REMARK  Name = BDB018588
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.627   5.626   1.391  0.00  0.00    +0.152 C 
ATOM      2  N   LIG    1       -1.313   4.423   0.943  0.00  0.00    -0.318 N 
ATOM      3  C   LIG    1       -2.590   4.526   0.414  0.00  0.00    +0.252 A 
ATOM      4  O   LIG    1       -3.221   5.570   0.279  0.00  0.00    -0.268 OA
ATOM      5  C   LIG    1       -3.208   3.250  -0.019  0.00  0.00    +0.079 A 
ATOM      6  C   LIG    1       -2.577   2.066   0.108  0.00  0.00    -0.003 A 
ATOM      7  C   LIG    1       -1.218   2.037   0.693  0.00  0.00    +0.009 A 
ATOM      8  C   LIG    1       -0.665   3.209   1.071  0.00  0.00    +0.098 A 
ENDROOT
BRANCH   6   9
ATOM      9  C   LIG    1       -3.280   0.876  -0.403  0.00  0.00    -0.011 A 
ATOM     10  C   LIG    1       -4.369   0.420   0.245  0.00  0.00    +0.078 A 
ATOM     11  C   LIG    1       -5.106  -0.785  -0.223  0.00  0.00    +0.252 A 
ATOM     12  O   LIG    1       -6.102  -1.147   0.396  0.00  0.00    -0.268 OA
ATOM     13  N   LIG    1       -4.598  -1.408  -1.360  0.00  0.00    -0.313 N 
ATOM     14  C   LIG    1       -3.478  -0.932  -2.017  0.00  0.00    +0.090 A 
ATOM     15  C   LIG    1       -2.835   0.159  -1.587  0.00  0.00    +0.026 A 
BRANCH  13  16
ATOM     16  C   LIG    1       -5.237  -2.640  -1.829  0.00  0.00    +0.158 C 
BRANCH  16  17
ATOM     17  C   LIG    1       -4.547  -3.897  -1.309  0.00  0.00    +0.235 C 
ATOM     18  F   LIG    1       -4.678  -3.982   0.040  0.00  0.00    -0.247 F 
ENDBRANCH  16  17
ENDBRANCH  13  16
ENDBRANCH   6   9
BRANCH   7  19
ATOM     19  C   LIG    1       -0.488   0.812   0.864  0.00  0.00    +0.022 A 
ATOM     20  C   LIG    1        0.826   0.599   0.506  0.00  0.00    +0.123 A 
ATOM     21  N   LIG    1        1.156  -0.687   0.879  0.00  0.00    -0.238 N 
ATOM     22  N   LIG    1        0.063  -1.337   1.363  0.00  0.00    -0.174 NA
ATOM     23  C   LIG    1       -0.903  -0.417   1.397  0.00  0.00    +0.143 A 
BRANCH  21  24
ATOM     24  C   LIG    1        2.405  -1.379   0.777  0.00  0.00    +0.083 A 
ATOM     25  C   LIG    1        3.658  -0.740   0.634  0.00  0.00    +0.081 A 
ATOM     26  C   LIG    1        4.847  -1.507   0.476  0.00  0.00    -0.025 A 
ATOM     27  C   LIG    1        4.742  -2.910   0.524  0.00  0.00    +0.005 A 
ATOM     28  C   LIG    1        3.518  -3.544   0.708  0.00  0.00    +0.002 A 
ATOM     29  C   LIG    1        2.359  -2.785   0.835  0.00  0.00    +0.029 A 
BRANCH  26  30
ATOM     30  C   LIG    1        6.219  -0.870   0.314  0.00  0.00    +0.020 C 
ATOM     31  C   LIG    1        6.522  -0.034  -0.910  0.00  0.00    +0.009 C 
ATOM     32  C   LIG    1        7.180  -1.368  -0.743  0.00  0.00    +0.009 C 
ENDBRANCH  26  30
BRANCH  25  33
ATOM     33  C   LIG    1        3.816   0.684   0.748  0.00  0.00    +0.102 C 
ATOM     34  N   LIG    1        3.941   1.835   0.844  0.00  0.00    -0.191 NA
ENDBRANCH  25  33
ENDBRANCH  21  24
ENDBRANCH   7  19
TORSDOF 7