REMARK  Name = BDB064496
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.009  -2.341  -3.174  0.00  0.00    +0.119 C 
ENDROOT
BRANCH   1   8
ATOM      2  C   LIG    1       -3.299  -1.775   0.599  0.00  0.00    +0.047 C 
ATOM      3  C   LIG    1       -2.572  -1.169  -0.569  0.00  0.00    -0.008 A 
ATOM      4  C   LIG    1       -2.695   0.186  -0.913  0.00  0.00    +0.128 A 
ATOM      5  C   LIG    1       -2.125   0.670  -2.102  0.00  0.00    -0.008 A 
ATOM      6  C   LIG    1       -2.358   2.070  -2.593  0.00  0.00    +0.047 C 
ATOM      7  C   LIG    1       -1.275  -0.170  -2.841  0.00  0.00    +0.012 A 
ATOM      8  C   LIG    1       -1.019  -1.486  -2.433  0.00  0.00    -0.033 A 
ATOM      9  C   LIG    1       -1.716  -1.986  -1.325  0.00  0.00    +0.012 A 
BRANCH   4  10
ATOM     10  O   LIG    1       -3.438   1.032  -0.133  0.00  0.00    -0.475 OA
BRANCH  10  11
ATOM     11  C   LIG    1       -2.732   1.612   0.979  0.00  0.00    +0.200 C 
ATOM     12  C   LIG    1       -3.632   1.379   2.210  0.00  0.00    +0.067 C 
ATOM     13  C   LIG    1       -2.711   3.136   0.754  0.00  0.00    +0.067 C 
BRANCH  11  14
ATOM     14  C   LIG    1       -1.297   1.134   1.350  0.00  0.00    +0.348 C 
ATOM     15  O   LIG    1       -1.012   0.313   2.213  0.00  0.00    -0.247 OA
BRANCH  14  16
ATOM     16  O   LIG    1       -0.323   1.723   0.620  0.00  0.00    -0.478 OA
ATOM     17  H   LIG    1        0.515   1.257   0.874  0.00  0.00    +0.295 HD
ENDBRANCH  14  16
ENDBRANCH  11  14
ENDBRANCH  10  11
ENDBRANCH   4  10
ENDBRANCH   1   8
BRANCH   1  18
ATOM     18  N   LIG    1        1.378  -2.299  -2.683  0.00  0.00    -0.295 NA
ATOM     19  C   LIG    1        1.603  -3.054  -1.436  0.00  0.00    +0.103 C 
ATOM     20  C   LIG    1        2.582  -2.405  -0.427  0.00  0.00    +0.123 C 
ATOM     21  N   LIG    1        2.162  -1.033  -0.154  0.00  0.00    -0.297 N 
ATOM     22  C   LIG    1        1.884  -0.183  -1.317  0.00  0.00    +0.123 C 
ATOM     23  C   LIG    1        1.990  -0.963  -2.651  0.00  0.00    +0.103 C 
BRANCH  21  24
ATOM     24  C   LIG    1        2.659  -0.405   0.967  0.00  0.00    +0.218 A 
ATOM     25  N   LIG    1        3.490  -1.073   1.784  0.00  0.00    -0.222 NA
ATOM     26  C   LIG    1        3.969  -0.429   2.867  0.00  0.00    +0.128 A 
ATOM     27  C   LIG    1        3.658   0.869   3.178  0.00  0.00    +0.091 A 
ATOM     28  C   LIG    1        2.783   1.471   2.308  0.00  0.00    +0.128 A 
ATOM     29  N   LIG    1        2.268   0.864   1.217  0.00  0.00    -0.222 NA
BRANCH  27  30
ATOM     30  C   LIG    1        4.204   1.574   4.365  0.00  0.00    +0.420 C 
ATOM     31  F   LIG    1        4.744   2.784   4.051  0.00  0.00    -0.166 F 
ATOM     32  F   LIG    1        3.255   1.827   5.307  0.00  0.00    -0.166 F 
ATOM     33  F   LIG    1        5.191   0.884   5.002  0.00  0.00    -0.166 F 
ENDBRANCH  27  30
ENDBRANCH  21  24
ENDBRANCH   1  18
TORSDOF 8