REMARK  Name = BDB033068
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.866  -0.005  -1.206  0.00  0.00    +0.099 C 
ATOM      2  C   LIG    1       -0.532  -0.534  -0.898  0.00  0.00    +0.130 C 
ATOM      3  N   LIG    1       -1.403   0.425  -1.527  0.00  0.00    -0.295 N 
ATOM      4  C   LIG    1       -0.770   1.640  -1.736  0.00  0.00    +0.218 C 
ATOM      5  O   LIG    1       -1.288   2.667  -2.146  0.00  0.00    -0.276 OA
ATOM      6  C   LIG    1        0.667   1.509  -1.300  0.00  0.00    +0.119 C 
ENDROOT
BRANCH   1   8
ATOM      7  C   LIG    1        3.212  -0.285  -0.502  0.00  0.00    +0.262 C 
ATOM      8  N   LIG    1        1.864  -0.387  -0.222  0.00  0.00    -0.305 N 
ATOM      9  H   LIG    1        1.588  -0.443   0.749  0.00  0.00    +0.149 HD
ATOM     10  O   LIG    1        3.610   0.039  -1.616  0.00  0.00    -0.269 OA
BRANCH   7  13
ATOM     11  C   LIG    1        6.257   0.131  -0.506  0.00  0.00    +0.173 C 
ATOM     12  N   LIG    1        5.457  -0.374   0.588  0.00  0.00    -0.262 N 
ATOM     13  C   LIG    1        4.092  -0.565   0.611  0.00  0.00    +0.123 A 
ATOM     14  C   LIG    1        3.834  -1.071   1.876  0.00  0.00    +0.054 A 
ATOM     15  C   LIG    1        5.079  -1.130   2.523  0.00  0.00    +0.135 A 
ATOM     16  N   LIG    1        6.069  -0.700   1.745  0.00  0.00    -0.179 NA
ENDBRANCH   7  13
ENDBRANCH   1   8
BRANCH   3  17
ATOM     17  C   LIG    1       -2.839   0.237  -1.631  0.00  0.00    +0.143 C 
BRANCH  17  18
ATOM     18  C   LIG    1       -3.542   0.407  -0.297  0.00  0.00    -0.018 A 
ATOM     19  C   LIG    1       -4.067  -0.680   0.440  0.00  0.00    +0.059 A 
ATOM     20  C   LIG    1       -4.693  -0.428   1.678  0.00  0.00    +0.013 A 
ATOM     21  C   LIG    1       -4.801   0.869   2.180  0.00  0.00    +0.001 A 
ATOM     22  C   LIG    1       -4.288   1.936   1.454  0.00  0.00    +0.000 A 
ATOM     23  C   LIG    1       -3.665   1.708   0.227  0.00  0.00    +0.006 A 
BRANCH  19  24
ATOM     24  C   LIG    1       -3.985  -2.105  -0.060  0.00  0.00    +0.418 C 
ATOM     25  F   LIG    1       -4.536  -3.018   0.787  0.00  0.00    -0.166 F 
ATOM     26  F   LIG    1       -2.700  -2.515  -0.251  0.00  0.00    -0.166 F 
ATOM     27  F   LIG    1       -4.617  -2.280  -1.253  0.00  0.00    -0.166 F 
ENDBRANCH  19  24
ENDBRANCH  17  18
ENDBRANCH   3  17
TORSDOF 5