REMARK  Name = BDB007082
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.066   0.598   0.761  0.00  0.00    +0.037 A 
ATOM      2  C   LIG    1       -0.013  -0.549   1.567  0.00  0.00    +0.023 A 
ATOM      3  C   LIG    1        1.023  -1.484   1.379  0.00  0.00    +0.001 A 
ATOM      4  C   LIG    1        1.347  -2.721   1.997  0.00  0.00    +0.027 A 
ATOM      5  C   LIG    1        2.482  -3.208   1.393  0.00  0.00    +0.087 A 
ATOM      6  N   LIG    1        2.877  -2.301   0.440  0.00  0.00    -0.342 N 
ATOM      7  C   LIG    1        1.988  -1.242   0.396  0.00  0.00    +0.049 A 
ATOM      8  C   LIG    1        1.955  -0.092  -0.409  0.00  0.00    +0.027 A 
ATOM      9  C   LIG    1        0.916   0.825  -0.207  0.00  0.00    +0.015 A 
ENDROOT
BRANCH   1  11
ATOM     10  O   LIG    1       -1.698   1.653   2.094  0.00  0.00    -0.270 OA
ATOM     11  C   LIG    1       -1.180   1.560   0.987  0.00  0.00    +0.244 C 
ATOM     12  N   LIG    1       -1.593   2.281  -0.113  0.00  0.00    -0.307 N 
ATOM     13  H   LIG    1       -1.291   1.981  -1.029  0.00  0.00    +0.149 HD
BRANCH  12  14
ATOM     14  C   LIG    1       -2.759   3.134  -0.058  0.00  0.00    +0.140 C 
BRANCH  14  15
ATOM     15  C   LIG    1       -3.955   2.443  -0.659  0.00  0.00    -0.027 A 
ATOM     16  C   LIG    1       -4.672   1.495   0.088  0.00  0.00    +0.051 A 
ATOM     17  C   LIG    1       -5.772   0.823  -0.455  0.00  0.00    +0.130 A 
ATOM     18  C   LIG    1       -6.158   1.103  -1.766  0.00  0.00    +0.046 A 
ATOM     19  C   LIG    1       -5.449   2.040  -2.523  0.00  0.00    +0.004 A 
ATOM     20  C   LIG    1       -4.351   2.704  -1.976  0.00  0.00    +0.005 A 
BRANCH  17  21
ATOM     21  O   LIG    1       -6.365  -0.066   0.394  0.00  0.00    -0.406 OA
BRANCH  21  22
ATOM     22  C   LIG    1       -7.481  -0.795  -0.085  0.00  0.00    +0.575 C 
ATOM     23  F   LIG    1       -8.497   0.030  -0.420  0.00  0.00    -0.133 F 
ATOM     24  F   LIG    1       -7.149  -1.555  -1.151  0.00  0.00    -0.133 F 
ATOM     25  F   LIG    1       -7.917  -1.617   0.895  0.00  0.00    -0.133 F 
ENDBRANCH  21  22
ENDBRANCH  17  21
ENDBRANCH  14  15
ENDBRANCH  12  14
ENDBRANCH   1  11
BRANCH   6  26
ATOM     26  C   LIG    1        4.043  -2.473  -0.421  0.00  0.00    +0.159 C 
BRANCH  26  27
ATOM     27  C   LIG    1        5.209  -1.631   0.030  0.00  0.00    +0.008 A 
ATOM     28  C   LIG    1        5.721  -0.633  -0.807  0.00  0.00    +0.131 A 
ATOM     29  F   LIG    1        5.166  -0.423  -2.009  0.00  0.00    -0.205 F 
ATOM     30  C   LIG    1        6.800   0.156  -0.426  0.00  0.00    +0.077 A 
ATOM     31  C   LIG    1        7.381  -0.058   0.815  0.00  0.00    +0.126 A 
ATOM     32  F   LIG    1        8.421   0.695   1.195  0.00  0.00    -0.205 F 
ATOM     33  C   LIG    1        6.902  -1.044   1.671  0.00  0.00    +0.039 A 
ATOM     34  C   LIG    1        5.818  -1.833   1.280  0.00  0.00    +0.011 A 
ENDBRANCH  26  27
ENDBRANCH   6  26
TORSDOF 7