REMARK  Name = BDB013051
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.870   0.088   0.094  0.00  0.00    +0.045 A 
ATOM      2  C   LIG    1       -0.028  -0.980   0.381  0.00  0.00    +0.173 A 
ATOM      3  N   LIG    1       -1.369  -0.728   0.229  0.00  0.00    -0.253 N 
ATOM      4  C   LIG    1       -1.997  -1.909   0.493  0.00  0.00    +0.232 A 
ATOM      5  N   LIG    1       -1.112  -2.816   0.840  0.00  0.00    -0.137 NA
ATOM      6  C   LIG    1       -1.876   0.513  -0.165  0.00  0.00    +0.203 A 
ATOM      7  N   LIG    1       -1.054   1.483  -0.461  0.00  0.00    -0.223 NA
ATOM      8  N   LIG    1        0.133  -2.228   0.771  0.00  0.00    -0.129 NA
ATOM      9  C   LIG    1        0.300   1.240  -0.329  0.00  0.00    +0.126 A 
ENDROOT
BRANCH   1  15
ATOM     10  C   LIG    1        5.077  -2.510  -0.765  0.00  0.00    +0.044 C 
ATOM     11  C   LIG    1        4.411  -1.271  -0.238  0.00  0.00    -0.038 A 
ATOM     12  C   LIG    1        5.146  -0.217   0.326  0.00  0.00    +0.040 A 
ATOM     13  C   LIG    1        4.501   0.905   0.856  0.00  0.00    +0.014 A 
ATOM     14  C   LIG    1        3.110   1.007   0.784  0.00  0.00    +0.009 A 
ATOM     15  C   LIG    1        2.349  -0.006   0.179  0.00  0.00    -0.013 A 
ATOM     16  C   LIG    1        3.013  -1.142  -0.318  0.00  0.00    +0.012 A 
BRANCH  12  17
ATOM     17  C   LIG    1        6.620  -0.266   0.426  0.00  0.00    +0.246 C 
ATOM     18  N   LIG    1        7.374  -0.061  -0.728  0.00  0.00    -0.304 N 
ATOM     19  C   LIG    1        8.821  -0.105  -0.616  0.00  0.00    +0.132 C 
ATOM     20  C   LIG    1        6.845   0.466  -1.979  0.00  0.00    +0.132 C 
ATOM     21  O   LIG    1        7.103  -0.477   1.536  0.00  0.00    -0.270 OA
ENDBRANCH  12  17
ENDBRANCH   1  15
BRANCH   6  22
ATOM     22  N   LIG    1       -3.234   0.719  -0.269  0.00  0.00    -0.310 N 
ATOM     23  H   LIG    1       -3.372   1.590  -0.785  0.00  0.00    +0.149 HD
BRANCH  22  24
ATOM     24  C   LIG    1       -4.034   0.800   0.950  0.00  0.00    +0.140 C 
BRANCH  24  25
ATOM     25  C   LIG    1       -5.437   1.215   0.600  0.00  0.00    -0.024 A 
ATOM     26  C   LIG    1       -6.337   0.343  -0.006  0.00  0.00    +0.002 A 
ATOM     27  C   LIG    1       -6.154  -1.056  -0.461  0.00  0.00    +0.080 C 
ATOM     28  C   LIG    1       -7.613  -1.421  -0.736  0.00  0.00    +0.234 C 
ATOM     29  O   LIG    1       -8.368  -0.210  -0.963  0.00  0.00    -0.491 OA
ATOM     30  C   LIG    1       -7.614   0.760  -0.356  0.00  0.00    +0.124 A 
ATOM     31  C   LIG    1       -8.055   2.046  -0.128  0.00  0.00    +0.046 A 
ATOM     32  C   LIG    1       -7.175   2.938   0.483  0.00  0.00    +0.004 A 
ATOM     33  C   LIG    1       -5.879   2.529   0.842  0.00  0.00    +0.005 A 
ENDBRANCH  24  25
ENDBRANCH  22  24
ENDBRANCH   6  22
TORSDOF 5