REMARK  Name = BDB042763
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.967  -0.976  -2.696  0.00  0.00    +0.029 C 
ATOM      2  C   LIG    1       -0.087  -0.800  -1.452  0.00  0.00    +0.081 C 
ATOM      3  C   LIG    1       -0.553   0.393  -0.582  0.00  0.00    +0.093 C 
ATOM      4  C   LIG    1        0.453   0.665   0.541  0.00  0.00    +0.080 A 
ATOM      5  C   LIG    1        1.850   0.267   0.309  0.00  0.00    +0.032 A 
ATOM      6  C   LIG    1        2.790   0.560   1.293  0.00  0.00    +0.054 A 
ATOM      7  C   LIG    1        2.339   1.222   2.523  0.00  0.00    +0.273 A 
ATOM      8  N   LIG    1        1.002   1.535   2.585  0.00  0.00    -0.242 N 
ATOM      9  H   LIG    1        0.670   2.003   3.423  0.00  0.00    +0.192 HD
ATOM     10  O   LIG    1        3.123   1.479   3.429  0.00  0.00    -0.266 OA
ATOM     11  C   LIG    1        4.135   0.247   1.097  0.00  0.00    +0.052 A 
ATOM     12  C   LIG    1        4.513  -0.337  -0.103  0.00  0.00    +0.126 A 
ATOM     13  F   LIG    1        5.804  -0.620  -0.320  0.00  0.00    -0.205 F 
ATOM     14  C   LIG    1        3.576  -0.627  -1.095  0.00  0.00    +0.062 A 
ATOM     15  C   LIG    1        2.219  -0.363  -0.885  0.00  0.00    +0.040 A 
ATOM     16  N   LIG    1        0.072   1.287   1.620  0.00  0.00    -0.175 NA
ATOM     17  N   LIG    1        1.296  -0.598  -1.917  0.00  0.00    -0.340 N 
ATOM     18  H   LIG    1        1.611  -1.339  -2.545  0.00  0.00    +0.146 HD
ENDROOT
BRANCH   3  19
ATOM     19  C   LIG    1       -1.968   0.211  -0.046  0.00  0.00    -0.001 A 
ATOM     20  C   LIG    1       -2.297  -0.864   0.792  0.00  0.00    +0.130 A 
ATOM     21  F   LIG    1       -1.359  -1.763   1.123  0.00  0.00    -0.205 F 
ATOM     22  C   LIG    1       -3.583  -1.032   1.290  0.00  0.00    +0.077 A 
ATOM     23  C   LIG    1       -4.559  -0.108   0.950  0.00  0.00    +0.126 A 
ATOM     24  F   LIG    1       -5.804  -0.259   1.422  0.00  0.00    -0.205 F 
ATOM     25  C   LIG    1       -4.268   0.974   0.125  0.00  0.00    +0.039 A 
ATOM     26  C   LIG    1       -2.974   1.137  -0.373  0.00  0.00    +0.010 A 
ENDBRANCH   3  19
TORSDOF 1