REMARK  Name = BDB012903
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.971   0.037  -1.455  0.00  0.00    +0.092 C 
ATOM      2  C   LIG    1        0.024  -0.914  -0.712  0.00  0.00    +0.130 C 
ATOM      3  N   LIG    1       -1.266  -0.236  -0.726  0.00  0.00    -0.294 N 
ATOM      4  C   LIG    1       -2.348  -0.798  -0.066  0.00  0.00    +0.264 C 
ATOM      5  O   LIG    1       -2.222  -1.837   0.578  0.00  0.00    -0.268 OA
ATOM      6  C   LIG    1       -1.119   1.147  -1.162  0.00  0.00    +0.110 C 
ATOM      7  C   LIG    1        0.381   1.407  -1.127  0.00  0.00    +0.043 C 
ENDROOT
BRANCH   4   8
ATOM      8  C   LIG    1       -3.613  -0.115  -0.153  0.00  0.00    +0.121 A 
ATOM      9  N   LIG    1       -4.122   0.493  -1.266  0.00  0.00    -0.272 N 
ATOM     10  H   LIG    1       -3.705   0.542  -2.189  0.00  0.00    +0.189 HD
ATOM     11  N   LIG    1       -5.318   1.073  -1.080  0.00  0.00    -0.178 NA
ATOM     12  C   LIG    1       -5.643   0.747   0.177  0.00  0.00    +0.066 A 
ATOM     13  C   LIG    1       -4.616  -0.010   0.790  0.00  0.00    +0.057 A 
BRANCH  12  14
ATOM     14  C   LIG    1       -6.959   1.180   0.756  0.00  0.00    +0.033 C 
ATOM     15  C   LIG    1       -7.832  -0.019   1.130  0.00  0.00    +0.014 C 
ATOM     16  C   LIG    1       -6.767   2.101   1.963  0.00  0.00    +0.014 C 
ENDBRANCH  12  14
ENDBRANCH   4   8
BRANCH   1  18
ATOM     17  C   LIG    1        3.113  -1.153  -1.506  0.00  0.00    +0.244 C 
ATOM     18  N   LIG    1        2.360  -0.083  -1.061  0.00  0.00    -0.307 N 
ATOM     19  H   LIG    1        2.658   0.384  -0.214  0.00  0.00    +0.149 HD
ATOM     20  O   LIG    1        2.687  -1.983  -2.300  0.00  0.00    -0.270 OA
BRANCH  17  23
ATOM     21  C   LIG    1        6.482  -0.348   0.071  0.00  0.00    +0.121 A 
ATOM     22  C   LIG    1        5.200  -0.184  -0.464  0.00  0.00    +0.058 A 
ATOM     23  C   LIG    1        4.480  -1.289  -0.933  0.00  0.00    +0.040 A 
ATOM     24  C   LIG    1        5.059  -2.561  -0.888  0.00  0.00    +0.013 A 
ATOM     25  C   LIG    1        6.337  -2.727  -0.355  0.00  0.00    +0.004 A 
ATOM     26  C   LIG    1        7.046  -1.624   0.128  0.00  0.00    +0.045 A 
BRANCH  21  28
ATOM     27  C   LIG    1        8.391   0.708   1.019  0.00  0.00    +0.277 C 
ATOM     28  O   LIG    1        7.071   0.811   0.498  0.00  0.00    -0.495 OA
ENDBRANCH  21  28
ENDBRANCH  17  23
ENDBRANCH   1  18
TORSDOF 5