REMARK  Name = BDB013161
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.253  -0.547  -0.042  0.00  0.00    +0.048 A 
ATOM      2  C   LIG    1        0.720   0.631   0.558  0.00  0.00    +0.173 A 
ATOM      3  N   LIG    1       -0.642   0.685   0.741  0.00  0.00    -0.253 N 
ATOM      4  C   LIG    1       -0.887   1.906   1.298  0.00  0.00    +0.232 A 
ATOM      5  N   LIG    1        0.242   2.552   1.478  0.00  0.00    -0.137 NA
ATOM      6  C   LIG    1       -1.515  -0.350   0.381  0.00  0.00    +0.203 A 
ATOM      7  N   LIG    1       -1.024  -1.425  -0.173  0.00  0.00    -0.223 NA
ATOM      8  N   LIG    1        1.257   1.749   1.007  0.00  0.00    -0.129 NA
ATOM      9  C   LIG    1        0.342  -1.495  -0.364  0.00  0.00    +0.126 A 
ENDROOT
BRANCH   1  13
ATOM     10  N   LIG    1        4.836  -0.830  -0.099  0.00  0.00    -0.266 N 
ATOM     11  C   LIG    1        3.681  -0.607   0.618  0.00  0.00    +0.044 A 
ATOM     12  C   LIG    1        3.665  -0.268   2.066  0.00  0.00    +0.066 C 
ATOM     13  C   LIG    1        2.652  -0.740  -0.299  0.00  0.00    +0.030 A 
ATOM     14  C   LIG    1        3.283  -1.095  -1.520  0.00  0.00    +0.068 A 
ATOM     15  C   LIG    1        2.675  -1.345  -2.851  0.00  0.00    +0.068 C 
ATOM     16  N   LIG    1        4.607  -1.201  -1.372  0.00  0.00    -0.176 NA
BRANCH  10  17
ATOM     17  C   LIG    1        6.209  -0.775   0.383  0.00  0.00    +0.171 C 
BRANCH  17  18
ATOM     18  C   LIG    1        6.717   0.654   0.548  0.00  0.00    +0.182 C 
BRANCH  18  20
ATOM     19  C   LIG    1        7.597   2.515  -0.609  0.00  0.00    +0.194 C 
ATOM     20  O   LIG    1        7.224   1.146  -0.694  0.00  0.00    -0.381 OA
ENDBRANCH  18  20
ENDBRANCH  17  18
ENDBRANCH  10  17
ENDBRANCH   1  13
BRANCH   6  21
ATOM     21  N   LIG    1       -2.866  -0.201   0.617  0.00  0.00    -0.310 N 
ATOM     22  H   LIG    1       -3.146   0.432   1.358  0.00  0.00    +0.149 HD
BRANCH  21  23
ATOM     23  C   LIG    1       -3.779  -1.322   0.464  0.00  0.00    +0.143 C 
BRANCH  23  24
ATOM     24  C   LIG    1       -5.193  -0.821   0.520  0.00  0.00    +0.012 A 
ATOM     25  C   LIG    1       -5.770  -0.105  -0.525  0.00  0.00    +0.005 A 
ATOM     26  C   LIG    1       -5.185   0.346  -1.812  0.00  0.00    +0.080 C 
ATOM     27  C   LIG    1       -6.465   0.782  -2.525  0.00  0.00    +0.234 C 
ATOM     28  O   LIG    1       -7.479   1.077  -1.537  0.00  0.00    -0.491 OA
ATOM     29  C   LIG    1       -7.069   0.376  -0.433  0.00  0.00    +0.124 A 
ATOM     30  C   LIG    1       -7.851   0.176   0.687  0.00  0.00    +0.049 A 
ATOM     31  C   LIG    1       -7.298  -0.545   1.745  0.00  0.00    +0.042 A 
ATOM     32  C   LIG    1       -5.986  -1.032   1.655  0.00  0.00    +0.129 A 
ATOM     33  F   LIG    1       -5.481  -1.701   2.701  0.00  0.00    -0.205 F 
ENDBRANCH  23  24
ENDBRANCH  21  23
ENDBRANCH   6  21
TORSDOF 7