REMARK  Name = BDB046572
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.728   1.745   1.139  0.00  0.00    +0.244 C 
ATOM      2  N   LIG    1       -1.816   0.920   0.939  0.00  0.00    -0.307 N 
ATOM      3  H   LIG    1       -1.691   0.128   0.321  0.00  0.00    +0.149 HD
ATOM      4  O   LIG    1       -0.825   2.898   1.542  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   1   8
ATOM      5  C   LIG    1        3.159   0.197   0.134  0.00  0.00    -0.047 A 
ATOM      6  C   LIG    1        2.910   1.575   0.147  0.00  0.00    +0.004 A 
ATOM      7  C   LIG    1        1.644   2.062   0.478  0.00  0.00    +0.013 A 
ATOM      8  C   LIG    1        0.606   1.177   0.794  0.00  0.00    +0.037 A 
ATOM      9  C   LIG    1        0.855  -0.200   0.801  0.00  0.00    +0.013 A 
ATOM     10  C   LIG    1        2.123  -0.686   0.469  0.00  0.00    +0.004 A 
BRANCH   5  11
ATOM     11  C   LIG    1        4.526  -0.331  -0.236  0.00  0.00    +0.049 C 
BRANCH  11  13
ATOM     12  C   LIG    1        3.962  -1.230  -2.555  0.00  0.00    +0.019 C 
ATOM     13  C   LIG    1        4.818  -0.258  -1.746  0.00  0.00    +0.099 C 
BRANCH  13  14
ATOM     14  C   LIG    1        6.281  -0.573  -1.991  0.00  0.00    +0.308 C 
ATOM     15  O   LIG    1        6.993  -1.218  -1.237  0.00  0.00    -0.251 OA
BRANCH  14  16
ATOM     16  O   LIG    1        6.742  -0.075  -3.162  0.00  0.00    -0.480 OA
ATOM     17  H   LIG    1        6.075   0.411  -3.682  0.00  0.00    +0.295 HD
ENDBRANCH  14  16
ENDBRANCH  13  14
ENDBRANCH  11  13
ENDBRANCH   5  11
ENDBRANCH   1   8
BRANCH   2  18
ATOM     18  C   LIG    1       -3.153   1.444   1.084  0.00  0.00    +0.140 C 
BRANCH  18  19
ATOM     19  C   LIG    1       -4.164   0.330   1.241  0.00  0.00    -0.019 A 
ATOM     20  C   LIG    1       -4.601  -0.458   0.150  0.00  0.00    +0.059 A 
ATOM     21  C   LIG    1       -5.543  -1.480   0.378  0.00  0.00    +0.013 A 
ATOM     22  C   LIG    1       -6.036  -1.728   1.658  0.00  0.00    +0.001 A 
ATOM     23  C   LIG    1       -5.594  -0.964   2.732  0.00  0.00    +0.000 A 
ATOM     24  C   LIG    1       -4.664   0.055   2.526  0.00  0.00    +0.006 A 
BRANCH  20  25
ATOM     25  C   LIG    1       -4.068  -0.240  -1.248  0.00  0.00    +0.418 C 
ATOM     26  F   LIG    1       -2.714  -0.401  -1.311  0.00  0.00    -0.166 F 
ATOM     27  F   LIG    1       -4.579  -1.102  -2.172  0.00  0.00    -0.166 F 
ATOM     28  F   LIG    1       -4.323   1.008  -1.726  0.00  0.00    -0.166 F 
ENDBRANCH  20  25
ENDBRANCH  18  19
ENDBRANCH   2  18
TORSDOF 8