REMARK  Name = BDB047472
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.996  -0.454  -0.201  0.00  0.00    -0.295 N 
ATOM      2  H   LIG    1        1.334  -1.264   0.308  0.00  0.00    +0.154 HD
ENDROOT
BRANCH   1   3
ATOM      3  C   LIG    1        2.007   0.549  -0.155  0.00  0.00    +0.151 A 
ATOM      4  C   LIG    1        3.298   0.195  -0.568  0.00  0.00    +0.131 A 
ATOM      5  N   LIG    1        3.632  -1.093  -1.044  0.00  0.00    -0.333 N 
ATOM      6  H   LIG    1        2.792  -1.613  -1.288  0.00  0.00    +0.147 HD
ATOM      7  C   LIG    1        4.500  -1.812  -0.121  0.00  0.00    +0.140 C 
ATOM      8  C   LIG    1        5.885  -1.243   0.072  0.00  0.00    +0.012 A 
ATOM      9  C   LIG    1        6.295   0.052  -0.275  0.00  0.00    +0.135 A 
ATOM     10  O   LIG    1        5.526   1.006  -0.898  0.00  0.00    -0.436 OA
ATOM     11  C   LIG    1        7.621   0.458  -0.054  0.00  0.00    +0.046 A 
ATOM     12  C   LIG    1        8.541  -0.397   0.548  0.00  0.00    +0.004 A 
ATOM     13  C   LIG    1        8.144  -1.673   0.925  0.00  0.00    +0.001 A 
ATOM     14  C   LIG    1        6.832  -2.090   0.691  0.00  0.00    +0.009 A 
ATOM     15  C   LIG    1        4.248   1.195  -0.423  0.00  0.00    +0.247 A 
ATOM     16  N   LIG    1        3.986   2.438   0.020  0.00  0.00    -0.199 NA
ATOM     17  C   LIG    1        2.715   2.665   0.358  0.00  0.00    +0.227 A 
ATOM     18  N   LIG    1        1.710   1.780   0.298  0.00  0.00    -0.218 NA
ENDBRANCH   1   3
BRANCH   1  22
ATOM     19  C   LIG    1       -3.125  -0.059   0.081  0.00  0.00    +0.222 A 
ATOM     20  N   LIG    1       -2.573  -1.245   0.384  0.00  0.00    -0.221 NA
ATOM     21  C   LIG    1       -1.226  -1.319   0.291  0.00  0.00    +0.139 A 
ATOM     22  C   LIG    1       -0.389  -0.271  -0.053  0.00  0.00    +0.069 A 
ATOM     23  C   LIG    1       -1.083   0.880  -0.370  0.00  0.00    +0.139 A 
ATOM     24  N   LIG    1       -2.428   1.012  -0.298  0.00  0.00    -0.221 NA
BRANCH  19  27
ATOM     25  O   LIG    1       -5.011   2.095  -0.578  0.00  0.00    -0.270 OA
ATOM     26  C   LIG    1       -5.331   1.015  -0.100  0.00  0.00    +0.250 C 
ATOM     27  N   LIG    1       -4.505  -0.037   0.204  0.00  0.00    -0.250 N 
ATOM     28  H   LIG    1       -4.880  -0.929   0.481  0.00  0.00    +0.158 HD
BRANCH  26  29
ATOM     29  C   LIG    1       -6.778   0.762   0.159  0.00  0.00    +0.037 A 
ATOM     30  C   LIG    1       -7.720   1.354  -0.692  0.00  0.00    +0.013 A 
ATOM     31  C   LIG    1       -9.084   1.141  -0.486  0.00  0.00    +0.001 A 
ATOM     32  C   LIG    1       -9.512   0.343   0.575  0.00  0.00    +0.000 A 
ATOM     33  C   LIG    1       -8.580  -0.235   1.437  0.00  0.00    +0.001 A 
ATOM     34  C   LIG    1       -7.214  -0.025   1.234  0.00  0.00    +0.013 A 
ENDBRANCH  26  29
ENDBRANCH  19  27
ENDBRANCH   1  22
TORSDOF 4