REMARK  Name = BDB051828
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.217  -1.683   0.730  0.00  0.00    +0.072 A 
ATOM      2  C   LIG    1       -0.510  -2.852   0.471  0.00  0.00    +0.135 A 
ATOM      3  F   LIG    1        0.499  -3.236   1.266  0.00  0.00    -0.205 F 
ATOM      4  C   LIG    1       -0.838  -3.639  -0.626  0.00  0.00    +0.039 A 
ATOM      5  C   LIG    1       -1.892  -3.260  -1.461  0.00  0.00    +0.007 A 
ATOM      6  C   LIG    1       -2.626  -2.086  -1.213  0.00  0.00    -0.041 A 
ATOM      7  C   LIG    1       -2.292  -1.313  -0.090  0.00  0.00    +0.020 A 
ENDROOT
BRANCH   1  14
ATOM      8  O   LIG    1        4.217   2.393   3.784  0.00  0.00    -0.267 OA
ATOM      9  C   LIG    1        4.151   1.439   3.003  0.00  0.00    +0.282 C 
ATOM     10  N   LIG    1        2.913   0.992   2.537  0.00  0.00    -0.292 N 
ATOM     11  C   LIG    1        2.737  -0.036   1.503  0.00  0.00    +0.127 C 
ATOM     12  C   LIG    1        1.306  -0.102   0.946  0.00  0.00    +0.127 C 
ATOM     13  N   LIG    1        0.296  -0.200   2.007  0.00  0.00    -0.294 N 
ATOM     14  C   LIG    1       -0.919  -0.869   1.917  0.00  0.00    +0.249 C 
ATOM     15  O   LIG    1       -1.801  -0.787   2.771  0.00  0.00    -0.270 OA
ATOM     16  C   LIG    1        0.558   0.569   3.227  0.00  0.00    +0.127 C 
ATOM     17  C   LIG    1        1.691   1.591   3.078  0.00  0.00    +0.127 C 
BRANCH   9  18
ATOM     18  C   LIG    1        5.378   0.774   2.574  0.00  0.00    +0.194 A 
ATOM     19  N   LIG    1        6.623   1.207   2.975  0.00  0.00    -0.341 N 
ATOM     20  H   LIG    1        6.776   2.004   3.579  0.00  0.00    +0.167 HD
ATOM     21  C   LIG    1        7.564   0.386   2.423  0.00  0.00    +0.104 A 
ATOM     22  C   LIG    1        6.847  -0.539   1.705  0.00  0.00    +0.130 A 
ATOM     23  N   LIG    1        5.501  -0.294   1.803  0.00  0.00    -0.232 NA
ENDBRANCH   9  18
ENDBRANCH   1  14
BRANCH   6  24
ATOM     24  C   LIG    1       -3.803  -1.748  -2.109  0.00  0.00    +0.090 C 
BRANCH  24  25
ATOM     25  C   LIG    1       -4.113  -0.276  -2.265  0.00  0.00    +0.046 A 
ATOM     26  N   LIG    1       -3.350   0.597  -3.081  0.00  0.00    -0.296 N 
ATOM     27  C   LIG    1       -3.690   1.952  -3.155  0.00  0.00    +0.114 A 
ATOM     28  C   LIG    1       -2.801   2.608  -3.983  0.00  0.00    +0.054 A 
ATOM     29  C   LIG    1       -1.893   1.649  -4.457  0.00  0.00    +0.078 A 
ATOM     30 CL   LIG    1       -0.617   1.988  -5.528  0.00  0.00    -0.080 Cl
ATOM     31  C   LIG    1       -4.820   2.488  -2.437  0.00  0.00    +0.273 A 
ATOM     32  O   LIG    1       -5.168   3.664  -2.463  0.00  0.00    -0.266 OA
ATOM     33  N   LIG    1       -5.511   1.558  -1.692  0.00  0.00    -0.326 N 
ATOM     34  H   LIG    1       -6.306   1.922  -1.179  0.00  0.00    +0.168 HD
ATOM     35  C   LIG    1       -2.249   0.439  -3.910  0.00  0.00    +0.133 A 
ATOM     36 CL   LIG    1       -1.498  -1.069  -4.197  0.00  0.00    -0.062 Cl
ATOM     37  C   LIG    1       -5.177   0.231  -1.604  0.00  0.00    +0.108 A 
ENDBRANCH  24  25
ENDBRANCH   6  24
TORSDOF 4