REMARK  Name = BDB031596
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -1.030   0.340  -0.297  0.00  0.00    -0.300 N 
ATOM      2  H   LIG    1       -0.942   0.190  -1.296  0.00  0.00    +0.150 HD
ATOM      3  C   LIG    1        0.153   0.428   0.411  0.00  0.00    +0.248 C 
ATOM      4  O   LIG    1        0.223   1.004   1.492  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   1  11
ATOM      5  O   LIG    1       -5.465  -1.448  -0.165  0.00  0.00    -0.275 OA
ATOM      6  C   LIG    1       -4.574  -0.625   0.025  0.00  0.00    +0.219 C 
ATOM      7  N   LIG    1       -4.397   0.429  -0.833  0.00  0.00    -0.255 N 
ATOM      8  H   LIG    1       -5.004   0.397  -1.642  0.00  0.00    +0.158 HD
ATOM      9  C   LIG    1       -3.202   1.067  -1.038  0.00  0.00    +0.240 C 
ATOM     10  O   LIG    1       -2.899   1.485  -2.155  0.00  0.00    -0.273 OA
ATOM     11  C   LIG    1       -2.210   1.086   0.131  0.00  0.00    +0.160 C 
ATOM     12  C   LIG    1       -2.856   0.545   1.407  0.00  0.00    +0.041 C 
ATOM     13  C   LIG    1       -3.562  -0.773   1.135  0.00  0.00    +0.098 C 
ENDBRANCH   1  11
BRANCH   3  14
ATOM     14  C   LIG    1        1.310  -0.186  -0.220  0.00  0.00    +0.082 A 
ATOM     15  C   LIG    1        2.681  -0.087   0.188  0.00  0.00    +0.032 A 
ATOM     16  C   LIG    1        3.411  -0.849  -0.716  0.00  0.00    +0.136 A 
ATOM     17  C   LIG    1        4.794  -1.010  -0.673  0.00  0.00    +0.047 A 
ATOM     18  C   LIG    1        5.468  -0.352   0.360  0.00  0.00    +0.004 A 
ATOM     19  C   LIG    1        4.776   0.424   1.292  0.00  0.00    +0.001 A 
ATOM     20  O   LIG    1        2.583  -1.409  -1.637  0.00  0.00    -0.462 OA
ATOM     21  C   LIG    1        3.383   0.567   1.220  0.00  0.00    +0.012 A 
ATOM     22  C   LIG    1        1.323  -1.012  -1.329  0.00  0.00    +0.209 A 
ENDBRANCH   3  14
TORSDOF 2