REMARK  Name = BDB036872
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.716   0.435  -0.747  0.00  0.00    +0.246 C 
ATOM      2  N   LIG    1       -0.176  -0.125   0.133  0.00  0.00    -0.300 N 
ATOM      3  H   LIG    1        0.155  -0.638   0.948  0.00  0.00    +0.150 HD
ATOM      4  O   LIG    1        0.409   0.981  -1.797  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   2   5
ATOM      5  C   LIG    1       -1.577  -0.317  -0.215  0.00  0.00    +0.160 C 
ATOM      6  C   LIG    1       -2.214  -1.236   0.833  0.00  0.00    +0.240 C 
ATOM      7  O   LIG    1       -1.554  -1.871   1.655  0.00  0.00    -0.273 OA
ATOM      8  N   LIG    1       -3.585  -1.303   0.816  0.00  0.00    -0.255 N 
ATOM      9  H   LIG    1       -3.990  -1.898   1.528  0.00  0.00    +0.158 HD
ATOM     10  C   LIG    1       -4.413  -0.300   0.382  0.00  0.00    +0.219 C 
ATOM     11  O   LIG    1       -5.580  -0.238   0.757  0.00  0.00    -0.275 OA
ATOM     12  C   LIG    1       -3.818   0.696  -0.587  0.00  0.00    +0.098 C 
ATOM     13  C   LIG    1       -2.363   0.990  -0.252  0.00  0.00    +0.041 C 
ENDBRANCH   2   5
BRANCH   1  15
ATOM     14  C   LIG    1        2.810  -0.851  -0.224  0.00  0.00    +0.064 A 
ATOM     15  C   LIG    1        2.133   0.369  -0.340  0.00  0.00    +0.054 A 
ATOM     16  C   LIG    1        2.798   1.579  -0.106  0.00  0.00    +0.014 A 
ATOM     17  C   LIG    1        4.138   1.569   0.280  0.00  0.00    +0.001 A 
ATOM     18  C   LIG    1        4.815   0.357   0.421  0.00  0.00    +0.001 A 
ATOM     19  C   LIG    1        4.157  -0.849   0.166  0.00  0.00    +0.019 A 
BRANCH  14  21
ATOM     20  N   LIG    1        1.653  -3.111  -0.754  0.00  0.00    -0.191 NA
ATOM     21  C   LIG    1        2.170  -2.098  -0.523  0.00  0.00    +0.100 C 
ENDBRANCH  14  21
ENDBRANCH   1  15
TORSDOF 3