REMARK  Name = BDB036996
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.937  -0.730  -1.346  0.00  0.00    +0.043 A 
ATOM      2  C   LIG    1       -0.558  -0.558  -1.402  0.00  0.00    +0.070 A 
ATOM      3  C   LIG    1        0.431  -0.116  -0.405  0.00  0.00    +0.256 C 
ATOM      4  N   LIG    1        1.663  -0.175  -1.001  0.00  0.00    -0.222 N 
ATOM      5  C   LIG    1        1.563  -0.523  -2.317  0.00  0.00    +0.255 C 
ATOM      6  O   LIG    1        2.444  -0.609  -3.151  0.00  0.00    -0.270 OA
ATOM      7  O   LIG    1        0.183   0.263   0.725  0.00  0.00    -0.269 OA
ATOM      8  C   LIG    1        0.153  -0.792  -2.574  0.00  0.00    +0.051 A 
ATOM      9  C   LIG    1       -0.444  -1.201  -3.751  0.00  0.00    +0.014 A 
ATOM     10  C   LIG    1       -1.823  -1.378  -3.729  0.00  0.00    +0.003 A 
ATOM     11  C   LIG    1       -2.551  -1.144  -2.546  0.00  0.00    +0.024 A 
ENDROOT
BRANCH   4  12
ATOM     12  C   LIG    1        2.900   0.307  -0.407  0.00  0.00    +0.171 C 
ATOM     13  C   LIG    1        2.880   1.839  -0.364  0.00  0.00    +0.240 C 
ATOM     14  O   LIG    1        2.182   2.537  -1.097  0.00  0.00    -0.273 OA
ATOM     15  N   LIG    1        3.762   2.421   0.519  0.00  0.00    -0.255 N 
ATOM     16  H   LIG    1        3.759   3.432   0.543  0.00  0.00    +0.158 HD
ATOM     17  C   LIG    1        4.527   1.802   1.477  0.00  0.00    +0.219 C 
ATOM     18  O   LIG    1        5.215   2.454   2.255  0.00  0.00    -0.275 OA
ATOM     19  C   LIG    1        4.521   0.290   1.475  0.00  0.00    +0.098 C 
ATOM     20  C   LIG    1        3.190  -0.257   0.982  0.00  0.00    +0.041 C 
ENDBRANCH   4  12
BRANCH   1  23
ATOM     21  C   LIG    1       -2.683  -0.373   2.154  0.00  0.00    +0.069 C 
ATOM     22  C   LIG    1       -2.506  -1.342   0.960  0.00  0.00    +0.123 C 
ATOM     23  N   LIG    1       -2.767  -0.531  -0.249  0.00  0.00    -0.328 N 
ATOM     24  C   LIG    1       -2.969   0.869   0.150  0.00  0.00    +0.107 C 
ATOM     25  C   LIG    1       -3.525   0.754   1.564  0.00  0.00    +0.039 C 
BRANCH  21  26
ATOM     26  N   LIG    1       -3.298  -0.966   3.344  0.00  0.00    -0.326 NA
ATOM     27  H   LIG    1       -4.230  -1.309   3.110  0.00  0.00    +0.119 HD
ATOM     28  H   LIG    1       -3.436  -0.240   4.046  0.00  0.00    +0.119 HD
ENDBRANCH  21  26
ENDBRANCH   1  23
TORSDOF 3