REMARK  Name = BDB033065
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.532  -2.244  -0.048  0.00  0.00    +0.099 C 
ATOM      2  C   LIG    1       -1.671  -1.278  -0.371  0.00  0.00    +0.130 C 
ATOM      3  N   LIG    1       -2.781  -1.800   0.390  0.00  0.00    -0.295 N 
ATOM      4  C   LIG    1       -2.360  -2.614   1.428  0.00  0.00    +0.218 C 
ATOM      5  O   LIG    1       -3.062  -3.109   2.295  0.00  0.00    -0.276 OA
ATOM      6  C   LIG    1       -0.859  -2.735   1.359  0.00  0.00    +0.119 C 
ENDROOT
BRANCH   1   9
ATOM      7  O   LIG    1        0.795  -1.607  -2.427  0.00  0.00    -0.270 OA
ATOM      8  C   LIG    1        1.339  -1.323  -1.364  0.00  0.00    +0.248 C 
ATOM      9  N   LIG    1        0.786  -1.652  -0.147  0.00  0.00    -0.306 N 
ATOM     10  H   LIG    1        1.229  -1.251   0.677  0.00  0.00    +0.149 HD
BRANCH   8  11
ATOM     11  C   LIG    1        2.649  -0.600  -1.347  0.00  0.00    +0.079 A 
ATOM     12  C   LIG    1        3.204   0.020  -0.213  0.00  0.00    +0.137 A 
ATOM     13  C   LIG    1        4.474   0.660  -0.262  0.00  0.00    +0.024 A 
ATOM     14  C   LIG    1        5.150   0.712  -1.506  0.00  0.00    -0.014 A 
ATOM     15  C   LIG    1        6.398   1.349  -1.604  0.00  0.00    +0.008 A 
ATOM     16  C   LIG    1        6.999   1.925  -0.487  0.00  0.00    +0.001 A 
ATOM     17  C   LIG    1        6.364   1.863   0.745  0.00  0.00    +0.001 A 
ATOM     18  C   LIG    1        4.574   0.122  -2.639  0.00  0.00    +0.009 A 
ATOM     19  C   LIG    1        5.121   1.236   0.859  0.00  0.00    +0.012 A 
ATOM     20  C   LIG    1        3.345  -0.532  -2.559  0.00  0.00    +0.017 A 
BRANCH  12  21
ATOM     21  O   LIG    1        2.480   0.026   0.961  0.00  0.00    -0.505 OA
ATOM     22  H   LIG    1        2.697   0.848   1.435  0.00  0.00    +0.292 HD
ENDBRANCH  12  21
ENDBRANCH   8  11
ENDBRANCH   1   9
BRANCH   3  23
ATOM     23  C   LIG    1       -4.131  -1.286   0.260  0.00  0.00    +0.143 C 
BRANCH  23  24
ATOM     24  C   LIG    1       -4.296   0.080   0.900  0.00  0.00    -0.018 A 
ATOM     25  C   LIG    1       -4.441   1.269   0.148  0.00  0.00    +0.059 A 
ATOM     26  C   LIG    1       -4.574   2.496   0.828  0.00  0.00    +0.013 A 
ATOM     27  C   LIG    1       -4.567   2.553   2.222  0.00  0.00    +0.001 A 
ATOM     28  C   LIG    1       -4.429   1.384   2.960  0.00  0.00    +0.000 A 
ATOM     29  C   LIG    1       -4.295   0.160   2.307  0.00  0.00    +0.006 A 
BRANCH  25  30
ATOM     30  C   LIG    1       -4.471   1.263  -1.364  0.00  0.00    +0.418 C 
ATOM     31  F   LIG    1       -4.608   2.503  -1.914  0.00  0.00    -0.166 F 
ATOM     32  F   LIG    1       -5.501   0.526  -1.863  0.00  0.00    -0.166 F 
ATOM     33  F   LIG    1       -3.337   0.746  -1.909  0.00  0.00    -0.166 F 
ENDBRANCH  25  30
ENDBRANCH  23  24
ENDBRANCH   3  23
TORSDOF 6