REMARK  Name = BDB008842
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.575  -0.682  -0.483  0.00  0.00    +0.079 A 
ATOM      2  C   LIG    1        2.525  -1.402  -1.685  0.00  0.00    +0.145 A 
ATOM      3  F   LIG    1        3.416  -1.177  -2.661  0.00  0.00    -0.204 F 
ATOM      4  C   LIG    1        1.494  -2.299  -1.957  0.00  0.00    +0.040 A 
ATOM      5  C   LIG    1        0.469  -2.485  -1.033  0.00  0.00    +0.007 A 
ATOM      6  C   LIG    1        0.463  -1.761   0.164  0.00  0.00    -0.040 A 
ATOM      7  C   LIG    1        1.524  -0.875   0.431  0.00  0.00    +0.030 A 
ENDROOT
BRANCH   1  10
ATOM      8  O   LIG    1        5.449  -0.901  -1.166  0.00  0.00    -0.275 OA
ATOM      9  C   LIG    1        4.925   0.071  -0.642  0.00  0.00    +0.227 C 
ATOM     10  N   LIG    1        3.630   0.231  -0.203  0.00  0.00    -0.208 N 
ATOM     11  C   LIG    1        3.511   1.331   0.615  0.00  0.00    +0.227 C 
ATOM     12  O   LIG    1        2.515   1.764   1.179  0.00  0.00    -0.275 OA
ATOM     13  C   LIG    1        4.856   1.982   0.752  0.00  0.00    +0.106 C 
ATOM     14  C   LIG    1        5.696   1.313  -0.309  0.00  0.00    +0.106 C 
ENDBRANCH   1  10
BRANCH   6  15
ATOM     15  C   LIG    1       -0.648  -1.946   1.175  0.00  0.00    +0.092 C 
BRANCH  15  16
ATOM     16  C   LIG    1       -2.035  -1.648   0.611  0.00  0.00    +0.069 A 
ATOM     17  C   LIG    1       -2.556  -0.245   0.627  0.00  0.00    -0.016 A 
ATOM     18  C   LIG    1       -1.721   0.886   1.160  0.00  0.00    +0.037 C 
ATOM     19  C   LIG    1       -2.284   2.272   0.828  0.00  0.00    +0.005 C 
ATOM     20  C   LIG    1       -3.794   2.316   1.021  0.00  0.00    +0.005 C 
ATOM     21  C   LIG    1       -4.488   1.279   0.137  0.00  0.00    +0.041 C 
ATOM     22  C   LIG    1       -3.798  -0.057   0.148  0.00  0.00    +0.023 A 
ATOM     23  C   LIG    1       -4.568  -1.203  -0.397  0.00  0.00    +0.268 A 
ATOM     24  O   LIG    1       -5.695  -1.064  -0.860  0.00  0.00    -0.266 OA
ATOM     25  N   LIG    1       -3.942  -2.419  -0.354  0.00  0.00    -0.243 N 
ATOM     26  H   LIG    1       -4.453  -3.216  -0.719  0.00  0.00    +0.192 HD
ATOM     27  N   LIG    1       -2.701  -2.663   0.144  0.00  0.00    -0.175 NA
ENDBRANCH  15  16
ENDBRANCH   6  15
TORSDOF 3