REMARK  Name = BDB042439
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.144  -0.817  -0.655  0.00  0.00    +0.021 C 
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1        1.831   0.534  -0.421  0.00  0.00    +0.054 C 
BRANCH   2  10
ATOM      3  C   LIG    1        7.005   0.913  -1.641  0.00  0.00    +0.044 C 
ATOM      4  C   LIG    1        6.858   0.556  -0.185  0.00  0.00    -0.042 A 
ATOM      5  C   LIG    1        5.595   0.388   0.427  0.00  0.00    -0.005 A 
ATOM      6  C   LIG    1        5.530   0.055   1.797  0.00  0.00    +0.082 A 
ATOM      7  C   LIG    1        4.203  -0.119   2.438  0.00  0.00    +0.259 A 
ATOM      8  N   LIG    1        3.106   0.059   1.625  0.00  0.00    -0.326 N 
ATOM      9  H   LIG    1        2.211  -0.054   2.088  0.00  0.00    +0.169 HD
ATOM     10  C   LIG    1        3.152   0.375   0.290  0.00  0.00    +0.020 A 
ATOM     11  O   LIG    1        4.059  -0.405   3.620  0.00  0.00    -0.267 OA
ATOM     12  C   LIG    1        6.700  -0.106   2.537  0.00  0.00    +0.136 A 
ATOM     13  F   LIG    1        6.673  -0.423   3.839  0.00  0.00    -0.205 F 
ATOM     14  C   LIG    1        7.942   0.059   1.936  0.00  0.00    +0.039 A 
ATOM     15  C   LIG    1        4.335   0.548  -0.319  0.00  0.00    +0.030 A 
ATOM     16  C   LIG    1        8.023   0.388   0.585  0.00  0.00    +0.007 A 
ENDBRANCH   2  10
ENDBRANCH   1   2
BRANCH   1  17
ATOM     17  C   LIG    1       -0.163  -0.686  -1.450  0.00  0.00    +0.085 C 
BRANCH  17  18
ATOM     18  N   LIG    1       -1.155   0.183  -0.805  0.00  0.00    -0.299 NA
ATOM     19  C   LIG    1       -1.790  -0.430   0.384  0.00  0.00    +0.103 C 
ATOM     20  C   LIG    1       -3.225  -0.978   0.187  0.00  0.00    +0.120 C 
ATOM     21  N   LIG    1       -4.125   0.056  -0.351  0.00  0.00    -0.327 N 
ATOM     22  C   LIG    1       -3.490   1.123  -1.143  0.00  0.00    +0.120 C 
ATOM     23  C   LIG    1       -2.178   0.618  -1.784  0.00  0.00    +0.103 C 
BRANCH  21  24
ATOM     24  C   LIG    1       -5.488   0.032  -0.118  0.00  0.00    +0.030 A 
ATOM     25  C   LIG    1       -6.284   1.182  -0.256  0.00  0.00    +0.024 A 
ATOM     26  C   LIG    1       -7.666   1.166  -0.021  0.00  0.00    +0.020 A 
ATOM     27  C   LIG    1       -8.296  -0.017   0.360  0.00  0.00    +0.052 A 
ATOM     28  C   LIG    1       -7.536  -1.174   0.505  0.00  0.00    +0.020 A 
ATOM     29  C   LIG    1       -6.154  -1.143   0.269  0.00  0.00    +0.024 A 
BRANCH  27  30
ATOM     30  C   LIG    1       -9.709  -0.041   0.600  0.00  0.00    +0.099 C 
ATOM     31  N   LIG    1      -10.853  -0.062   0.792  0.00  0.00    -0.191 NA
ENDBRANCH  27  30
ENDBRANCH  21  24
ENDBRANCH  17  18
ENDBRANCH   1  17
TORSDOF 6