REMARK  Name = BDB051771
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.292  -0.933  -1.194  0.00  0.00    +0.072 A 
ATOM      2  C   LIG    1        1.885  -2.183  -1.063  0.00  0.00    +0.135 A 
ATOM      3  F   LIG    1        1.399  -3.251  -1.714  0.00  0.00    -0.205 F 
ATOM      4  C   LIG    1        2.994  -2.349  -0.242  0.00  0.00    +0.039 A 
ATOM      5  C   LIG    1        3.530  -1.251   0.437  0.00  0.00    +0.007 A 
ATOM      6  C   LIG    1        2.978   0.032   0.279  0.00  0.00    -0.041 A 
ATOM      7  C   LIG    1        1.841   0.175  -0.537  0.00  0.00    +0.020 A 
ENDROOT
BRANCH   1  13
ATOM      8  C   LIG    1       -4.705  -1.022   0.311  0.00  0.00    +0.235 C 
ATOM      9  N   LIG    1       -3.683  -1.306  -0.583  0.00  0.00    -0.297 N 
ATOM     10  C   LIG    1       -2.809  -2.455  -0.300  0.00  0.00    +0.127 C 
ATOM     11  C   LIG    1       -1.327  -2.094  -0.499  0.00  0.00    +0.127 C 
ATOM     12  N   LIG    1       -1.071  -1.377  -1.757  0.00  0.00    -0.294 N 
ATOM     13  C   LIG    1        0.122  -0.734  -2.067  0.00  0.00    +0.249 C 
ATOM     14  O   LIG    1        0.249   0.042  -3.011  0.00  0.00    -0.270 OA
ATOM     15  C   LIG    1       -2.224  -1.201  -2.636  0.00  0.00    +0.127 C 
ATOM     16  C   LIG    1       -3.437  -0.643  -1.872  0.00  0.00    +0.127 C 
ATOM     17  O   LIG    1       -4.855  -1.742   1.313  0.00  0.00    -0.274 OA
BRANCH   8  18
ATOM     18  C   LIG    1       -5.621   0.268   0.183  0.00  0.00    +0.090 C 
ATOM     19  C   LIG    1       -4.782   1.473   0.638  0.00  0.00    +0.037 C 
ATOM     20  C   LIG    1       -6.211   0.495  -1.212  0.00  0.00    +0.037 C 
BRANCH  18  22
ATOM     21  C   LIG    1       -7.447   1.160   1.664  0.00  0.00    +0.102 C 
ATOM     22  N   LIG    1       -6.799   0.004   1.069  0.00  0.00    -0.307 NA
ATOM     23  H   LIG    1       -6.481  -0.631   1.813  0.00  0.00    +0.123 HD
ENDBRANCH  18  22
ENDBRANCH   8  18
ENDBRANCH   1  13
BRANCH   6  24
ATOM     24  C   LIG    1        3.519   1.252   1.004  0.00  0.00    +0.090 C 
BRANCH  24  25
ATOM     25  C   LIG    1        5.000   1.238   1.307  0.00  0.00    +0.046 A 
ATOM     26  N   LIG    1        5.997   1.445   0.318  0.00  0.00    -0.296 N 
ATOM     27  C   LIG    1        7.348   1.365   0.668  0.00  0.00    +0.114 A 
ATOM     28  C   LIG    1        8.129   1.556  -0.454  0.00  0.00    +0.054 A 
ATOM     29  C   LIG    1        7.257   1.796  -1.528  0.00  0.00    +0.078 A 
ATOM     30 CL   LIG    1        7.766   2.113  -3.119  0.00  0.00    -0.080 Cl
ATOM     31  C   LIG    1        7.763   1.110   2.026  0.00  0.00    +0.273 A 
ATOM     32  O   LIG    1        8.930   1.022   2.394  0.00  0.00    -0.266 OA
ATOM     33  N   LIG    1        6.724   0.964   2.919  0.00  0.00    -0.326 N 
ATOM     34  H   LIG    1        7.004   0.787   3.877  0.00  0.00    +0.168 HD
ATOM     35  C   LIG    1        5.975   1.743  -1.036  0.00  0.00    +0.133 A 
ATOM     36 CL   LIG    1        4.535   2.031  -1.908  0.00  0.00    -0.062 Cl
ATOM     37  C   LIG    1        5.396   1.019   2.580  0.00  0.00    +0.108 A 
ENDBRANCH  24  25
ENDBRANCH   6  24
TORSDOF 5