOM     20  C   LIG    1        4.599  -1.085   0.123  0.00  0.00    +0.046 A 
ATOM     21  C   LIG    1        5.606  -1.903  -0.391  0.00  0.00    +0.004 A 
ATOM     22  C   LIG    1        6.917  -1.430  -0.474  0.00  0.00    +0.000 A 
ATOM     23  C   LIG    1        7.224  -0.141  -0.038  0.00  0.00    +0.004 A 
ATOM     24  C   LIG    1        6.219   0.679   0.476  0.00  0.00    +0.046 A 
ENDBRANCH  18  19
ENDBRANCH  14  18
ENDBRANCH   7  12
BRANCH   1  28
ATOM     25  N   LIG    1       -5.037  -0.979  -3.134  0.00  0.00    -0.325 N 
ATOM     26  H   LIG    1       -4.660  -1.043  -4.072  0.00  0.00    +0.145 HD
ATOM     27  H   LIG    1       -5.943  -0.546  -3.028  0.00  0.00    +0.145 HD
ATOM     28  C   LIG    1       -4.118  -1.021  -2.121  0.00  0.00    +0.245 C 
ATOM     29  O   LIG    1       -2.939  -1.244  -2.359  0.00  0.00    -0.270 OA
ENDBRANCH   1  28
TORSDOF 4