REMARK  Name = BDB051823
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.193   1.142  -2.042  0.00  0.00    +0.072 A 
ATOM      2  C   LIG    1       -0.607   2.374  -2.307  0.00  0.00    +0.135 A 
ATOM      3  F   LIG    1        0.685   2.466  -2.652  0.00  0.00    -0.205 F 
ATOM      4  C   LIG    1       -1.362   3.539  -2.231  0.00  0.00    +0.039 A 
ATOM      5  C   LIG    1       -2.716   3.468  -1.895  0.00  0.00    +0.007 A 
ATOM      6  C   LIG    1       -3.331   2.231  -1.625  0.00  0.00    -0.041 A 
ATOM      7  C   LIG    1       -2.557   1.064  -1.731  0.00  0.00    +0.020 A 
ENDROOT
BRANCH   1  13
ATOM      8  C   LIG    1        4.192  -0.956   1.106  0.00  0.00    +0.230 C 
ATOM      9  N   LIG    1        3.044  -0.856   0.317  0.00  0.00    -0.297 N 
ATOM     10  C   LIG    1        2.929  -1.365  -1.055  0.00  0.00    +0.127 C 
ATOM     11  C   LIG    1        1.475  -1.520  -1.519  0.00  0.00    +0.127 C 
ATOM     12  N   LIG    1        0.694  -0.295  -1.344  0.00  0.00    -0.294 N 
ATOM     13  C   LIG    1       -0.422  -0.108  -2.151  0.00  0.00    +0.249 C 
ATOM     14  O   LIG    1       -0.833  -0.957  -2.940  0.00  0.00    -0.270 OA
ATOM     15  C   LIG    1        1.068   0.571  -0.215  0.00  0.00    +0.127 C 
ATOM     16  C   LIG    1        1.869  -0.170   0.864  0.00  0.00    +0.127 C 
ATOM     17  O   LIG    1        4.196  -0.533   2.263  0.00  0.00    -0.274 OA
BRANCH   8  18
ATOM     18  C   LIG    1        5.417  -1.625   0.440  0.00  0.00    +0.180 C 
BRANCH  18  20
ATOM     19  C   LIG    1        7.823  -1.831   0.414  0.00  0.00    +0.105 C 
ATOM     20  N   LIG    1        6.657  -1.521   1.243  0.00  0.00    -0.300 NA
ATOM     21  C   LIG    1        6.622  -2.420   2.400  0.00  0.00    +0.105 C 
ENDBRANCH  18  20
ENDBRANCH   8  18
ENDBRANCH   1  13
BRANCH   6  22
ATOM     22  C   LIG    1       -4.816   2.198  -1.313  0.00  0.00    +0.090 C 
BRANCH  22  23
ATOM     23  C   LIG    1       -5.281   1.055  -0.440  0.00  0.00    +0.046 A 
ATOM     24  N   LIG    1       -5.036   0.993   0.957  0.00  0.00    -0.296 N 
ATOM     25  C   LIG    1       -5.462  -0.120   1.687  0.00  0.00    +0.114 A 
ATOM     26  C   LIG    1       -5.080   0.019   3.007  0.00  0.00    +0.054 A 
ATOM     27  C   LIG    1       -4.427   1.257   3.120  0.00  0.00    +0.078 A 
ATOM     28 CL   LIG    1       -3.793   1.875   4.571  0.00  0.00    -0.080 Cl
ATOM     29  C   LIG    1       -6.180  -1.204   1.063  0.00  0.00    +0.273 A 
ATOM     30  O   LIG    1       -6.583  -2.203   1.651  0.00  0.00    -0.266 OA
ATOM     31  N   LIG    1       -6.396  -1.038  -0.287  0.00  0.00    -0.326 N 
ATOM     32  H   LIG    1       -6.896  -1.795  -0.739  0.00  0.00    +0.168 HD
ATOM     33  C   LIG    1       -4.428   1.837   1.873  0.00  0.00    +0.133 A 
ATOM     34 CL   LIG    1       -3.813   3.378   1.466  0.00  0.00    -0.062 Cl
ATOM     35  C   LIG    1       -5.964   0.041  -1.015  0.00  0.00    +0.108 A 
ENDBRANCH  22  23
ENDBRANCH   6  22
TORSDOF 5