REMARK  Name = BDB031279
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        0.215  -0.468  -1.938  0.00  0.00    -0.275 OA
ATOM      2  C   LIG    1       -0.150  -0.590  -0.773  0.00  0.00    +0.225 C 
ATOM      3  N   LIG    1        0.674  -0.531   0.346  0.00  0.00    -0.285 N 
ATOM      4  H   LIG    1        0.211  -0.600   1.245  0.00  0.00    +0.155 HD
ENDROOT
BRANCH   3   5
ATOM      5  C   LIG    1        2.070  -0.329   0.379  0.00  0.00    +0.035 A 
ATOM      6  C   LIG    1        2.862  -0.200  -0.768  0.00  0.00    +0.051 A 
ATOM      7  C   LIG    1        4.212  -0.007  -0.580  0.00  0.00    +0.069 A 
ATOM      8  C   LIG    1        4.790   0.058   0.684  0.00  0.00    +0.067 A 
ATOM      9  N   LIG    1        6.156   0.258   0.523  0.00  0.00    -0.306 N 
ATOM     10  H   LIG    1        6.852   0.348   1.244  0.00  0.00    +0.170 HD
ATOM     11  C   LIG    1        6.443   0.319  -0.848  0.00  0.00    +0.325 A 
ATOM     12  O   LIG    1        7.539   0.484  -1.353  0.00  0.00    -0.247 OA
ATOM     13  C   LIG    1        4.047  -0.066   1.831  0.00  0.00    +0.029 A 
ATOM     14  N   LIG    1        5.225   0.152  -1.521  0.00  0.00    -0.306 N 
ATOM     15  H   LIG    1        5.128   0.153  -2.523  0.00  0.00    +0.170 HD
ATOM     16  C   LIG    1        2.669  -0.262   1.666  0.00  0.00    +0.025 A 
ENDBRANCH   3   5
BRANCH   2  17
ATOM     17  C   LIG    1       -1.617  -0.838  -0.396  0.00  0.00    +0.105 C 
ATOM     18  C   LIG    1       -2.361   0.370   0.161  0.00  0.00    -0.032 A 
ATOM     19  C   LIG    1       -3.741   0.202   0.403  0.00  0.00    -0.043 A 
ATOM     20  C   LIG    1       -4.493   1.241   0.959  0.00  0.00    +0.004 A 
ATOM     21  C   LIG    1       -3.886   2.461   1.250  0.00  0.00    +0.000 A 
ATOM     22  C   LIG    1       -2.530   2.645   0.989  0.00  0.00    +0.000 A 
ATOM     23  C   LIG    1       -4.371  -1.127   0.073  0.00  0.00    +0.035 C 
ATOM     24  C   LIG    1       -3.893  -1.652  -1.284  0.00  0.00    +0.006 C 
ATOM     25  C   LIG    1       -1.769   1.607   0.447  0.00  0.00    +0.004 A 
ATOM     26  C   LIG    1       -2.410  -1.387  -1.593  0.00  0.00    +0.018 C 
ENDBRANCH   2  17
TORSDOF 2