REMARK  Name = BDB045753
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.625   0.879   0.533  0.00  0.00    +0.068 A 
ATOM      2  C   LIG    1       -0.653  -0.069   0.141  0.00  0.00    +0.020 A 
ATOM      3  C   LIG    1       -1.160  -1.324  -0.264  0.00  0.00    +0.051 A 
ATOM      4  N   LIG    1       -0.307  -2.283  -0.820  0.00  0.00    -0.322 N 
ATOM      5  H   LIG    1       -0.677  -3.165  -1.154  0.00  0.00    +0.169 HD
ATOM      6  C   LIG    1        1.032  -2.100  -1.036  0.00  0.00    +0.257 A 
ATOM      7  C   LIG    1        1.636  -0.849  -0.519  0.00  0.00    +0.047 A 
ATOM      8  C   LIG    1        3.031  -0.708  -0.619  0.00  0.00    +0.014 A 
ATOM      9  C   LIG    1        3.661   0.397  -0.062  0.00  0.00    +0.001 A 
ATOM     10  C   LIG    1        2.901   1.341   0.613  0.00  0.00    +0.001 A 
ATOM     11  C   LIG    1        1.509   1.199   0.707  0.00  0.00    +0.009 A 
ATOM     12  O   LIG    1        1.698  -2.952  -1.613  0.00  0.00    -0.267 OA
ATOM     13  C   LIG    1       -2.521  -1.652  -0.180  0.00  0.00    +0.026 A 
ATOM     14  C   LIG    1       -3.435  -0.720   0.290  0.00  0.00    +0.003 A 
ATOM     15  C   LIG    1        0.826   0.124   0.106  0.00  0.00    -0.003 A 
ATOM     16  C   LIG    1       -2.991   0.550   0.632  0.00  0.00    +0.016 A 
ENDROOT
BRANCH   1  18
ATOM     17  O   LIG    1       -1.534   2.834   1.872  0.00  0.00    -0.245 OA
ATOM     18  C   LIG    1       -1.338   2.300   0.796  0.00  0.00    +0.337 C 
BRANCH  18  19
ATOM     19  O   LIG    1       -0.908   2.944  -0.308  0.00  0.00    -0.477 OA
ATOM     20  H   LIG    1       -0.820   2.381  -1.102  0.00  0.00    +0.295 HD
ENDBRANCH  18  19
ENDBRANCH   1  18
TORSDOF 2