REMARK  Name = BDB002745
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.676  -2.115  -2.255  0.00  0.00    +0.168 A 
ATOM      2  N   LIG    1        0.456  -3.156  -3.078  0.00  0.00    -0.073 NA
ATOM      3  O   LIG    1       -0.843  -3.563  -2.860  0.00  0.00    -0.355 OA
ATOM      4  C   LIG    1       -1.412  -2.781  -1.907  0.00  0.00    +0.175 A 
ATOM      5  C   LIG    1       -0.493  -1.848  -1.491  0.00  0.00    +0.084 A 
ENDROOT
BRANCH   1   8
ATOM      6  N   LIG    1        2.024  -0.278  -1.479  0.00  0.00    -0.306 N 
ATOM      7  H   LIG    1        1.176   0.129  -1.113  0.00  0.00    +0.149 HD
ATOM      8  C   LIG    1        1.979  -1.436  -2.231  0.00  0.00    +0.266 C 
ATOM      9  O   LIG    1        2.968  -1.847  -2.834  0.00  0.00    -0.268 OA
BRANCH   6  10
ATOM     10  C   LIG    1        3.226   0.517  -1.436  0.00  0.00    +0.143 C 
BRANCH  10  14
ATOM     11  N   LIG    1        2.732   2.870   1.320  0.00  0.00    -0.268 N 
ATOM     12  C   LIG    1        2.976   1.585   0.906  0.00  0.00    +0.041 A 
ATOM     13  C   LIG    1        3.159   0.446   1.841  0.00  0.00    +0.065 C 
ATOM     14  C   LIG    1        3.006   1.634  -0.481  0.00  0.00    +0.013 A 
ATOM     15  C   LIG    1        2.765   2.999  -0.794  0.00  0.00    +0.065 A 
ATOM     16  C   LIG    1        2.688   3.633  -2.135  0.00  0.00    +0.068 C 
ATOM     17  N   LIG    1        2.591   3.738   0.304  0.00  0.00    -0.176 NA
BRANCH  11  19
ATOM     18  C   LIG    1        3.927   3.886   3.221  0.00  0.00    +0.029 C 
ATOM     19  C   LIG    1        2.608   3.363   2.680  0.00  0.00    +0.140 C 
ENDBRANCH  11  19
ENDBRANCH  10  14
ENDBRANCH   6  10
ENDBRANCH   1   8
BRANCH   4  20
ATOM     20  C   LIG    1       -2.815  -3.102  -1.557  0.00  0.00    +0.306 C 
BRANCH  20  21
ATOM     21  O   LIG    1       -3.191  -2.224  -0.499  0.00  0.00    -0.483 OA
BRANCH  21  22
ATOM     22  C   LIG    1       -4.457  -2.332   0.011  0.00  0.00    +0.140 A 
ATOM     23  C   LIG    1       -4.784  -1.459   1.067  0.00  0.00    +0.085 A 
ATOM     24 CL   LIG    1       -3.633  -0.319   1.676  0.00  0.00    -0.080 Cl
ATOM     25  C   LIG    1       -6.048  -1.488   1.656  0.00  0.00    +0.062 A 
ATOM     26  C   LIG    1       -6.990  -2.392   1.188  0.00  0.00    +0.125 A 
ATOM     27  F   LIG    1       -8.206  -2.428   1.747  0.00  0.00    -0.205 F 
ATOM     28  C   LIG    1       -6.691  -3.263   0.147  0.00  0.00    +0.042 A 
ATOM     29  C   LIG    1       -5.425  -3.235  -0.444  0.00  0.00    +0.050 A 
ENDBRANCH  21  22
ENDBRANCH  20  21
ENDBRANCH   4  20
TORSDOF 7