REMARK  Name = BDB063347
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.229   0.483   0.481  0.00  0.00    +0.045 A 
ATOM      2  C   LIG    1        0.721   1.247   1.215  0.00  0.00    +0.173 A 
ATOM      3  N   LIG    1        1.750   1.816   0.505  0.00  0.00    -0.253 N 
ATOM      4  C   LIG    1        2.459   2.548   1.411  0.00  0.00    +0.232 A 
ATOM      5  N   LIG    1        1.956   2.380   2.612  0.00  0.00    -0.137 NA
ATOM      6  C   LIG    1        1.919   1.643  -0.872  0.00  0.00    +0.203 A 
ATOM      7  N   LIG    1        1.038   0.957  -1.549  0.00  0.00    -0.223 NA
ATOM      8  N   LIG    1        0.856   1.559   2.490  0.00  0.00    -0.129 NA
ATOM      9  C   LIG    1       -0.007   0.385  -0.849  0.00  0.00    +0.126 A 
ENDROOT
BRANCH   1  16
ATOM     10  C   LIG    1       -5.854  -0.225  -0.388  0.00  0.00    +0.046 C 
ATOM     11  C   LIG    1       -5.167  -0.871   0.760  0.00  0.00    -0.025 A 
ATOM     12  C   LIG    1       -3.776  -0.774   1.086  0.00  0.00    +0.003 A 
ATOM     13  C   LIG    1       -3.562  -1.527   2.238  0.00  0.00    +0.047 A 
ATOM     14  C   LIG    1       -2.307  -1.645   2.843  0.00  0.00    +0.027 A 
ATOM     15  C   LIG    1       -1.234  -0.974   2.244  0.00  0.00    +0.011 A 
ATOM     16  C   LIG    1       -1.395  -0.214   1.078  0.00  0.00    -0.012 A 
ATOM     17  N   LIG    1       -4.775  -2.063   2.602  0.00  0.00    -0.360 N 
ATOM     18  H   LIG    1       -4.921  -2.652   3.410  0.00  0.00    +0.165 HD
ATOM     19  C   LIG    1       -2.677  -0.105   0.504  0.00  0.00    +0.019 A 
ATOM     20  C   LIG    1       -5.747  -1.677   1.719  0.00  0.00    +0.087 A 
ENDBRANCH   1  16
BRANCH   6  21
ATOM     21  N   LIG    1        2.991   2.207  -1.531  0.00  0.00    -0.307 N 
ATOM     22  H   LIG    1        2.815   2.105  -2.532  0.00  0.00    +0.149 HD
BRANCH  21  23
ATOM     23  C   LIG    1        4.344   1.694  -1.293  0.00  0.00    +0.178 C 
BRANCH  23  24
ATOM     24  C   LIG    1        4.598   0.345  -1.865  0.00  0.00    +0.122 A 
ATOM     25  O   LIG    1        4.833   0.291  -3.208  0.00  0.00    -0.466 OA
ATOM     26  C   LIG    1        5.019  -1.016  -3.525  0.00  0.00    +0.195 A 
ATOM     27  C   LIG    1        4.905  -1.804  -2.404  0.00  0.00    +0.041 A 
ATOM     28  C   LIG    1        4.631  -0.925  -1.328  0.00  0.00    +0.046 A 
ENDBRANCH  23  24
ENDBRANCH  21  23
ENDBRANCH   6  21
TORSDOF 4