REMARK  Name = BDB033113
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.217   0.992   0.412  0.00  0.00    +0.161 C 
ATOM      2  C   LIG    1        0.566  -0.169  -0.217  0.00  0.00    +0.236 C 
ATOM      3  O   LIG    1        0.266  -1.352  -0.191  0.00  0.00    -0.274 OA
ATOM      4  N   LIG    1        1.702   0.377  -0.808  0.00  0.00    -0.296 N 
ATOM      5  C   LIG    1        1.779   1.803  -0.605  0.00  0.00    +0.110 C 
ATOM      6  C   LIG    1        0.336   2.196  -0.344  0.00  0.00    +0.051 C 
ENDROOT
BRANCH   1   9
ATOM      7  O   LIG    1       -2.079   0.559   2.477  0.00  0.00    -0.270 OA
ATOM      8  C   LIG    1       -2.449   0.475   1.310  0.00  0.00    +0.248 C 
ATOM      9  N   LIG    1       -1.647   0.833   0.251  0.00  0.00    -0.300 N 
ATOM     10  H   LIG    1       -1.984   0.551  -0.667  0.00  0.00    +0.150 HD
BRANCH   8  11
ATOM     11  C   LIG    1       -3.832  -0.012   0.989  0.00  0.00    +0.079 A 
ATOM     12  C   LIG    1       -4.279  -0.364  -0.300  0.00  0.00    +0.141 A 
ATOM     13  C   LIG    1       -5.598  -0.816  -0.501  0.00  0.00    +0.097 A 
ATOM     14  C   LIG    1       -6.461  -0.912   0.607  0.00  0.00    +0.016 A 
ATOM     15  C   LIG    1       -6.023  -0.579   1.885  0.00  0.00    +0.002 A 
ATOM     16  C   LIG    1       -4.716  -0.133   2.074  0.00  0.00    +0.017 A 
BRANCH  13  17
ATOM     17  C   LIG    1       -6.143  -1.163  -1.859  0.00  0.00    +0.421 C 
ATOM     18  F   LIG    1       -5.157  -1.407  -2.773  0.00  0.00    -0.166 F 
ATOM     19  F   LIG    1       -6.902  -0.167  -2.390  0.00  0.00    -0.166 F 
ATOM     20  F   LIG    1       -6.926  -2.276  -1.857  0.00  0.00    -0.166 F 
ENDBRANCH  13  17
BRANCH  12  21
ATOM     21  O   LIG    1       -3.405  -0.258  -1.357  0.00  0.00    -0.505 OA
ATOM     22  H   LIG    1       -3.709  -0.790  -2.120  0.00  0.00    +0.292 HD
ENDBRANCH  12  21
ENDBRANCH   8  11
ENDBRANCH   1   9
BRANCH   4  23
ATOM     23  C   LIG    1        2.817  -0.415  -1.292  0.00  0.00    +0.143 C 
BRANCH  23  24
ATOM     24  C   LIG    1        3.903  -0.581  -0.247  0.00  0.00    -0.018 A 
ATOM     25  C   LIG    1        5.151   0.080  -0.324  0.00  0.00    +0.059 A 
ATOM     26  C   LIG    1        6.096  -0.122   0.703  0.00  0.00    +0.013 A 
ATOM     27  C   LIG    1        5.818  -0.958   1.783  0.00  0.00    +0.001 A 
ATOM     28  C   LIG    1        4.593  -1.610   1.856  0.00  0.00    +0.000 A 
ATOM     29  C   LIG    1        3.646  -1.424   0.851  0.00  0.00    +0.006 A 
BRANCH  25  30
ATOM     30  C   LIG    1        5.507   0.991  -1.476  0.00  0.00    +0.418 C 
ATOM     31  F   LIG    1        6.747   1.549  -1.376  0.00  0.00    -0.166 F 
ATOM     32  F   LIG    1        5.490   0.348  -2.677  0.00  0.00    -0.166 F 
ATOM     33  F   LIG    1        4.645   2.040  -1.601  0.00  0.00    -0.166 F 
ENDBRANCH  25  30
ENDBRANCH  23  24
ENDBRANCH   4  23
TORSDOF 7