REMARK  Name = BDB057905
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.023   0.240   0.128  0.00  0.00    +0.131 A 
ATOM      2  N   LIG    1        1.451   0.354  -1.115  0.00  0.00    -0.128 NA
ATOM      3  N   LIG    1        0.139   0.481  -0.957  0.00  0.00    -0.065 NA
ATOM      4  N   LIG    1       -0.110   0.444   0.364  0.00  0.00    -0.248 N 
ATOM      5  C   LIG    1        1.033   0.296   1.085  0.00  0.00    +0.140 A 
ENDROOT
BRANCH   1   8
ATOM      6  C   LIG    1        5.700  -0.098  -0.396  0.00  0.00    +0.062 A 
ATOM      7  C   LIG    1        4.344   0.053  -0.686  0.00  0.00    +0.045 A 
ATOM      8  C   LIG    1        3.446   0.085   0.371  0.00  0.00    +0.093 A 
ATOM      9  N   LIG    1        3.835  -0.026   1.669  0.00  0.00    -0.253 NA
ATOM     10  C   LIG    1        5.153  -0.172   1.917  0.00  0.00    +0.112 A 
ATOM     11  C   LIG    1        6.117  -0.213   0.929  0.00  0.00    +0.035 A 
BRANCH   6  13
ATOM     12  O   LIG    1        7.927  -0.271  -1.277  0.00  0.00    -0.245 OA
ATOM     13  C   LIG    1        6.730  -0.142  -1.457  0.00  0.00    +0.337 C 
BRANCH  13  14
ATOM     14  O   LIG    1        6.213  -0.023  -2.691  0.00  0.00    -0.477 OA
ATOM     15  H   LIG    1        6.990  -0.067  -3.286  0.00  0.00    +0.295 HD
ENDBRANCH  13  14
ENDBRANCH   6  13
ENDBRANCH   1   8
BRANCH   4  16
ATOM     16  C   LIG    1       -1.463   0.553   0.850  0.00  0.00    +0.186 C 
BRANCH  16  17
ATOM     17  C   LIG    1       -2.259  -0.721   0.600  0.00  0.00    +0.252 C 
BRANCH  17  18
ATOM     18  O   LIG    1       -3.581  -0.604   1.130  0.00  0.00    -0.490 OA
BRANCH  18  19
ATOM     19  C   LIG    1       -4.546  -0.024   0.356  0.00  0.00    +0.121 A 
ATOM     20  C   LIG    1       -5.807   0.039   0.957  0.00  0.00    +0.045 A 
ATOM     21  C   LIG    1       -6.890   0.611   0.288  0.00  0.00    +0.004 A 
ATOM     22  C   LIG    1       -6.718   1.127  -0.994  0.00  0.00    +0.000 A 
ATOM     23  C   LIG    1       -5.465   1.069  -1.601  0.00  0.00    +0.004 A 
ATOM     24  C   LIG    1       -4.380   0.495  -0.929  0.00  0.00    +0.045 A 
ENDBRANCH  18  19
ENDBRANCH  17  18
ENDBRANCH  16  17
ENDBRANCH   4  16
TORSDOF 7