REMARK  Name = BDB040744
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -1.680  -1.970  -0.952  0.00  0.00    -0.269 N 
ATOM      2  C   LIG    1       -1.261  -2.093  -2.288  0.00  0.00    +0.222 C 
ATOM      3  O   LIG    1       -1.794  -1.667  -3.300  0.00  0.00    -0.275 OA
ATOM      4  C   LIG    1       -0.003  -2.929  -2.314  0.00  0.00    +0.120 C 
ATOM      5  C   LIG    1        0.498  -2.843  -0.879  0.00  0.00    +0.103 C 
ATOM      6  C   LIG    1       -0.790  -2.705  -0.077  0.00  0.00    +0.136 C 
ENDROOT
BRANCH   1  11
ATOM      7  C   LIG    1       -5.287  -0.137   0.449  0.00  0.00    +0.035 A 
ATOM      8  C   LIG    1       -4.452  -0.862   1.296  0.00  0.00    +0.132 A 
ATOM      9  F   LIG    1       -4.770  -0.989   2.593  0.00  0.00    -0.205 F 
ATOM     10  C   LIG    1       -3.275  -1.465   0.844  0.00  0.00    +0.062 A 
ATOM     11  C   LIG    1       -2.880  -1.357  -0.495  0.00  0.00    +0.042 A 
ATOM     12  C   LIG    1       -3.707  -0.619  -1.349  0.00  0.00    +0.062 A 
ATOM     13  C   LIG    1       -4.882  -0.024  -0.879  0.00  0.00    +0.132 A 
ATOM     14  F   LIG    1       -5.616   0.691  -1.743  0.00  0.00    -0.205 F 
BRANCH   7  21
ATOM     15  O   LIG    1       -7.990   3.738  -1.183  0.00  0.00    -0.275 OA
ATOM     16  C   LIG    1       -7.565   2.807  -0.504  0.00  0.00    +0.219 C 
ATOM     17  N   LIG    1       -8.169   1.576  -0.533  0.00  0.00    -0.256 N 
ATOM     18  H   LIG    1       -8.944   1.487  -1.176  0.00  0.00    +0.157 HD
ATOM     19  C   LIG    1       -7.736   0.407   0.041  0.00  0.00    +0.227 C 
ATOM     20  O   LIG    1       -8.277  -0.663  -0.235  0.00  0.00    -0.275 OA
ATOM     21  C   LIG    1       -6.549   0.496   0.992  0.00  0.00    +0.111 C 
ATOM     22  C   LIG    1       -6.340   1.930   1.491  0.00  0.00    +0.027 C 
ATOM     23  C   LIG    1       -6.327   2.933   0.350  0.00  0.00    +0.097 C 
ENDBRANCH   7  21
ENDBRANCH   1  11
BRANCH   5  24
ATOM     24  N   LIG    1        1.378  -1.696  -0.689  0.00  0.00    -0.276 N 
ATOM     25  H   LIG    1        0.999  -0.759  -0.624  0.00  0.00    +0.152 HD
ATOM     26  C   LIG    1        2.707  -1.750  -0.983  0.00  0.00    +0.401 C 
ATOM     27  O   LIG    1        3.317  -2.764  -1.283  0.00  0.00    -0.226 OA
BRANCH  26  28
ATOM     28  O   LIG    1        3.226  -0.504  -0.897  0.00  0.00    -0.450 OA
BRANCH  28  29
ATOM     29  C   LIG    1        4.627  -0.387  -1.199  0.00  0.00    +0.237 C 
BRANCH  29  30
ATOM     30  C   LIG    1        5.441  -0.625   0.068  0.00  0.00    +0.028 C 
ATOM     31  C   LIG    1        5.315   0.456   1.183  0.00  0.00    +0.013 C 
ATOM     32  C   LIG    1        6.654   0.989   0.728  0.00  0.00    -0.029 C 
ATOM     33  C   LIG    1        7.631   1.491   1.762  0.00  0.00    +0.007 C 
ATOM     34  C   LIG    1        7.207   2.922   1.341  0.00  0.00    +0.001 C 
ATOM     35  C   LIG    1        6.686   2.322   0.011  0.00  0.00    +0.007 C 
ATOM     36  C   LIG    1        6.954  -0.269  -0.043  0.00  0.00    +0.013 C 
ENDBRANCH  29  30
ENDBRANCH  28  29
ENDBRANCH  26  28
ENDBRANCH   5  24
TORSDOF 6