REMARK  Name = BDB006990
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.554  -0.144  -0.553  0.00  0.00    +0.234 C 
ATOM      2  N   LIG    1        1.564   0.662  -0.033  0.00  0.00    -0.269 N 
ATOM      3  C   LIG    1        2.882   0.250   0.244  0.00  0.00    +0.043 A 
ATOM      4  C   LIG    1        3.630   1.317   0.726  0.00  0.00    -0.001 A 
ATOM      5  C   LIG    1        4.948   1.107   1.059  0.00  0.00    +0.117 A 
ATOM      6  N   LIG    1        5.544  -0.098   0.933  0.00  0.00    -0.254 NA
ATOM      7  C   LIG    1        4.799  -1.141   0.450  0.00  0.00    +0.111 A 
ATOM      8  C   LIG    1        2.830   2.589   0.787  0.00  0.00    +0.009 C 
ATOM      9  C   LIG    1        3.372   3.626  -0.203  0.00  0.00    +0.017 C 
ATOM     10  C   LIG    1        2.788   3.171   2.203  0.00  0.00    +0.017 C 
ATOM     11  C   LIG    1        3.455  -0.999   0.100  0.00  0.00    +0.053 A 
ATOM     12  C   LIG    1        1.431   2.082   0.350  0.00  0.00    +0.124 C 
ATOM     13  O   LIG    1        0.726  -1.324  -0.861  0.00  0.00    -0.274 OA
ENDROOT
BRANCH   7  14
ATOM     14  C   LIG    1        5.438  -2.521   0.329  0.00  0.00    +0.288 C 
ATOM     15  F   LIG    1        5.021  -3.180  -0.799  0.00  0.00    -0.199 F 
ATOM     16  F   LIG    1        5.078  -3.338   1.367  0.00  0.00    -0.199 F 
ATOM     17  C   LIG    1        6.958  -2.483   0.281  0.00  0.00    +0.092 C 
ENDBRANCH   7  14
BRANCH   1  18
ATOM     18  C   LIG    1       -0.805   0.567  -0.742  0.00  0.00    +0.181 C 
BRANCH  18  25
ATOM     19  C   LIG    1       -2.993  -2.290  -4.184  0.00  0.00    +0.025 C 
ATOM     20  C   LIG    1       -3.142  -1.700  -2.782  0.00  0.00    +0.065 C 
ATOM     21  N   LIG    1       -3.358  -2.801  -1.825  0.00  0.00    -0.311 NA
ATOM     22  H   LIG    1       -2.534  -3.404  -1.841  0.00  0.00    +0.122 HD
ATOM     23  C   LIG    1       -3.478  -2.236  -0.468  0.00  0.00    +0.101 C 
ATOM     24  C   LIG    1       -2.263  -1.354  -0.046  0.00  0.00    +0.088 C 
ATOM     25  N   LIG    1       -1.970  -0.292  -1.051  0.00  0.00    -0.287 NA
ATOM     26  C   LIG    1       -1.897  -0.850  -2.416  0.00  0.00    +0.103 C 
BRANCH  24  27
ATOM     27  C   LIG    1       -2.486  -0.848   1.406  0.00  0.00    +0.128 C 
BRANCH  27  28
ATOM     28  N   LIG    1       -3.678  -0.042   1.656  0.00  0.00    -0.300 N 
ATOM     29  C   LIG    1       -4.158   0.118   2.956  0.00  0.00    +0.216 C 
ATOM     30  O   LIG    1       -3.821  -0.520   3.940  0.00  0.00    -0.276 OA
ATOM     31  C   LIG    1       -5.121   1.280   2.966  0.00  0.00    +0.097 C 
ATOM     32  C   LIG    1       -5.354   1.553   1.487  0.00  0.00    +0.028 C 
ATOM     33  C   LIG    1       -4.072   1.076   0.833  0.00  0.00    +0.108 C 
ENDBRANCH  27  28
ENDBRANCH  24  27
ENDBRANCH  18  25
ENDBRANCH   1  18
TORSDOF 5