REMARK  Name = BDB050472
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.935  -2.105  -0.576  0.00  0.00    +0.089 A 
ATOM      2  C   LIG    1       -1.400  -2.868  -1.650  0.00  0.00    +0.235 A 
ATOM      3  F   LIG    1       -0.563  -3.087  -2.679  0.00  0.00    -0.182 F 
ATOM      4  N   LIG    1       -2.631  -3.412  -1.736  0.00  0.00    -0.226 NA
ATOM      5  C   LIG    1       -3.459  -3.186  -0.693  0.00  0.00    +0.119 A 
ATOM      6  C   LIG    1       -3.119  -2.426   0.425  0.00  0.00    -0.008 A 
ATOM      7  C   LIG    1       -1.822  -1.892   0.476  0.00  0.00    +0.034 A 
ENDROOT
BRANCH   1  10
ATOM      8  O   LIG    1        0.539  -0.423   1.365  0.00  0.00    -0.275 OA
ATOM      9  C   LIG    1        1.036  -0.837   0.323  0.00  0.00    +0.222 C 
ATOM     10  N   LIG    1        0.392  -1.618  -0.621  0.00  0.00    -0.282 N 
ATOM     11  H   LIG    1        0.920  -1.889  -1.447  0.00  0.00    +0.155 HD
BRANCH   9  12
ATOM     12  C   LIG    1        2.479  -0.553  -0.057  0.00  0.00    +0.090 C 
ATOM     13  C   LIG    1        3.218   0.268   0.990  0.00  0.00    +0.097 C 
ATOM     14  N   LIG    1        4.277   0.895   0.191  0.00  0.00    -0.302 NA
ATOM     15  C   LIG    1        3.591   1.389  -1.002  0.00  0.00    +0.085 C 
ATOM     16  C   LIG    1        2.615   0.267  -1.343  0.00  0.00    +0.029 C 
BRANCH  14  17
ATOM     17  C   LIG    1        4.983   1.939   0.941  0.00  0.00    +0.084 C 
BRANCH  17  18
ATOM     18  C   LIG    1        6.189   2.538   0.197  0.00  0.00    +0.019 C 
BRANCH  18  19
ATOM     19  C   LIG    1        7.250   1.519  -0.120  0.00  0.00    -0.010 C 
ATOM     20  C   LIG    1        8.484   1.944  -0.876  0.00  0.00    +0.004 C 
ATOM     21  C   LIG    1        7.472   1.051  -1.536  0.00  0.00    +0.004 C 
ENDBRANCH  18  19
ENDBRANCH  17  18
ENDBRANCH  14  17
ENDBRANCH   9  12
ENDBRANCH   1  10
BRANCH   6  22
ATOM     22  C   LIG    1       -4.091  -2.222   1.563  0.00  0.00    +0.163 C 
BRANCH  22  23
ATOM     23  N   LIG    1       -5.346  -1.587   1.157  0.00  0.00    -0.289 N 
ATOM     24  C   LIG    1       -5.434  -0.175   0.952  0.00  0.00    +0.059 A 
ATOM     25  C   LIG    1       -6.649   0.387   0.538  0.00  0.00    +0.063 A 
ATOM     26  C   LIG    1       -6.782   1.764   0.313  0.00  0.00    +0.015 A 
ATOM     27  C   LIG    1       -5.692   2.606   0.505  0.00  0.00    +0.001 A 
ATOM     28  C   LIG    1       -4.478   2.069   0.923  0.00  0.00    +0.002 A 
ATOM     29  C   LIG    1       -7.813  -0.489   0.339  0.00  0.00    +0.262 A 
ATOM     30  O   LIG    1       -8.897  -0.055  -0.032  0.00  0.00    -0.267 OA
ATOM     31  N   LIG    1       -7.613  -1.815   0.593  0.00  0.00    -0.274 N 
ATOM     32  H   LIG    1       -8.400  -2.428   0.447  0.00  0.00    +0.173 HD
ATOM     33  C   LIG    1       -4.351   0.693   1.146  0.00  0.00    +0.027 A 
ATOM     34  C   LIG    1       -6.444  -2.413   0.962  0.00  0.00    +0.330 A 
ATOM     35  O   LIG    1       -6.409  -3.636   1.094  0.00  0.00    -0.246 OA
ENDBRANCH  22  23
ENDBRANCH   6  22
TORSDOF 7