REMARK  Name = BDB034503
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.243   1.010   0.422  0.00  0.00    +0.133 C 
ATOM      2  N   LIG    1        1.075   0.014  -0.635  0.00  0.00    -0.289 N 
ATOM      3  C   LIG    1       -0.178  -0.408  -1.093  0.00  0.00    +0.265 C 
ATOM      4  O   LIG    1       -0.320  -0.905  -2.213  0.00  0.00    -0.268 OA
ENDROOT
BRANCH   3   5
ATOM      5  C   LIG    1       -1.393  -0.290  -0.218  0.00  0.00    +0.128 A 
ATOM      6  N   LIG    1       -1.209  -0.289   1.130  0.00  0.00    -0.248 NA
ATOM      7  C   LIG    1       -2.323  -0.231   1.905  0.00  0.00    +0.141 A 
ATOM      8  C   LIG    1       -3.621  -0.178   1.416  0.00  0.00    +0.108 A 
ATOM      9  N   LIG    1       -4.718  -0.111   2.306  0.00  0.00    -0.227 NA
ATOM     10  C   LIG    1       -5.934  -0.079   1.829  0.00  0.00    +0.143 A 
ATOM     11  C   LIG    1       -6.135  -0.102   0.409  0.00  0.00    +0.106 A 
ATOM     12  N   LIG    1       -5.070  -0.158  -0.453  0.00  0.00    -0.294 N 
ATOM     13  C   LIG    1       -5.574  -0.165  -1.724  0.00  0.00    +0.204 A 
ATOM     14  N   LIG    1       -6.891  -0.120  -1.723  0.00  0.00    -0.243 NA
ATOM     15  C   LIG    1       -7.249  -0.093  -0.397  0.00  0.00    +0.142 A 
ATOM     16  C   LIG    1       -3.755  -0.197   0.022  0.00  0.00    +0.077 A 
ATOM     17  C   LIG    1       -2.647  -0.257  -0.819  0.00  0.00    +0.061 A 
BRANCH  10  18
ATOM     18  N   LIG    1       -6.957  -0.009   2.728  0.00  0.00    -0.341 N 
ATOM     19  H   LIG    1       -6.637   0.252   3.655  0.00  0.00    +0.144 HD
ATOM     20  H   LIG    1       -7.779   0.502   2.431  0.00  0.00    +0.144 HD
ENDBRANCH  10  18
ENDBRANCH   3   5
BRANCH   2  21
ATOM     21  C   LIG    1        2.237  -0.384  -1.439  0.00  0.00    +0.147 C 
ATOM     22  C   LIG    1        3.528  -0.441  -0.702  0.00  0.00    +0.021 A 
ATOM     23  C   LIG    1        3.937  -1.318   0.291  0.00  0.00    +0.010 A 
ATOM     24  C   LIG    1        5.205  -1.137   0.854  0.00  0.00    +0.016 A 
ATOM     25  C   LIG    1        6.047  -0.084   0.428  0.00  0.00    +0.094 A 
ATOM     26  C   LIG    1        5.602   0.782  -0.571  0.00  0.00    +0.177 A 
ATOM     27  F   LIG    1        6.379   1.791  -0.986  0.00  0.00    -0.201 F 
ATOM     28  C   LIG    1        4.353   0.588  -1.128  0.00  0.00    +0.161 A 
ATOM     29  O   LIG    1        3.796   1.378  -2.100  0.00  0.00    -0.487 OA
ATOM     30  C   LIG    1        2.617   0.645  -2.524  0.00  0.00    +0.256 C 
BRANCH  25  31
ATOM     31  C   LIG    1        7.405   0.135   1.022  0.00  0.00    +0.420 C 
ATOM     32  F   LIG    1        7.721  -0.787   1.979  0.00  0.00    -0.166 F 
ATOM     33  F   LIG    1        8.407   0.060   0.104  0.00  0.00    -0.166 F 
ATOM     34  F   LIG    1        7.530   1.345   1.631  0.00  0.00    -0.166 F 
ENDBRANCH  25  31
ENDBRANCH   2  21
TORSDOF 4