REMARK  Name = BDB021145
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.530  -0.241  -0.011  0.00  0.00    +0.028 A 
ATOM      2  C   LIG    1        1.425  -1.071   0.245  0.00  0.00    +0.036 A 
ATOM      3  C   LIG    1        0.162  -0.510   0.241  0.00  0.00    +0.051 A 
ATOM      4  C   LIG    1       -1.145  -1.117   0.480  0.00  0.00    +0.255 C 
ATOM      5  N   LIG    1       -2.070  -0.113   0.380  0.00  0.00    -0.222 N 
ATOM      6  C   LIG    1       -1.484   1.074   0.033  0.00  0.00    +0.254 C 
ATOM      7  O   LIG    1       -2.003   2.147  -0.207  0.00  0.00    -0.270 OA
ATOM      8  O   LIG    1       -1.322  -2.295   0.727  0.00  0.00    -0.270 OA
ATOM      9  C   LIG    1       -0.045   0.826  -0.029  0.00  0.00    +0.050 A 
ATOM     10  C   LIG    1        1.001   1.672  -0.322  0.00  0.00    +0.015 A 
ATOM     11  C   LIG    1        2.291   1.121  -0.319  0.00  0.00    +0.024 A 
ENDROOT
BRANCH   5  12
ATOM     12  C   LIG    1       -3.504  -0.356   0.420  0.00  0.00    +0.171 C 
ATOM     13  C   LIG    1       -4.048  -0.420  -1.010  0.00  0.00    +0.240 C 
ATOM     14  O   LIG    1       -3.360  -0.684  -1.995  0.00  0.00    -0.273 OA
ATOM     15  N   LIG    1       -5.406  -0.228  -1.141  0.00  0.00    -0.255 N 
ATOM     16  H   LIG    1       -5.770  -0.283  -2.082  0.00  0.00    +0.158 HD
ATOM     17  C   LIG    1       -6.297   0.168  -0.174  0.00  0.00    +0.219 C 
ATOM     18  O   LIG    1       -7.478   0.364  -0.445  0.00  0.00    -0.275 OA
ATOM     19  C   LIG    1       -5.763   0.282   1.234  0.00  0.00    +0.098 C 
ATOM     20  C   LIG    1       -4.290   0.666   1.237  0.00  0.00    +0.041 C 
ENDBRANCH   5  12
BRANCH   1  21
ATOM     21  N   LIG    1        3.790  -0.831  -0.067  0.00  0.00    -0.341 N 
ATOM     22  H   LIG    1        3.846  -1.715   0.433  0.00  0.00    +0.146 HD
BRANCH  21  24
ATOM     23  C   LIG    1        5.481   0.188  -1.507  0.00  0.00    +0.027 C 
ATOM     24  C   LIG    1        5.033  -0.059  -0.068  0.00  0.00    +0.064 C 
ATOM     25  C   LIG    1        6.110  -0.847   0.683  0.00  0.00    +0.027 C 
ENDBRANCH  21  24
ENDBRANCH   1  21
TORSDOF 3