REMARK  Name = BDB051834
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.233  -2.013  -0.871  0.00  0.00    +0.072 A 
ATOM      2  C   LIG    1       -0.014  -2.805   0.250  0.00  0.00    +0.135 A 
ATOM      3  F   LIG    1       -1.039  -3.357   0.915  0.00  0.00    -0.205 F 
ATOM      4  C   LIG    1        1.280  -3.021   0.709  0.00  0.00    +0.039 A 
ATOM      5  C   LIG    1        2.364  -2.454   0.031  0.00  0.00    +0.007 A 
ATOM      6  C   LIG    1        2.164  -1.675  -1.120  0.00  0.00    -0.041 A 
ATOM      7  C   LIG    1        0.849  -1.464  -1.569  0.00  0.00    +0.020 A 
ENDROOT
BRANCH   1   9
ATOM      8  O   LIG    1       -1.870  -2.325  -2.461  0.00  0.00    -0.270 OA
ATOM      9  C   LIG    1       -1.592  -1.798  -1.387  0.00  0.00    +0.249 C 
ATOM     10  N   LIG    1       -2.458  -0.973  -0.681  0.00  0.00    -0.295 N 
ATOM     11  C   LIG    1       -2.102  -0.205   0.518  0.00  0.00    +0.123 C 
ATOM     12  C   LIG    1       -3.342   0.343   1.249  0.00  0.00    +0.103 C 
ATOM     13  N   LIG    1       -4.192   1.210   0.405  0.00  0.00    -0.297 NA
ATOM     14  C   LIG    1       -4.215   0.759  -1.006  0.00  0.00    +0.103 C 
ATOM     15  C   LIG    1       -3.784  -0.700  -1.240  0.00  0.00    +0.123 C 
BRANCH  13  16
ATOM     16  C   LIG    1       -5.553   1.353   0.946  0.00  0.00    +0.112 C 
BRANCH  16  17
ATOM     17  C   LIG    1       -5.621   1.996   2.340  0.00  0.00    +0.171 C 
BRANCH  17  18
ATOM     18  O   LIG    1       -6.978   2.157   2.748  0.00  0.00    -0.394 OA
ATOM     19  H   LIG    1       -7.365   1.269   2.835  0.00  0.00    +0.209 HD
ENDBRANCH  17  18
ENDBRANCH  16  17
ENDBRANCH  13  16
ENDBRANCH   1   9
BRANCH   6  20
ATOM     20  C   LIG    1        3.329  -1.057  -1.870  0.00  0.00    +0.090 C 
BRANCH  20  21
ATOM     21  C   LIG    1        3.887   0.171  -1.186  0.00  0.00    +0.046 A 
ATOM     22  N   LIG    1        5.048   0.169  -0.369  0.00  0.00    -0.296 N 
ATOM     23  C   LIG    1        5.444   1.351   0.271  0.00  0.00    +0.114 A 
ATOM     24  C   LIG    1        6.554   1.107   1.054  0.00  0.00    +0.054 A 
ATOM     25  C   LIG    1        6.896  -0.241   0.876  0.00  0.00    +0.078 A 
ATOM     26 CL   LIG    1        8.224  -0.995   1.623  0.00  0.00    -0.080 Cl
ATOM     27  C   LIG    1        4.731   2.591   0.083  0.00  0.00    +0.273 A 
ATOM     28  O   LIG    1        5.032   3.655   0.612  0.00  0.00    -0.266 OA
ATOM     29  N   LIG    1        3.650   2.499  -0.764  0.00  0.00    -0.326 N 
ATOM     30  H   LIG    1        3.140   3.364  -0.905  0.00  0.00    +0.168 HD
ATOM     31  C   LIG    1        5.991  -0.783  -0.007  0.00  0.00    +0.133 A 
ATOM     32 CL   LIG    1        6.020  -2.375  -0.627  0.00  0.00    -0.062 Cl
ATOM     33  C   LIG    1        3.236   1.341  -1.369  0.00  0.00    +0.108 A 
ENDBRANCH  20  21
ENDBRANCH   6  20
TORSDOF 6