REMARK  Name = BDB054526
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.217  -0.893   0.410  0.00  0.00    +0.102 C 
ATOM      2  C   LIG    1       -0.998  -1.617  -0.237  0.00  0.00    +0.091 C 
ATOM      3  C   LIG    1       -1.120  -3.142  -0.057  0.00  0.00    +0.094 C 
ATOM      4  N   LIG    1       -2.375  -3.659  -0.627  0.00  0.00    -0.315 NA
ATOM      5  H   LIG    1       -2.406  -4.668  -0.473  0.00  0.00    +0.122 HD
ATOM      6  C   LIG    1       -3.528  -3.046   0.035  0.00  0.00    +0.084 C 
ATOM      7  C   LIG    1       -3.518  -1.527  -0.146  0.00  0.00    +0.055 C 
ENDROOT
BRANCH   1   8
ATOM      8  C   LIG    1       -2.164   0.628   0.182  0.00  0.00    -0.013 A 
ATOM      9  C   LIG    1       -1.625   1.478   1.171  0.00  0.00    +0.047 A 
ATOM     10  C   LIG    1       -1.554   2.855   0.970  0.00  0.00    +0.159 A 
ATOM     11  F   LIG    1       -1.051   3.635   1.936  0.00  0.00    -0.202 F 
ATOM     12  C   LIG    1       -1.996   3.413  -0.219  0.00  0.00    +0.158 A 
ATOM     13  F   LIG    1       -1.928   4.736  -0.415  0.00  0.00    -0.202 F 
ATOM     14  C   LIG    1       -2.506   2.600  -1.223  0.00  0.00    +0.041 A 
ATOM     15  C   LIG    1       -2.584   1.216  -1.027  0.00  0.00    +0.009 A 
ENDBRANCH   1   8
BRANCH   2  16
ATOM     16  C   LIG    1        0.344  -1.110   0.219  0.00  0.00    +0.092 A 
ATOM     17  N   LIG    1        0.851  -1.427   1.417  0.00  0.00    -0.082 NA
ATOM     18  O   LIG    1        2.072  -0.783   1.496  0.00  0.00    -0.354 OA
ATOM     19  C   LIG    1        2.304  -0.100   0.342  0.00  0.00    +0.170 A 
ATOM     20  C   LIG    1        1.236  -0.278  -0.503  0.00  0.00    +0.076 A 
BRANCH  19  21
ATOM     21  C   LIG    1        3.553   0.645   0.282  0.00  0.00    +0.056 A 
ATOM     22  C   LIG    1        4.797  -0.006   0.387  0.00  0.00    +0.053 A 
ATOM     23 CL   LIG    1        4.935  -1.728   0.533  0.00  0.00    -0.083 Cl
ATOM     24  C   LIG    1        5.997   0.717   0.339  0.00  0.00    +0.021 A 
ATOM     25  C   LIG    1        5.979   2.099   0.182  0.00  0.00    +0.003 A 
ATOM     26  C   LIG    1        4.760   2.761   0.066  0.00  0.00    +0.021 A 
ATOM     27  C   LIG    1        3.558   2.044   0.114  0.00  0.00    +0.053 A 
ATOM     28 CL   LIG    1        2.098   2.967  -0.031  0.00  0.00    -0.083 Cl
ENDBRANCH  19  21
ENDBRANCH   2  16
BRANCH   1  29
ATOM     29  O   LIG    1       -2.266  -1.149   1.827  0.00  0.00    -0.383 OA
ATOM     30  H   LIG    1       -2.930  -0.554   2.215  0.00  0.00    +0.211 HD
ENDBRANCH   1  29
TORSDOF 4