REMARK  Name = BDB018553
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.884  -6.038   0.025  0.00  0.00    +0.152 C 
ATOM      2  N   LIG    1        1.197  -4.621  -0.087  0.00  0.00    -0.318 N 
ATOM      3  C   LIG    1        2.526  -4.223  -0.139  0.00  0.00    +0.252 A 
ATOM      4  O   LIG    1        3.494  -4.976  -0.097  0.00  0.00    -0.268 OA
ATOM      5  C   LIG    1        2.757  -2.762  -0.255  0.00  0.00    +0.079 A 
ATOM      6  C   LIG    1        1.730  -1.894  -0.292  0.00  0.00    -0.002 A 
ATOM      7  C   LIG    1        0.340  -2.384  -0.220  0.00  0.00    +0.009 A 
ATOM      8  C   LIG    1        0.151  -3.716  -0.128  0.00  0.00    +0.098 A 
ENDROOT
BRANCH   6   9
ATOM      9  C   LIG    1        2.092  -0.470  -0.426  0.00  0.00    +0.001 A 
ATOM     10  C   LIG    1        2.522   0.273   0.672  0.00  0.00    +0.123 A 
ATOM     11  N   LIG    1        2.757   1.606   0.646  0.00  0.00    -0.221 NA
ATOM     12  C   LIG    1        2.562   2.230  -0.535  0.00  0.00    +0.220 A 
ATOM     13  C   LIG    1        2.180   1.576  -1.696  0.00  0.00    +0.068 A 
ATOM     14  C   LIG    1        1.935   0.206  -1.637  0.00  0.00    +0.015 A 
BRANCH  12  15
ATOM     15  O   LIG    1        2.766   3.584  -0.630  0.00  0.00    -0.417 OA
BRANCH  15  16
ATOM     16  C   LIG    1        2.769   4.204   0.641  0.00  0.00    +0.542 C 
ATOM     17  F   LIG    1        3.072   5.515   0.437  0.00  0.00    -0.166 F 
ATOM     18  F   LIG    1        1.505   4.188   1.142  0.00  0.00    -0.166 F 
ENDBRANCH  15  16
ENDBRANCH  12  15
ENDBRANCH   6   9
BRANCH   7  19
ATOM     19  C   LIG    1       -0.781  -1.488  -0.269  0.00  0.00    +0.022 A 
ATOM     20  C   LIG    1       -0.953  -0.333   0.460  0.00  0.00    +0.123 A 
ATOM     21  N   LIG    1       -2.133   0.250   0.039  0.00  0.00    -0.238 N 
ATOM     22  N   LIG    1       -2.769  -0.546  -0.846  0.00  0.00    -0.174 NA
ATOM     23  C   LIG    1       -1.949  -1.578  -1.043  0.00  0.00    +0.143 A 
BRANCH  21  24
ATOM     24  C   LIG    1       -2.641   1.536   0.393  0.00  0.00    +0.084 A 
ATOM     25  C   LIG    1       -3.978   1.920   0.130  0.00  0.00    +0.095 A 
ATOM     26  C   LIG    1       -4.380   3.229   0.466  0.00  0.00    +0.060 A 
ATOM     27 CL   LIG    1       -5.993   3.804   0.190  0.00  0.00    -0.082 Cl
ATOM     28  C   LIG    1       -3.488   4.133   1.050  0.00  0.00    +0.021 A 
ATOM     29  C   LIG    1       -2.180   3.749   1.313  0.00  0.00    +0.004 A 
ATOM     30  C   LIG    1       -1.757   2.461   0.990  0.00  0.00    +0.029 A 
BRANCH  25  31
ATOM     31  C   LIG    1       -4.970   1.024  -0.407  0.00  0.00    +0.103 C 
ATOM     32  N   LIG    1       -5.823   0.344  -0.806  0.00  0.00    -0.191 NA
ENDBRANCH  25  31
ENDBRANCH  21  24
ENDBRANCH   7  19
TORSDOF 6