REMARK  Name = BDB060566
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.319  -1.945   0.308  0.00  0.00    +0.014 A 
ATOM      2  C   LIG    1       -0.462  -1.343   1.242  0.00  0.00    +0.125 A 
ATOM      3  C   LIG    1       -0.259  -1.913   2.501  0.00  0.00    +0.046 A 
ATOM      4  C   LIG    1       -0.871  -3.122   2.825  0.00  0.00    +0.004 A 
ATOM      5  C   LIG    1       -1.689  -3.757   1.894  0.00  0.00    +0.001 A 
ATOM      6  C   LIG    1       -1.911  -3.174   0.644  0.00  0.00    +0.009 A 
ENDROOT
BRANCH   1   7
ATOM      7  C   LIG    1       -1.577  -1.308  -1.038  0.00  0.00    +0.162 C 
BRANCH   7  10
ATOM      8  C   LIG    1       -3.148  -2.745  -3.289  0.00  0.00    +0.065 C 
ATOM      9  C   LIG    1       -3.715  -1.780  -2.318  0.00  0.00    +0.036 A 
ATOM     10  N   LIG    1       -2.999  -1.143  -1.323  0.00  0.00    -0.323 N 
ATOM     11  C   LIG    1       -3.872  -0.308  -0.646  0.00  0.00    +0.141 A 
ATOM     12  N   LIG    1       -5.093  -0.427  -1.135  0.00  0.00    -0.236 NA
ATOM     13  C   LIG    1       -5.005  -1.319  -2.168  0.00  0.00    +0.134 A 
BRANCH  11  14
ATOM     14  C   LIG    1       -3.511   0.547   0.481  0.00  0.00    +0.020 A 
ATOM     15  C   LIG    1       -3.944   0.214   1.768  0.00  0.00    +0.051 A 
ATOM     16  C   LIG    1       -3.579   1.012   2.849  0.00  0.00    +0.142 A 
ATOM     17  F   LIG    1       -3.990   0.663   4.077  0.00  0.00    -0.204 F 
ATOM     18  C   LIG    1       -2.798   2.151   2.659  0.00  0.00    +0.076 A 
ATOM     19 CL   LIG    1       -2.344   3.138   3.994  0.00  0.00    -0.081 Cl
ATOM     20  C   LIG    1       -2.381   2.503   1.376  0.00  0.00    +0.023 A 
ATOM     21  C   LIG    1       -2.742   1.703   0.288  0.00  0.00    +0.013 A 
ENDBRANCH  11  14
ENDBRANCH   7  10
ENDBRANCH   1   7
BRANCH   2  22
ATOM     22  O   LIG    1        0.114  -0.136   0.939  0.00  0.00    -0.492 OA
BRANCH  22  23
ATOM     23  C   LIG    1        1.534  -0.258   0.796  0.00  0.00    +0.229 C 
BRANCH  23  24
ATOM     24  C   LIG    1        2.054   1.061   0.230  0.00  0.00    +0.041 C 
BRANCH  24  25
ATOM     25  C   LIG    1        3.564   1.013  -0.007  0.00  0.00    +0.007 C 
BRANCH  25  26
ATOM     26  C   LIG    1        4.114   2.285  -0.691  0.00  0.00    -0.003 C 
ATOM     27  C   LIG    1        4.018   3.500   0.238  0.00  0.00    +0.008 C 
BRANCH  26  28
ATOM     28  C   LIG    1        5.581   2.087  -1.118  0.00  0.00    +0.123 C 
BRANCH  28  29
ATOM     29  C   LIG    1        5.731   1.155  -2.294  0.00  0.00    +0.305 C 
ATOM     30  O   LIG    1        4.847   0.678  -2.984  0.00  0.00    -0.251 OA
BRANCH  29  31
ATOM     31  O   LIG    1        7.026   0.877  -2.549  0.00  0.00    -0.481 OA
ATOM     32  H   LIG    1        6.995   0.271  -3.321  0.00  0.00    +0.295 HD
ENDBRANCH  29  31
ENDBRANCH  28  29
ENDBRANCH  26  28
ENDBRANCH  25  26
ENDBRANCH  24  25
ENDBRANCH  23  24
ENDBRANCH  22  23
ENDBRANCH   2  22
TORSDOF 11