REMARK  Name = BDB051830
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.192  -1.093   2.023  0.00  0.00    +0.072 A 
ATOM      2  C   LIG    1       -0.440  -2.259   2.126  0.00  0.00    +0.135 A 
ATOM      3  F   LIG    1        0.868  -2.215   2.420  0.00  0.00    -0.205 F 
ATOM      4  C   LIG    1       -1.036  -3.498   1.922  0.00  0.00    +0.039 A 
ATOM      5  C   LIG    1       -2.398  -3.572   1.619  0.00  0.00    +0.007 A 
ATOM      6  C   LIG    1       -3.178  -2.407   1.509  0.00  0.00    -0.041 A 
ATOM      7  C   LIG    1       -2.564  -1.166   1.744  0.00  0.00    +0.020 A 
ENDROOT
BRANCH   1   9
ATOM      8  O   LIG    1       -1.150   0.930   3.132  0.00  0.00    -0.270 OA
ATOM      9  C   LIG    1       -0.594   0.228   2.291  0.00  0.00    +0.249 C 
ATOM     10  N   LIG    1        0.545   0.624   1.592  0.00  0.00    -0.294 N 
ATOM     11  C   LIG    1        1.092   1.949   1.893  0.00  0.00    +0.127 C 
ATOM     12  C   LIG    1        2.599   2.031   1.623  0.00  0.00    +0.127 C 
ATOM     13  N   LIG    1        2.966   1.505   0.301  0.00  0.00    -0.298 N 
ATOM     14  C   LIG    1        4.023   2.110  -0.371  0.00  0.00    +0.219 C 
ATOM     15  O   LIG    1        4.548   3.141   0.053  0.00  0.00    -0.275 OA
ATOM     16  C   LIG    1        2.409   0.181  -0.001  0.00  0.00    +0.127 C 
ATOM     17  C   LIG    1        0.897   0.115   0.261  0.00  0.00    +0.127 C 
BRANCH  14  18
ATOM     18  C   LIG    1        4.519   1.458  -1.667  0.00  0.00    +0.075 C 
ATOM     19  C   LIG    1        5.394   0.236  -1.396  0.00  0.00    +0.013 C 
ATOM     20  C   LIG    1        6.774   0.817  -1.117  0.00  0.00    +0.001 C 
ATOM     21  C   LIG    1        6.865   2.086  -1.956  0.00  0.00    +0.001 C 
ATOM     22  C   LIG    1        5.454   2.367  -2.470  0.00  0.00    +0.013 C 
ENDBRANCH  14  18
ENDBRANCH   1   9
BRANCH   6  23
ATOM     23  C   LIG    1       -4.664  -2.536   1.225  0.00  0.00    +0.090 C 
BRANCH  23  24
ATOM     24  C   LIG    1       -5.292  -1.384   0.474  0.00  0.00    +0.046 A 
ATOM     25  N   LIG    1       -5.096  -1.159  -0.912  0.00  0.00    -0.296 N 
ATOM     26  C   LIG    1       -5.678  -0.045  -1.524  0.00  0.00    +0.114 A 
ATOM     27  C   LIG    1       -5.317  -0.007  -2.856  0.00  0.00    +0.054 A 
ATOM     28  C   LIG    1       -4.516  -1.133  -3.099  0.00  0.00    +0.078 A 
ATOM     29 CL   LIG    1       -3.846  -1.522  -4.612  0.00  0.00    -0.080 Cl
ATOM     30  C   LIG    1       -6.511   0.873  -0.787  0.00  0.00    +0.273 A 
ATOM     31  O   LIG    1       -7.053   1.862  -1.269  0.00  0.00    -0.266 OA
ATOM     32  N   LIG    1       -6.667   0.553   0.544  0.00  0.00    -0.326 N 
ATOM     33  H   LIG    1       -7.246   1.194   1.075  0.00  0.00    +0.168 HD
ATOM     34  C   LIG    1       -4.411  -1.826  -1.917  0.00  0.00    +0.133 A 
ATOM     35 CL   LIG    1       -3.598  -3.309  -1.674  0.00  0.00    -0.062 Cl
ATOM     36  C   LIG    1       -6.082  -0.525   1.156  0.00  0.00    +0.108 A 
ENDBRANCH  23  24
ENDBRANCH   6  23
TORSDOF 4