REMARK  Name = BDB033083
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.152   0.137   1.832  0.00  0.00    +0.099 C 
ATOM      2  C   LIG    1       -1.145   0.568   1.152  0.00  0.00    +0.130 C 
ATOM      3  N   LIG    1       -2.147  -0.249   1.788  0.00  0.00    -0.295 N 
ATOM      4  C   LIG    1       -1.600  -1.381   2.371  0.00  0.00    +0.218 C 
ATOM      5  O   LIG    1       -2.216  -2.304   2.879  0.00  0.00    -0.276 OA
ATOM      6  C   LIG    1       -0.102  -1.324   2.207  0.00  0.00    +0.119 C 
ENDROOT
BRANCH   1   9
ATOM      7  O   LIG    1        2.784   0.189   2.776  0.00  0.00    -0.270 OA
ATOM      8  C   LIG    1        2.593   0.291   1.567  0.00  0.00    +0.248 C 
ATOM      9  N   LIG    1        1.334   0.314   1.000  0.00  0.00    -0.306 N 
ATOM     10  H   LIG    1        1.251   0.092   0.016  0.00  0.00    +0.149 HD
BRANCH   8  11
ATOM     11  C   LIG    1        3.764   0.338   0.648  0.00  0.00    +0.079 A 
ATOM     12  C   LIG    1        5.007  -0.138   1.088  0.00  0.00    +0.129 A 
ATOM     13  C   LIG    1        6.115  -0.122   0.244  0.00  0.00    +0.047 A 
ATOM     14  C   LIG    1        5.999   0.388  -1.050  0.00  0.00    +0.016 A 
ATOM     15  C   LIG    1        4.772   0.889  -1.510  0.00  0.00    +0.056 A 
ATOM     16  C   LIG    1        3.659   0.871  -0.647  0.00  0.00    +0.029 A 
BRANCH  15  17
ATOM     17  C   LIG    1        4.654   1.482  -2.894  0.00  0.00    +0.417 C 
ATOM     18  F   LIG    1        5.541   0.956  -3.783  0.00  0.00    -0.166 F 
ATOM     19  F   LIG    1        3.421   1.289  -3.440  0.00  0.00    -0.166 F 
ATOM     20  F   LIG    1        4.860   2.826  -2.900  0.00  0.00    -0.166 F 
ENDBRANCH  15  17
BRANCH  12  21
ATOM     21  O   LIG    1        5.217  -0.636   2.347  0.00  0.00    -0.506 OA
ATOM     22  H   LIG    1        4.415  -0.452   2.886  0.00  0.00    +0.292 HD
ENDBRANCH  12  21
ENDBRANCH   8  11
ENDBRANCH   1   9
BRANCH   3  23
ATOM     23  C   LIG    1       -3.570  -0.066   1.565  0.00  0.00    +0.143 C 
BRANCH  23  24
ATOM     24  C   LIG    1       -4.003  -0.527   0.186  0.00  0.00    -0.018 A 
ATOM     25  C   LIG    1       -4.343   0.368  -0.855  0.00  0.00    +0.059 A 
ATOM     26  C   LIG    1       -4.720  -0.152  -2.109  0.00  0.00    +0.013 A 
ATOM     27  C   LIG    1       -4.763  -1.528  -2.335  0.00  0.00    +0.001 A 
ATOM     28  C   LIG    1       -4.433  -2.407  -1.312  0.00  0.00    +0.000 A 
ATOM     29  C   LIG    1       -4.057  -1.913  -0.064  0.00  0.00    +0.006 A 
BRANCH  25  30
ATOM     30  C   LIG    1       -4.320   1.868  -0.663  0.00  0.00    +0.418 C 
ATOM     31  F   LIG    1       -3.086   2.329  -0.315  0.00  0.00    -0.166 F 
ATOM     32  F   LIG    1       -4.670   2.571  -1.777  0.00  0.00    -0.166 F 
ATOM     33  F   LIG    1       -5.167   2.285   0.318  0.00  0.00    -0.166 F 
ENDBRANCH  25  30
ENDBRANCH  23  24
ENDBRANCH   3  23
TORSDOF 7