REMARK  Name = BDB058449
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        1.036   0.068  -0.648  0.00  0.00    -0.301 N 
ATOM      2  C   LIG    1        0.167  -0.610  -1.610  0.00  0.00    +0.109 C 
ATOM      3  C   LIG    1       -1.132  -1.058  -0.941  0.00  0.00    +0.032 C 
ATOM      4  C   LIG    1       -1.916   0.118  -0.332  0.00  0.00    +0.019 C 
ATOM      5  C   LIG    1       -3.121   0.552  -1.137  0.00  0.00    +0.017 A 
ATOM      6  C   LIG    1       -4.224   0.717  -0.288  0.00  0.00    +0.039 A 
ATOM      7  C   LIG    1       -5.427   1.173  -0.800  0.00  0.00    +0.062 A 
ATOM      8  C   LIG    1       -5.518   1.429  -2.168  0.00  0.00    +0.128 A 
ATOM      9  C   LIG    1       -4.431   1.249  -3.022  0.00  0.00    +0.077 A 
ATOM     10  F   LIG    1       -6.681   1.861  -2.675  0.00  0.00    -0.205 F 
ATOM     11  N   LIG    1       -3.913   0.413   1.037  0.00  0.00    -0.326 N 
ATOM     12  C   LIG    1       -3.225   0.813  -2.494  0.00  0.00    +0.132 A 
ATOM     13  F   LIG    1       -2.171   0.651  -3.302  0.00  0.00    -0.205 F 
ATOM     14  C   LIG    1       -2.649  -0.337   0.972  0.00  0.00    +0.117 C 
ATOM     15  C   LIG    1       -1.004   1.331  -0.062  0.00  0.00    +0.032 C 
ATOM     16  C   LIG    1        0.383   0.884   0.385  0.00  0.00    +0.109 C 
ENDROOT
BRANCH   1  26
ATOM     17  O   LIG    1        4.952  -1.205  -2.762  0.00  0.00    -0.267 OA
ATOM     18  C   LIG    1        4.399  -0.799  -1.745  0.00  0.00    +0.256 A 
ATOM     19  C   LIG    1        5.142  -0.480  -0.512  0.00  0.00    +0.038 A 
ATOM     20  C   LIG    1        6.627  -0.682  -0.505  0.00  0.00    +0.042 C 
ATOM     21  C   LIG    1        7.311  -0.013   0.689  0.00  0.00    +0.005 C 
ATOM     22  C   LIG    1        6.512  -0.228   1.969  0.00  0.00    +0.006 C 
ATOM     23  C   LIG    1        5.095   0.334   1.834  0.00  0.00    +0.056 C 
ATOM     24  C   LIG    1        4.428  -0.009   0.522  0.00  0.00    +0.053 A 
ATOM     25  N   LIG    1        3.070   0.191   0.496  0.00  0.00    -0.220 NA
ATOM     26  C   LIG    1        2.406  -0.113  -0.580  0.00  0.00    +0.198 A 
ATOM     27  N   LIG    1        3.052  -0.610  -1.680  0.00  0.00    -0.295 N 
ATOM     28  H   LIG    1        2.553  -0.776  -2.535  0.00  0.00    +0.172 HD
ENDBRANCH   1  26
BRANCH  11  29
ATOM     29  C   LIG    1       -4.930   0.051   2.018  0.00  0.00    +0.133 C 
BRANCH  29  30
ATOM     30  C   LIG    1       -5.632  -1.282   1.730  0.00  0.00    +0.174 C 
BRANCH  30  31
ATOM     31  O   LIG    1       -6.638  -1.547   2.706  0.00  0.00    -0.393 OA
ATOM     32  H   LIG    1       -7.347  -0.892   2.580  0.00  0.00    +0.209 HD
ENDBRANCH  30  31
ENDBRANCH  29  30
ENDBRANCH  11  29
TORSDOF 4