REMARK  Name = BDB051821
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.361   0.653  -0.568  0.00  0.00    +0.072 A 
ATOM      2  C   LIG    1       -0.405  -0.220  -1.647  0.00  0.00    +0.135 A 
ATOM      3  F   LIG    1        0.550  -0.204  -2.588  0.00  0.00    -0.205 F 
ATOM      4  C   LIG    1       -1.422  -1.162  -1.738  0.00  0.00    +0.039 A 
ATOM      5  C   LIG    1       -2.409  -1.222  -0.748  0.00  0.00    +0.007 A 
ATOM      6  C   LIG    1       -2.398  -0.326   0.336  0.00  0.00    -0.041 A 
ATOM      7  C   LIG    1       -1.349   0.605   0.424  0.00  0.00    +0.020 A 
ENDROOT
BRANCH   1   9
ATOM      8  O   LIG    1        0.733   2.553  -1.315  0.00  0.00    -0.270 OA
ATOM      9  C   LIG    1        0.715   1.651  -0.483  0.00  0.00    +0.249 C 
ATOM     10  N   LIG    1        1.625   1.547   0.570  0.00  0.00    -0.294 N 
ATOM     11  C   LIG    1        2.728   2.512   0.595  0.00  0.00    +0.127 C 
ATOM     12  C   LIG    1        3.956   1.952  -0.151  0.00  0.00    +0.124 C 
ATOM     13  N   LIG    1        4.344   0.637   0.421  0.00  0.00    -0.325 N 
ATOM     14  C   LIG    1        3.226  -0.345   0.453  0.00  0.00    +0.124 C 
ATOM     15  C   LIG    1        1.997   0.258   1.171  0.00  0.00    +0.127 C 
BRANCH  13  16
ATOM     16  C   LIG    1        5.578   0.077   0.033  0.00  0.00    +0.065 A 
ATOM     17  C   LIG    1        6.163  -0.975   0.769  0.00  0.00    +0.144 A 
ATOM     18  F   LIG    1        5.557  -1.448   1.872  0.00  0.00    -0.204 F 
ATOM     19  C   LIG    1        7.388  -1.546   0.418  0.00  0.00    +0.040 A 
ATOM     20  C   LIG    1        8.078  -1.072  -0.691  0.00  0.00    +0.003 A 
ATOM     21  C   LIG    1        7.539  -0.027  -1.435  0.00  0.00    +0.002 A 
ATOM     22  C   LIG    1        6.309   0.542  -1.074  0.00  0.00    +0.026 A 
ENDBRANCH  13  16
ENDBRANCH   1   9
BRANCH   6  23
ATOM     23  C   LIG    1       -3.433  -0.376   1.447  0.00  0.00    +0.090 C 
BRANCH  23  24
ATOM     24  C   LIG    1       -4.815  -0.836   1.042  0.00  0.00    +0.046 A 
ATOM     25  N   LIG    1       -5.722  -0.024   0.314  0.00  0.00    -0.296 N 
ATOM     26  C   LIG    1       -6.967  -0.539  -0.061  0.00  0.00    +0.114 A 
ATOM     27  C   LIG    1       -7.657   0.406  -0.793  0.00  0.00    +0.054 A 
ATOM     28  C   LIG    1       -6.849   1.553  -0.854  0.00  0.00    +0.078 A 
ATOM     29 CL   LIG    1       -7.294   2.995  -1.636  0.00  0.00    -0.080 Cl
ATOM     30  C   LIG    1       -7.375  -1.872   0.308  0.00  0.00    +0.273 A 
ATOM     31  O   LIG    1       -8.452  -2.379   0.013  0.00  0.00    -0.266 OA
ATOM     32  N   LIG    1       -6.441  -2.568   1.044  0.00  0.00    -0.326 N 
ATOM     33  H   LIG    1       -6.719  -3.505   1.312  0.00  0.00    +0.168 HD
ATOM     34  C   LIG    1       -5.693   1.278  -0.163  0.00  0.00    +0.133 A 
ATOM     35 CL   LIG    1       -4.399   2.354   0.130  0.00  0.00    -0.062 Cl
ATOM     36  C   LIG    1       -5.210  -2.078   1.397  0.00  0.00    +0.108 A 
ENDBRANCH  23  24
ENDBRANCH   6  23
TORSDOF 4