REMARK  Name = BDB036945
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -2.174   0.248   0.030  0.00  0.00    -0.287 N 
ATOM      2  C   LIG    1       -1.742  -0.038  -1.268  0.00  0.00    +0.234 C 
ATOM      3  O   LIG    1       -2.455   0.158  -2.253  0.00  0.00    -0.274 OA
ATOM      4  C   LIG    1       -0.289  -0.513  -1.448  0.00  0.00    +0.207 C 
ATOM      5  N   LIG    1        0.440  -0.934  -0.259  0.00  0.00    -0.257 N 
ATOM      6  C   LIG    1        1.689  -1.498  -0.449  0.00  0.00    +0.404 C 
ATOM      7  O   LIG    1        2.133  -1.800  -1.550  0.00  0.00    -0.226 OA
ATOM      8  C   LIG    1        0.040  -0.327   0.999  0.00  0.00    +0.130 C 
ATOM      9  C   LIG    1       -1.476  -0.374   1.153  0.00  0.00    +0.127 C 
ENDROOT
BRANCH   1  16
ATOM     10  O   LIG    1       -7.553   1.313  -0.688  0.00  0.00    -0.275 OA
ATOM     11  C   LIG    1       -6.357   1.134  -0.477  0.00  0.00    +0.219 C 
ATOM     12  N   LIG    1       -5.823  -0.130  -0.466  0.00  0.00    -0.255 N 
ATOM     13  H   LIG    1       -6.467  -0.884  -0.663  0.00  0.00    +0.158 HD
ATOM     14  C   LIG    1       -4.554  -0.508  -0.094  0.00  0.00    +0.240 C 
ATOM     15  O   LIG    1       -4.277  -1.698   0.059  0.00  0.00    -0.273 OA
ATOM     16  C   LIG    1       -3.580   0.635   0.240  0.00  0.00    +0.163 C 
ATOM     17  C   LIG    1       -3.982   1.932  -0.467  0.00  0.00    +0.041 C 
ATOM     18  C   LIG    1       -5.425   2.268  -0.121  0.00  0.00    +0.098 C 
ENDBRANCH   1  16
BRANCH   6  19
ATOM     19  O   LIG    1        2.359  -1.672   0.719  0.00  0.00    -0.445 OA
BRANCH  19  20
ATOM     20  C   LIG    1        3.684  -2.203   0.609  0.00  0.00    +0.269 C 
BRANCH  20  21
ATOM     21  C   LIG    1        4.678  -1.073   0.691  0.00  0.00    -0.010 A 
ATOM     22  C   LIG    1        5.163  -0.471  -0.479  0.00  0.00    +0.007 A 
ATOM     23  C   LIG    1        6.067   0.589  -0.406  0.00  0.00    +0.000 A 
ATOM     24  C   LIG    1        6.489   1.062   0.835  0.00  0.00    +0.000 A 
ATOM     25  C   LIG    1        6.004   0.479   2.005  0.00  0.00    +0.000 A 
ATOM     26  C   LIG    1        5.099  -0.581   1.934  0.00  0.00    +0.007 A 
ENDBRANCH  20  21
ENDBRANCH  19  20
ENDBRANCH   6  19
TORSDOF 4