REMARK  Name = BDB040639
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        3.100   0.132   1.228  0.00  0.00    -0.222 N 
ATOM      2  C   LIG    1        2.247   0.110   0.160  0.00  0.00    +0.255 C 
ATOM      3  O   LIG    1        2.506   0.210  -1.023  0.00  0.00    -0.270 OA
ATOM      4  C   LIG    1        0.903  -0.081   0.697  0.00  0.00    +0.051 A 
ATOM      5  C   LIG    1        1.011  -0.151   2.068  0.00  0.00    +0.050 A 
ATOM      6  C   LIG    1       -0.097  -0.310   2.867  0.00  0.00    +0.015 A 
ATOM      7  C   LIG    1       -1.342  -0.405   2.225  0.00  0.00    +0.024 A 
ATOM      8  C   LIG    1       -1.486  -0.355   0.810  0.00  0.00    +0.031 A 
ATOM      9  C   LIG    1       -0.315  -0.172   0.048  0.00  0.00    +0.037 A 
ATOM     10  C   LIG    1        2.423  -0.004   2.410  0.00  0.00    +0.254 C 
ATOM     11  O   LIG    1        2.853   0.022   3.547  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   1  18
ATOM     12  O   LIG    1        6.322   0.949  -2.557  0.00  0.00    -0.275 OA
ATOM     13  C   LIG    1        5.820   0.804  -1.445  0.00  0.00    +0.219 C 
ATOM     14  N   LIG    1        5.869  -0.410  -0.809  0.00  0.00    -0.255 N 
ATOM     15  H   LIG    1        6.243  -1.162  -1.370  0.00  0.00    +0.158 HD
ATOM     16  C   LIG    1        5.146  -0.801   0.291  0.00  0.00    +0.240 C 
ATOM     17  O   LIG    1        4.966  -1.996   0.526  0.00  0.00    -0.273 OA
ATOM     18  C   LIG    1        4.543   0.308   1.151  0.00  0.00    +0.171 C 
ATOM     19  C   LIG    1        5.003   1.709   0.754  0.00  0.00    +0.041 C 
ATOM     20  C   LIG    1        5.083   1.920  -0.747  0.00  0.00    +0.098 C 
ENDBRANCH   1  18
BRANCH   8  21
ATOM     21  N   LIG    1       -2.736  -0.429   0.177  0.00  0.00    -0.327 N 
ATOM     22  C   LIG    1       -2.817  -1.305  -1.026  0.00  0.00    +0.123 C 
ATOM     23  C   LIG    1       -4.211  -1.212  -1.716  0.00  0.00    +0.071 C 
ATOM     24  N   LIG    1       -5.291  -1.575  -0.768  0.00  0.00    -0.308 NA
ATOM     25  H   LIG    1       -6.180  -1.569  -1.270  0.00  0.00    +0.123 HD
ATOM     26  C   LIG    1       -5.255  -0.410   0.147  0.00  0.00    +0.071 C 
ATOM     27  C   LIG    1       -5.256   0.774  -0.823  0.00  0.00    +0.022 C 
ATOM     28  C   LIG    1       -4.564   0.234  -2.076  0.00  0.00    +0.022 C 
ATOM     29  C   LIG    1       -3.964  -0.451   1.013  0.00  0.00    +0.123 C 
ENDBRANCH   8  21
TORSDOF 2