REMARK  Name = BDB051846
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.258  -1.054  -0.690  0.00  0.00    +0.072 A 
ATOM      2  C   LIG    1       -1.360  -1.806   0.472  0.00  0.00    +0.135 A 
ATOM      3  F   LIG    1       -2.551  -2.028   1.047  0.00  0.00    -0.205 F 
ATOM      4  C   LIG    1       -0.216  -2.326   1.065  0.00  0.00    +0.039 A 
ATOM      5  C   LIG    1        1.036  -2.093   0.485  0.00  0.00    +0.007 A 
ATOM      6  C   LIG    1        1.157  -1.325  -0.687  0.00  0.00    -0.041 A 
ATOM      7  C   LIG    1       -0.013  -0.828  -1.286  0.00  0.00    +0.020 A 
ENDROOT
BRANCH   1   9
ATOM      8  O   LIG    1       -3.046  -1.266  -2.127  0.00  0.00    -0.270 OA
ATOM      9  C   LIG    1       -2.470  -0.533  -1.328  0.00  0.00    +0.249 C 
ATOM     10  N   LIG    1       -2.876   0.765  -1.029  0.00  0.00    -0.296 N 
ATOM     11  C   LIG    1       -4.152   1.214  -1.584  0.00  0.00    +0.123 C 
ATOM     12  C   LIG    1       -5.375   0.696  -0.804  0.00  0.00    +0.100 C 
ATOM     13  N   LIG    1       -5.251   0.557   0.654  0.00  0.00    -0.314 NA
ATOM     14  H   LIG    1       -4.755  -0.317   0.844  0.00  0.00    +0.122 HD
ATOM     15  C   LIG    1       -4.550   1.659   1.308  0.00  0.00    +0.082 C 
ATOM     16  C   LIG    1       -3.035   1.447   1.374  0.00  0.00    +0.034 C 
ATOM     17  C   LIG    1       -2.317   1.598   0.035  0.00  0.00    +0.109 C 
ENDBRANCH   1   9
BRANCH   6  18
ATOM     18  C   LIG    1        2.492  -1.086  -1.371  0.00  0.00    +0.090 C 
BRANCH  18  19
ATOM     19  C   LIG    1        3.690  -0.982  -0.455  0.00  0.00    +0.046 A 
ATOM     20  N   LIG    1        3.955   0.153   0.353  0.00  0.00    -0.296 N 
ATOM     21  C   LIG    1        5.062   0.161   1.212  0.00  0.00    +0.131 A 
ATOM     22  C   LIG    1        5.076   1.346   1.916  0.00  0.00    +0.073 A 
ATOM     23  C   LIG    1        3.985   2.117   1.480  0.00  0.00    +0.061 A 
ATOM     24 CL   LIG    1        6.181   1.868   3.097  0.00  0.00    -0.081 Cl
ATOM     25  C   LIG    1        5.972  -0.958   1.265  0.00  0.00    +0.274 A 
ATOM     26  O   LIG    1        6.965  -1.037   1.981  0.00  0.00    -0.266 OA
ATOM     27  N   LIG    1        5.649  -1.996   0.417  0.00  0.00    -0.326 N 
ATOM     28  H   LIG    1        6.287  -2.784   0.447  0.00  0.00    +0.168 HD
ATOM     29  C   LIG    1        3.337   1.381   0.521  0.00  0.00    +0.116 A 
ATOM     30 CL   LIG    1        1.982   1.902  -0.374  0.00  0.00    -0.063 Cl
ATOM     31  C   LIG    1        4.556  -2.017  -0.408  0.00  0.00    +0.108 A 
ENDBRANCH  18  19
ENDBRANCH   6  18
TORSDOF 3