REMARK  Name = BDB018947
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.349  -1.275  -0.714  0.00  0.00    -0.300 N 
ATOM      2  C   LIG    1        0.945  -0.763  -0.462  0.00  0.00    +0.038 A 
ATOM      3  C   LIG    1        2.100  -1.528  -0.700  0.00  0.00    -0.025 A 
ATOM      4  C   LIG    1        3.373  -0.985  -0.454  0.00  0.00    +0.014 A 
ATOM      5  C   LIG    1        3.526   0.307   0.069  0.00  0.00    -0.006 A 
ATOM      6  C   LIG    1        2.384   1.067   0.366  0.00  0.00    +0.027 A 
ATOM      7  C   LIG    1        2.003  -2.921  -1.262  0.00  0.00    +0.038 C 
ATOM      8  C   LIG    1        0.632  -3.520  -0.997  0.00  0.00    +0.024 C 
ATOM      9  C   LIG    1        1.115   0.518   0.094  0.00  0.00    +0.033 A 
ATOM     10  C   LIG    1       -0.440  -2.544  -1.458  0.00  0.00    +0.111 C 
ENDROOT
BRANCH   1  16
ATOM     11  C   LIG    1       -5.004  -0.013   0.756  0.00  0.00    +0.062 A 
ATOM     12  C   LIG    1       -3.791  -0.021  -0.016  0.00  0.00    +0.014 A 
ATOM     13  C   LIG    1       -3.936   0.916  -1.041  0.00  0.00    +0.050 A 
ATOM     14  C   LIG    1       -2.915   1.175  -1.970  0.00  0.00    +0.031 A 
ATOM     15  C   LIG    1       -1.710   0.451  -1.889  0.00  0.00    -0.027 A 
ATOM     16  C   LIG    1       -1.534  -0.504  -0.870  0.00  0.00    +0.038 A 
ATOM     17  C   LIG    1       -0.637   0.769  -2.897  0.00  0.00    +0.046 C 
ATOM     18  N   LIG    1       -5.200   1.451  -0.922  0.00  0.00    -0.349 N 
ATOM     19  C   LIG    1       -5.764   2.455  -1.797  0.00  0.00    +0.149 C 
ATOM     20  C   LIG    1       -2.580  -0.745   0.046  0.00  0.00    +0.034 A 
ATOM     21  C   LIG    1       -5.854   0.886   0.135  0.00  0.00    +0.099 A 
BRANCH  11  25
ATOM     22  C   LIG    1       -4.547  -1.707   4.055  0.00  0.00    +0.128 C 
ATOM     23  N   LIG    1       -4.317  -1.108   2.767  0.00  0.00    -0.314 N 
ATOM     24  H   LIG    1       -3.447  -0.615   2.617  0.00  0.00    +0.149 HD
ATOM     25  C   LIG    1       -5.374  -0.769   1.950  0.00  0.00    +0.246 C 
ATOM     26  O   LIG    1       -6.541  -1.028   2.228  0.00  0.00    -0.270 OA
ENDBRANCH  11  25
ENDBRANCH   1  16
BRANCH   5  27
ATOM     27  C   LIG    1        4.865   0.810   0.293  0.00  0.00    +0.020 A 
ATOM     28  C   LIG    1        5.787   0.218   1.131  0.00  0.00    +0.116 A 
ATOM     29  N   LIG    1        6.909   0.993   1.065  0.00  0.00    -0.274 N 
ATOM     30  C   LIG    1        8.152   0.785   1.767  0.00  0.00    +0.172 C 
ATOM     31  N   LIG    1        6.782   2.051   0.245  0.00  0.00    -0.179 NA
ATOM     32  C   LIG    1        5.540   1.933  -0.234  0.00  0.00    +0.142 A 
ENDBRANCH   5  27
BRANCH   6  33
ATOM     33  C   LIG    1        2.472   2.453   0.952  0.00  0.00    +0.372 C 
ATOM     34  F   LIG    1        2.831   3.384   0.024  0.00  0.00    -0.204 F 
ATOM     35  F   LIG    1        1.290   2.897   1.471  0.00  0.00    -0.204 F 
ENDBRANCH   6  33
TORSDOF 4