REMARK  Name = BDB046083
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        5.492  -0.728   0.925  0.00  0.00    -0.270 OA
ATOM      2  C   LIG    1        4.314  -0.763   0.567  0.00  0.00    +0.245 C 
ATOM      3  C   LIG    1        3.674   0.461   0.023  0.00  0.00    +0.046 A 
ATOM      4  C   LIG    1        2.275   0.635  -0.092  0.00  0.00    +0.016 A 
ATOM      5  C   LIG    1        1.792   1.858  -0.565  0.00  0.00    +0.048 A 
ATOM      6  C   LIG    1        2.626   2.916  -0.945  0.00  0.00    +0.026 A 
ATOM      7  C   LIG    1        4.002   2.729  -0.830  0.00  0.00    +0.003 A 
ATOM      8  N   LIG    1        0.421   1.787  -0.560  0.00  0.00    -0.354 N 
ATOM      9  H   LIG    1       -0.190   2.535  -0.857  0.00  0.00    +0.166 HD
ATOM     10  C   LIG    1       -0.006   0.559  -0.117  0.00  0.00    +0.051 A 
ATOM     11  C   LIG    1        1.129  -0.184   0.175  0.00  0.00    -0.012 A 
ATOM     12  C   LIG    1        1.189  -1.588   0.682  0.00  0.00    +0.056 C 
ATOM     13  C   LIG    1        2.379  -2.347   0.105  0.00  0.00    +0.109 C 
ATOM     14  C   LIG    1        4.518   1.528  -0.350  0.00  0.00    +0.014 A 
ATOM     15  N   LIG    1        3.645  -1.953   0.691  0.00  0.00    -0.311 N 
ATOM     16  H   LIG    1        4.256  -2.690   1.024  0.00  0.00    +0.149 HD
ENDROOT
BRANCH  10  17
ATOM     17  C   LIG    1       -1.422   0.228  -0.033  0.00  0.00    -0.000 A 
ATOM     18  C   LIG    1       -1.971  -0.743  -0.877  0.00  0.00    +0.022 A 
ATOM     19  C   LIG    1       -3.334  -1.070  -0.808  0.00  0.00    +0.056 A 
ATOM     20  C   LIG    1       -4.149  -0.395   0.115  0.00  0.00    +0.024 A 
ATOM     21  C   LIG    1       -3.614   0.578   0.976  0.00  0.00    +0.056 A 
ATOM     22  C   LIG    1       -2.246   0.885   0.887  0.00  0.00    +0.022 A 
BRANCH  19  23
ATOM     23  C   LIG    1       -3.913  -2.105  -1.744  0.00  0.00    +0.417 C 
ATOM     24  F   LIG    1       -5.045  -2.688  -1.260  0.00  0.00    -0.166 F 
ATOM     25  F   LIG    1       -4.248  -1.576  -2.951  0.00  0.00    -0.166 F 
ATOM     26  F   LIG    1       -3.050  -3.125  -2.005  0.00  0.00    -0.166 F 
ENDBRANCH  19  23
BRANCH  21  27
ATOM     27  C   LIG    1       -4.492   1.313   1.960  0.00  0.00    +0.417 C 
ATOM     28  F   LIG    1       -3.877   1.540   3.153  0.00  0.00    -0.166 F 
ATOM     29  F   LIG    1       -5.643   0.649   2.254  0.00  0.00    -0.166 F 
ATOM     30  F   LIG    1       -4.871   2.535   1.494  0.00  0.00    -0.166 F 
ENDBRANCH  21  27
ENDBRANCH  10  17
TORSDOF 3