REMARK  Name = BDB013720
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.277   0.559  -0.579  0.00  0.00    -0.323 N 
ATOM      2  H   LIG    1       -0.187  -0.083  -1.220  0.00  0.00    +0.148 HD
ENDROOT
BRANCH   1   3
ATOM      3  C   LIG    1        1.630   0.398  -0.356  0.00  0.00    +0.147 A 
ATOM      4  C   LIG    1        2.457  -0.271  -1.397  0.00  0.00    +0.029 A 
ATOM      5  C   LIG    1        3.808  -0.462  -1.129  0.00  0.00    +0.051 A 
ATOM      6  C   LIG    1        4.635  -1.089  -2.073  0.00  0.00    +0.014 A 
ATOM      7  C   LIG    1        4.109  -1.513  -3.292  0.00  0.00    +0.001 A 
ATOM      8  C   LIG    1        2.760  -1.306  -3.572  0.00  0.00    +0.001 A 
ATOM      9  C   LIG    1        4.374   0.022   0.141  0.00  0.00    +0.275 A 
ATOM     10  O   LIG    1        5.573  -0.133   0.362  0.00  0.00    -0.266 OA
ATOM     11  N   LIG    1        3.489   0.646   1.009  0.00  0.00    -0.230 N 
ATOM     12  C   LIG    1        3.964   1.186   2.269  0.00  0.00    +0.176 C 
ATOM     13  C   LIG    1        1.935  -0.684  -2.631  0.00  0.00    +0.012 A 
ATOM     14  N   LIG    1        2.158   0.834   0.754  0.00  0.00    -0.153 NA
ENDBRANCH   1   3
BRANCH   1  15
ATOM     15  C   LIG    1       -0.671   1.033   0.445  0.00  0.00    +0.093 C 
BRANCH  15  17
ATOM     16  C   LIG    1       -1.478   3.174   1.585  0.00  0.00    +0.006 C 
ATOM     17  C   LIG    1       -0.716   2.573   0.410  0.00  0.00    +0.021 C 
ENDBRANCH  15  17
BRANCH  15  18
ATOM     18  C   LIG    1       -2.085   0.340   0.205  0.00  0.00    +0.106 C 
BRANCH  18  19
ATOM     19  C   LIG    1       -2.192  -0.830   1.198  0.00  0.00    -0.029 A 
ATOM     20  C   LIG    1       -3.128  -0.776   2.244  0.00  0.00    +0.005 A 
ATOM     21  C   LIG    1       -3.223  -1.818   3.169  0.00  0.00    +0.000 A 
ATOM     22  C   LIG    1       -2.385  -2.926   3.060  0.00  0.00    +0.000 A 
ATOM     23  C   LIG    1       -1.454  -2.995   2.026  0.00  0.00    +0.000 A 
ATOM     24  C   LIG    1       -1.356  -1.955   1.101  0.00  0.00    +0.005 A 
ENDBRANCH  18  19
BRANCH  18  25
ATOM     25  N   LIG    1       -2.339  -0.093  -1.220  0.00  0.00    -0.300 NA
ATOM     26  C   LIG    1       -3.600  -0.849  -1.328  0.00  0.00    +0.105 C 
ATOM     27  C   LIG    1       -2.444   1.069  -2.119  0.00  0.00    +0.105 C 
ENDBRANCH  18  25
ENDBRANCH  15  18
ENDBRANCH   1  15
TORSDOF 6