REMARK  Name = BDB031571
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.429  -0.831   0.017  0.00  0.00    +0.247 C 
ATOM      2  N   LIG    1       -1.426   0.028   0.437  0.00  0.00    -0.300 N 
ATOM      3  H   LIG    1       -1.116   0.787   1.034  0.00  0.00    +0.150 HD
ATOM      4  O   LIG    1       -0.668  -1.980  -0.341  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   1  12
ATOM      5  C   LIG    1        3.385   2.384   0.376  0.00  0.00    +0.149 C 
ATOM      6  N   LIG    1        2.643   1.153   0.211  0.00  0.00    -0.349 N 
ATOM      7  C   LIG    1        3.209  -0.081  -0.018  0.00  0.00    +0.050 A 
ATOM      8  C   LIG    1        2.155  -0.995  -0.127  0.00  0.00    +0.012 A 
ATOM      9  C   LIG    1        2.470  -2.351  -0.369  0.00  0.00    +0.011 A 
ATOM     10  C   LIG    1        3.805  -2.748  -0.495  0.00  0.00    +0.001 A 
ATOM     11  C   LIG    1        4.831  -1.817  -0.382  0.00  0.00    +0.002 A 
ATOM     12  C   LIG    1        0.924  -0.275   0.054  0.00  0.00    +0.062 A 
ATOM     13  C   LIG    1        4.553  -0.469  -0.142  0.00  0.00    +0.026 A 
ATOM     14  C   LIG    1        1.278   1.052   0.251  0.00  0.00    +0.099 A 
ENDBRANCH   1  12
BRANCH   2  15
ATOM     15  C   LIG    1       -2.784  -0.454   0.655  0.00  0.00    +0.160 C 
ATOM     16  C   LIG    1       -3.528   0.635   1.436  0.00  0.00    +0.240 C 
ATOM     17  O   LIG    1       -3.146   1.025   2.540  0.00  0.00    -0.273 OA
ATOM     18  N   LIG    1       -4.555   1.276   0.792  0.00  0.00    -0.255 N 
ATOM     19  H   LIG    1       -4.981   2.028   1.317  0.00  0.00    +0.158 HD
ATOM     20  C   LIG    1       -4.653   1.425  -0.567  0.00  0.00    +0.219 C 
ATOM     21  O   LIG    1       -5.287   2.358  -1.052  0.00  0.00    -0.275 OA
ATOM     22  C   LIG    1       -3.869   0.454  -1.415  0.00  0.00    +0.098 C 
ATOM     23  C   LIG    1       -3.531  -0.805  -0.632  0.00  0.00    +0.041 C 
ENDBRANCH   2  15
TORSDOF 2