REMARK  Name = BDB019744
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.737  -0.496  -2.094  0.00  0.00    +0.072 A 
ATOM      2  C   LIG    1        0.688   0.754  -2.711  0.00  0.00    +0.135 A 
ATOM      3  F   LIG    1       -0.483   1.360  -2.964  0.00  0.00    -0.205 F 
ATOM      4  C   LIG    1        1.856   1.418  -3.081  0.00  0.00    +0.039 A 
ATOM      5  C   LIG    1        3.098   0.833  -2.834  0.00  0.00    +0.008 A 
ATOM      6  C   LIG    1        3.181  -0.423  -2.214  0.00  0.00    -0.029 A 
ATOM      7  C   LIG    1        1.992  -1.080  -1.851  0.00  0.00    +0.021 A 
ENDROOT
BRANCH   1  10
ATOM      8  N   LIG    1       -1.702  -0.653  -1.902  0.00  0.00    -0.307 N 
ATOM      9  H   LIG    1       -1.734   0.290  -2.269  0.00  0.00    +0.149 HD
ATOM     10  C   LIG    1       -0.481  -1.243  -1.669  0.00  0.00    +0.247 C 
ATOM     11  O   LIG    1       -0.362  -2.338  -1.128  0.00  0.00    -0.270 OA
BRANCH   8  12
ATOM     12  C   LIG    1       -2.934  -1.211  -1.395  0.00  0.00    +0.140 C 
BRANCH  12  17
ATOM     13  C   LIG    1       -4.825   1.317   0.743  0.00  0.00    +0.124 A 
ATOM     14  C   LIG    1       -4.266   1.071   2.003  0.00  0.00    +0.091 A 
ATOM     15  C   LIG    1       -3.287   0.091   2.168  0.00  0.00    +0.124 A 
ATOM     16  C   LIG    1       -2.869  -0.647   1.060  0.00  0.00    +0.051 A 
ATOM     17  C   LIG    1       -3.422  -0.421  -0.209  0.00  0.00    -0.023 A 
ATOM     18  C   LIG    1       -4.399   0.575  -0.359  0.00  0.00    +0.051 A 
BRANCH  13  20
ATOM     19  C   LIG    1       -6.391   2.588  -0.521  0.00  0.00    +0.277 C 
ATOM     20  O   LIG    1       -5.769   2.309   0.727  0.00  0.00    -0.495 OA
ENDBRANCH  13  20
BRANCH  15  21
ATOM     21  O   LIG    1       -2.665  -0.235   3.342  0.00  0.00    -0.495 OA
ATOM     22  C   LIG    1       -3.082   0.466   4.506  0.00  0.00    +0.277 C 
ENDBRANCH  15  21
ENDBRANCH  12  17
ENDBRANCH   8  12
ENDBRANCH   1  10
BRANCH   6  23
ATOM     23  C   LIG    1        4.524  -1.065  -1.947  0.00  0.00    +0.139 C 
BRANCH  23  24
ATOM     24  N   LIG    1        5.353  -0.208  -1.124  0.00  0.00    -0.313 N 
ATOM     25  H   LIG    1        6.299  -0.112  -1.480  0.00  0.00    +0.149 HD
BRANCH  24  26
ATOM     26  C   LIG    1        5.386  -0.272   0.223  0.00  0.00    +0.176 C 
ATOM     27  N   LIG    1        4.235  -0.544   0.887  0.00  0.00    -0.316 N 
ATOM     28  H   LIG    1        3.422  -0.084   0.497  0.00  0.00    +0.149 HD
ATOM     29  C   LIG    1        4.480  -0.270   2.287  0.00  0.00    +0.127 C 
ATOM     30  C   LIG    1        6.011  -0.245   2.329  0.00  0.00    +0.163 C 
ATOM     31  N   LIG    1        6.465  -0.062   0.921  0.00  0.00    -0.255 NA
ENDBRANCH  24  26
ENDBRANCH  23  24
ENDBRANCH   6  23
TORSDOF 8