REMARK  Name = BDB002723
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.345  -0.430   0.770  0.00  0.00    -0.269 N 
ATOM      2  H   LIG    1       -0.885  -0.398  -0.083  0.00  0.00    +0.156 HD
ATOM      3  C   LIG    1       -1.079  -0.598   1.912  0.00  0.00    +0.308 C 
ATOM      4  N   LIG    1       -2.396  -0.227   1.844  0.00  0.00    -0.268 N 
ATOM      5  H   LIG    1       -2.927  -0.613   2.616  0.00  0.00    +0.156 HD
ATOM      6  O   LIG    1       -0.681  -1.110   2.955  0.00  0.00    -0.252 OA
ENDROOT
BRANCH   1   9
ATOM      7  C   LIG    1        2.917  -0.771  -0.944  0.00  0.00    +0.122 A 
ATOM      8  C   LIG    1        1.548  -0.615  -0.696  0.00  0.00    +0.069 A 
ATOM      9  C   LIG    1        1.045  -0.607   0.611  0.00  0.00    +0.038 A 
ATOM     10  C   LIG    1        1.934  -0.742   1.676  0.00  0.00    +0.023 A 
ATOM     11  C   LIG    1        3.301  -0.898   1.436  0.00  0.00    +0.005 A 
ATOM     12  C   LIG    1        3.793  -0.915   0.130  0.00  0.00    +0.046 A 
BRANCH   7  14
ATOM     13  C   LIG    1        4.641  -0.916  -2.574  0.00  0.00    +0.277 C 
ATOM     14  O   LIG    1        3.261  -0.764  -2.268  0.00  0.00    -0.495 OA
ENDBRANCH   7  14
ENDBRANCH   1   9
BRANCH   4  15
ATOM     15  C   LIG    1       -3.070   0.671   0.997  0.00  0.00    +0.053 A 
ATOM     16  C   LIG    1       -2.460   1.616   0.177  0.00  0.00    +0.134 A 
ATOM     17  N   LIG    1       -3.132   2.471  -0.634  0.00  0.00    -0.261 NA
ATOM     18  C   LIG    1       -4.479   2.409  -0.601  0.00  0.00    +0.111 A 
ATOM     19  C   LIG    1       -5.184   1.535   0.207  0.00  0.00    +0.021 A 
ATOM     20  C   LIG    1       -4.466   0.661   1.021  0.00  0.00    +0.026 A 
ENDBRANCH   4  15
TORSDOF 3