REMARK  Name = BDB009246
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.191  -0.577  -1.085  0.00  0.00    +0.037 A 
ATOM      2  C   LIG    1       -0.922  -1.228  -0.535  0.00  0.00    +0.017 A 
ATOM      3  C   LIG    1       -2.023  -1.565  -1.338  0.00  0.00    -0.041 A 
ATOM      4  C   LIG    1       -1.979  -1.260  -2.707  0.00  0.00    +0.004 A 
ATOM      5  C   LIG    1       -0.878  -0.599  -3.255  0.00  0.00    +0.001 A 
ATOM      6  C   LIG    1        0.204  -0.251  -2.446  0.00  0.00    +0.013 A 
ENDROOT
BRANCH   1   8
ATOM      7  O   LIG    1        1.122  -0.008   1.002  0.00  0.00    -0.270 OA
ATOM      8  C   LIG    1        1.324  -0.225  -0.186  0.00  0.00    +0.244 C 
ATOM      9  N   LIG    1        2.575  -0.195  -0.772  0.00  0.00    -0.311 N 
ATOM     10  H   LIG    1        2.682  -0.685  -1.651  0.00  0.00    +0.149 HD
BRANCH   9  11
ATOM     11  C   LIG    1        3.767  -0.047   0.046  0.00  0.00    +0.109 C 
BRANCH  11  12
ATOM     12  C   LIG    1        4.929   0.529  -0.760  0.00  0.00    +0.056 C 
BRANCH  12  13
ATOM     13  C   LIG    1        6.186   0.635   0.060  0.00  0.00    -0.011 A 
ATOM     14  C   LIG    1        7.038  -0.465   0.196  0.00  0.00    +0.127 A 
ATOM     15  F   LIG    1        6.739  -1.617  -0.421  0.00  0.00    -0.205 F 
ATOM     16  C   LIG    1        8.195  -0.395   0.966  0.00  0.00    +0.038 A 
ATOM     17  C   LIG    1        8.515   0.792   1.621  0.00  0.00    +0.003 A 
ATOM     18  C   LIG    1        7.673   1.899   1.504  0.00  0.00    +0.000 A 
ATOM     19  C   LIG    1        6.512   1.822   0.729  0.00  0.00    +0.006 A 
ENDBRANCH  12  13
ENDBRANCH  11  12
ENDBRANCH   9  11
ENDBRANCH   1   8
BRANCH   3  20
ATOM     20  C   LIG    1       -3.218  -2.292  -0.764  0.00  0.00    +0.092 C 
BRANCH  20  21
ATOM     21  C   LIG    1       -3.719  -1.728   0.562  0.00  0.00    +0.069 A 
ATOM     22  C   LIG    1       -4.394  -0.392   0.596  0.00  0.00    -0.016 A 
ATOM     23  C   LIG    1       -4.624   0.392  -0.666  0.00  0.00    +0.037 C 
ATOM     24  C   LIG    1       -5.621   1.542  -0.489  0.00  0.00    +0.005 C 
ATOM     25  C   LIG    1       -5.348   2.311   0.797  0.00  0.00    +0.005 C 
ATOM     26  C   LIG    1       -5.443   1.392   2.016  0.00  0.00    +0.041 C 
ATOM     27  C   LIG    1       -4.783   0.058   1.802  0.00  0.00    +0.023 A 
ATOM     28  C   LIG    1       -4.565  -0.773   3.013  0.00  0.00    +0.268 A 
ATOM     29  O   LIG    1       -4.929  -0.403   4.124  0.00  0.00    -0.266 OA
ATOM     30  N   LIG    1       -3.948  -1.977   2.809  0.00  0.00    -0.243 N 
ATOM     31  H   LIG    1       -3.779  -2.555   3.625  0.00  0.00    +0.192 HD
ATOM     32  N   LIG    1       -3.520  -2.465   1.615  0.00  0.00    -0.175 NA
ENDBRANCH  20  21
ENDBRANCH   3  20
TORSDOF 6