REMARK  Name = BDB051837
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.597  -0.948   0.249  0.00  0.00    +0.072 A 
ATOM      2  C   LIG    1       -0.990  -1.848  -0.735  0.00  0.00    +0.135 A 
ATOM      3  F   LIG    1       -0.292  -2.967  -0.970  0.00  0.00    -0.205 F 
ATOM      4  C   LIG    1       -2.125  -1.599  -1.499  0.00  0.00    +0.039 A 
ATOM      5  C   LIG    1       -2.890  -0.452  -1.265  0.00  0.00    +0.007 A 
ATOM      6  C   LIG    1       -2.541   0.445  -0.242  0.00  0.00    -0.041 A 
ATOM      7  C   LIG    1       -1.377   0.188   0.505  0.00  0.00    +0.020 A 
ENDROOT
BRANCH   1  12
ATOM      8  N   LIG    1        4.586  -1.529  -0.606  0.00  0.00    -0.299 NA
ATOM      9  C   LIG    1        3.573  -0.615  -1.139  0.00  0.00    +0.103 C 
ATOM     10  C   LIG    1        2.133  -1.129  -0.937  0.00  0.00    +0.123 C 
ATOM     11  N   LIG    1        1.832  -1.372   0.481  0.00  0.00    -0.295 N 
ATOM     12  C   LIG    1        0.594  -1.190   1.084  0.00  0.00    +0.249 C 
ATOM     13  O   LIG    1        0.438  -1.183   2.304  0.00  0.00    -0.270 OA
ATOM     14  C   LIG    1        2.974  -1.698   1.336  0.00  0.00    +0.123 C 
ATOM     15  C   LIG    1        4.145  -2.317   0.552  0.00  0.00    +0.103 C 
BRANCH   8  16
ATOM     16  C   LIG    1        5.949  -1.011  -0.557  0.00  0.00    +0.084 C 
BRANCH  16  17
ATOM     17  C   LIG    1        6.398  -0.191   0.667  0.00  0.00    +0.015 C 
BRANCH  17  19
ATOM     18  C   LIG    1        6.030   2.140  -0.301  0.00  0.00    +0.004 C 
ATOM     19  C   LIG    1        5.773   1.190   0.858  0.00  0.00    -0.002 C 
ENDBRANCH  17  19
ENDBRANCH  16  17
ENDBRANCH   8  16
ENDBRANCH   1  12
BRANCH   6  20
ATOM     20  C   LIG    1       -3.329   1.710   0.049  0.00  0.00    +0.090 C 
BRANCH  20  21
ATOM     21  C   LIG    1       -4.798   1.677  -0.308  0.00  0.00    +0.046 A 
ATOM     22  N   LIG    1       -5.766   0.974   0.455  0.00  0.00    -0.296 N 
ATOM     23  C   LIG    1       -7.101   0.960   0.038  0.00  0.00    +0.114 A 
ATOM     24  C   LIG    1       -7.848   0.189   0.905  0.00  0.00    +0.054 A 
ATOM     25  C   LIG    1       -6.977  -0.271   1.906  0.00  0.00    +0.078 A 
ATOM     26 CL   LIG    1       -7.453  -1.246   3.212  0.00  0.00    -0.080 Cl
ATOM     27  C   LIG    1       -7.532   1.675  -1.139  0.00  0.00    +0.273 A 
ATOM     28  O   LIG    1       -8.686   1.703  -1.554  0.00  0.00    -0.266 OA
ATOM     29  N   LIG    1       -6.526   2.352  -1.792  0.00  0.00    -0.326 N 
ATOM     30  H   LIG    1       -6.818   2.861  -2.618  0.00  0.00    +0.168 HD
ATOM     31  C   LIG    1       -5.728   0.229   1.623  0.00  0.00    +0.133 A 
ATOM     32 CL   LIG    1       -4.311   0.022   2.556  0.00  0.00    -0.062 Cl
ATOM     33  C   LIG    1       -5.212   2.354  -1.401  0.00  0.00    +0.108 A 
ENDBRANCH  20  21
ENDBRANCH   6  20
TORSDOF 6