REMARK  Name = BDB046428
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.197  -0.573   1.205  0.00  0.00    +0.020 A 
ATOM      2  C   LIG    1       -1.047  -1.193   0.932  0.00  0.00    +0.132 A 
ATOM      3  C   LIG    1       -2.232  -0.435   0.862  0.00  0.00    +0.001 A 
ATOM      4  C   LIG    1       -2.083   0.976   0.859  0.00  0.00    +0.012 A 
ATOM      5  C   LIG    1       -0.849   1.635   1.042  0.00  0.00    -0.041 A 
ATOM      6  C   LIG    1        0.271   0.829   1.264  0.00  0.00    +0.016 A 
ENDROOT
BRANCH   3   7
ATOM      7  C   LIG    1       -3.663  -1.030   0.767  0.00  0.00    -0.009 C 
ATOM      8  C   LIG    1       -4.673  -0.198   1.609  0.00  0.00    +0.015 C 
ATOM      9  C   LIG    1       -4.111  -1.004  -0.706  0.00  0.00    +0.015 C 
ATOM     10  C   LIG    1       -3.809  -2.475   1.303  0.00  0.00    +0.015 C 
ENDBRANCH   3   7
BRANCH   5  11
ATOM     11  C   LIG    1       -0.778   3.173   1.018  0.00  0.00    -0.013 C 
ATOM     12  C   LIG    1       -1.650   3.753   2.154  0.00  0.00    +0.015 C 
ATOM     13  C   LIG    1        0.650   3.738   1.203  0.00  0.00    +0.015 C 
ATOM     14  C   LIG    1       -1.298   3.697  -0.340  0.00  0.00    +0.015 C 
ENDBRANCH   5  11
BRANCH   1  16
ATOM     15  C   LIG    1        1.374  -2.137   2.790  0.00  0.00    +0.044 C 
ATOM     16  C   LIG    1        1.435  -1.333   1.514  0.00  0.00    -0.040 C 
ATOM     17  C   LIG    1        2.548  -1.311   0.752  0.00  0.00    +0.007 C 
BRANCH  17  18
ATOM     18  C   LIG    1        2.737  -0.602  -0.503  0.00  0.00    +0.039 C 
ATOM     19  C   LIG    1        3.911  -0.551  -1.153  0.00  0.00    +0.127 C 
ATOM     20  F   LIG    1        4.971  -1.196  -0.599  0.00  0.00    -0.205 F 
BRANCH  19  21
ATOM     21  C   LIG    1        4.185   0.157  -2.406  0.00  0.00    -0.009 C 
ATOM     22  C   LIG    1        5.381  -0.022  -3.004  0.00  0.00    +0.097 C 
ATOM     23  C   LIG    1        3.111   1.073  -2.941  0.00  0.00    +0.047 C 
BRANCH  22  24
ATOM     24  C   LIG    1        5.770   0.586  -4.289  0.00  0.00    +0.330 C 
ATOM     25  O   LIG    1        5.039   0.708  -5.254  0.00  0.00    -0.246 OA
BRANCH  24  26
ATOM     26  O   LIG    1        7.057   0.990  -4.265  0.00  0.00    -0.478 OA
ATOM     27  H   LIG    1        7.496   0.888  -3.400  0.00  0.00    +0.295 HD
ENDBRANCH  24  26
ENDBRANCH  22  24
ENDBRANCH  19  21
ENDBRANCH  17  18
ENDBRANCH   1  16
BRANCH   2  28
ATOM     28  O   LIG    1       -1.124  -2.554   0.761  0.00  0.00    -0.485 OA
BRANCH  28  29
ATOM     29  C   LIG    1       -0.375  -3.019  -0.378  0.00  0.00    +0.300 C 
BRANCH  29  30
ATOM     30  C   LIG    1       -1.178  -4.058  -1.140  0.00  0.00    +0.378 C 
ATOM     31  F   LIG    1       -1.222  -5.221  -0.438  0.00  0.00    -0.206 F 
ATOM     32  F   LIG    1       -0.556  -4.346  -2.314  0.00  0.00    -0.206 F 
ENDBRANCH  29  30
ENDBRANCH  28  29
ENDBRANCH   2  28
TORSDOF 10