REMARK  Name = BDB002450
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.118  -0.490   0.034  0.00  0.00    +0.266 C 
ATOM      2  N   LIG    1       -0.128   0.099  -0.082  0.00  0.00    -0.280 N 
ATOM      3  H   LIG    1       -0.140   1.095  -0.292  0.00  0.00    +0.155 HD
ATOM      4  O   LIG    1        1.300  -1.676   0.283  0.00  0.00    -0.268 OA
ENDROOT
BRANCH   1   7
ATOM      5  C   LIG    1        4.099  -1.257   0.175  0.00  0.00    +0.173 C 
ATOM      6  N   LIG    1        3.560   0.057  -0.098  0.00  0.00    -0.262 N 
ATOM      7  C   LIG    1        2.232   0.425  -0.167  0.00  0.00    +0.123 A 
ATOM      8  C   LIG    1        2.268   1.783  -0.454  0.00  0.00    +0.054 A 
ATOM      9  C   LIG    1        3.628   2.121  -0.534  0.00  0.00    +0.135 A 
ATOM     10  N   LIG    1        4.420   1.074  -0.319  0.00  0.00    -0.179 NA
ENDBRANCH   1   7
BRANCH   2  11
ATOM     11  C   LIG    1       -1.414  -0.488   0.051  0.00  0.00    +0.048 A 
ATOM     12  C   LIG    1       -2.567   0.318  -0.112  0.00  0.00    +0.080 A 
ATOM     13  C   LIG    1       -3.849  -0.248   0.017  0.00  0.00    +0.017 A 
ATOM     14  C   LIG    1       -3.997  -1.603   0.304  0.00  0.00    +0.001 A 
ATOM     15  C   LIG    1       -2.870  -2.400   0.464  0.00  0.00    +0.002 A 
ATOM     16  C   LIG    1       -1.591  -1.848   0.339  0.00  0.00    +0.024 A 
BRANCH  12  17
ATOM     17  C   LIG    1       -2.438   1.770  -0.419  0.00  0.00    +0.339 C 
ATOM     18  O   LIG    1       -1.386   2.374  -0.553  0.00  0.00    -0.245 OA
BRANCH  17  19
ATOM     19  O   LIG    1       -3.618   2.402  -0.544  0.00  0.00    -0.477 OA
ATOM     20  H   LIG    1       -3.384   3.333  -0.742  0.00  0.00    +0.295 HD
ENDBRANCH  17  19
ENDBRANCH  12  17
ENDBRANCH   2  11
TORSDOF 4