REMARK  Name = BDB009331
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.188   0.203   1.157  0.00  0.00    +0.072 A 
ATOM      2  C   LIG    1        0.003   1.202   2.105  0.00  0.00    +0.135 A 
ATOM      3  F   LIG    1        0.618   1.145   3.295  0.00  0.00    -0.205 F 
ATOM      4  C   LIG    1       -0.817   2.289   1.824  0.00  0.00    +0.039 A 
ATOM      5  C   LIG    1       -1.478   2.362   0.595  0.00  0.00    +0.007 A 
ATOM      6  C   LIG    1       -1.338   1.338  -0.357  0.00  0.00    -0.041 A 
ATOM      7  C   LIG    1       -0.487   0.260  -0.069  0.00  0.00    +0.020 A 
ENDROOT
BRANCH   1  12
ATOM      8  N   LIG    1        5.364  -0.809   1.213  0.00  0.00    -0.297 NA
ATOM      9  C   LIG    1        4.604   0.362   1.684  0.00  0.00    +0.103 C 
ATOM     10  C   LIG    1        3.128   0.413   1.242  0.00  0.00    +0.123 C 
ATOM     11  N   LIG    1        2.397  -0.824   1.539  0.00  0.00    -0.295 N 
ATOM     12  C   LIG    1        1.019  -0.974   1.450  0.00  0.00    +0.249 C 
ATOM     13  O   LIG    1        0.437  -2.053   1.545  0.00  0.00    -0.270 OA
ATOM     14  C   LIG    1        3.223  -2.011   1.770  0.00  0.00    +0.123 C 
ATOM     15  C   LIG    1        4.511  -1.976   0.925  0.00  0.00    +0.103 C 
BRANCH   8  17
ATOM     16  C   LIG    1        5.848   0.016  -1.129  0.00  0.00    +0.024 C 
ATOM     17  C   LIG    1        6.393  -0.503   0.207  0.00  0.00    +0.051 C 
ATOM     18  C   LIG    1        7.320  -1.701  -0.035  0.00  0.00    +0.024 C 
ENDBRANCH   8  17
ENDBRANCH   1  12
BRANCH   6  19
ATOM     19  C   LIG    1       -2.057   1.402  -1.686  0.00  0.00    +0.092 C 
BRANCH  19  20
ATOM     20  C   LIG    1       -3.553   1.682  -1.561  0.00  0.00    +0.069 A 
ATOM     21  C   LIG    1       -4.498   0.553  -1.292  0.00  0.00    -0.016 A 
ATOM     22  C   LIG    1       -3.994  -0.852  -1.109  0.00  0.00    +0.037 C 
ATOM     23  C   LIG    1       -5.049  -1.811  -0.548  0.00  0.00    +0.005 C 
ATOM     24  C   LIG    1       -6.402  -1.595  -1.213  0.00  0.00    +0.005 C 
ATOM     25  C   LIG    1       -6.888  -0.158  -1.010  0.00  0.00    +0.041 C 
ATOM     26  C   LIG    1       -5.804   0.862  -1.226  0.00  0.00    +0.023 A 
ATOM     27  C   LIG    1       -6.245   2.271  -1.382  0.00  0.00    +0.268 A 
ATOM     28  O   LIG    1       -7.427   2.592  -1.311  0.00  0.00    -0.266 OA
ATOM     29  N   LIG    1       -5.253   3.187  -1.605  0.00  0.00    -0.243 N 
ATOM     30  H   LIG    1       -5.536   4.155  -1.719  0.00  0.00    +0.192 HD
ATOM     31  N   LIG    1       -3.925   2.920  -1.705  0.00  0.00    -0.175 NA
ENDBRANCH  19  20
ENDBRANCH   6  19
TORSDOF 4