REMARK  Name = BDB052100
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.909   0.596  -1.992  0.00  0.00    +0.059 C 
ATOM      2  C   LIG    1       -2.336   1.054  -3.337  0.00  0.00    +0.252 C 
ATOM      3  O   LIG    1       -3.430   1.486  -3.653  0.00  0.00    -0.270 OA
ATOM      4  N   LIG    1       -1.276   0.930  -4.160  0.00  0.00    -0.248 N 
ATOM      5  H   LIG    1       -1.270   1.214  -5.125  0.00  0.00    +0.158 HD
ATOM      6  C   LIG    1       -0.191   0.514  -3.481  0.00  0.00    +0.252 C 
ATOM      7  O   LIG    1        0.932   0.394  -3.934  0.00  0.00    -0.270 OA
ATOM      8  C   LIG    1       -0.610   0.252  -2.083  0.00  0.00    +0.057 C 
ENDROOT
BRANCH   1  17
ATOM      9  C   LIG    1       -3.567   1.371   2.586  0.00  0.00    +0.149 C 
ATOM     10  N   LIG    1       -3.518   0.940   1.206  0.00  0.00    -0.349 N 
ATOM     11  C   LIG    1       -4.533   0.275   0.549  0.00  0.00    +0.050 A 
ATOM     12  C   LIG    1       -4.093   0.052  -0.763  0.00  0.00    +0.010 A 
ATOM     13  C   LIG    1       -4.953  -0.623  -1.655  0.00  0.00    +0.049 A 
ATOM     14  C   LIG    1       -6.206  -1.039  -1.207  0.00  0.00    +0.124 A 
ATOM     15  C   LIG    1       -6.627  -0.809   0.094  0.00  0.00    +0.040 A 
ATOM     16  F   LIG    1       -7.022  -1.682  -2.053  0.00  0.00    -0.205 F 
ATOM     17  C   LIG    1       -2.775   0.594  -0.862  0.00  0.00    +0.013 A 
ATOM     18  C   LIG    1       -5.797  -0.145   1.000  0.00  0.00    +0.029 A 
ATOM     19  C   LIG    1       -2.454   1.134   0.367  0.00  0.00    +0.095 A 
ENDBRANCH   1  17
BRANCH   8  20
ATOM     20  C   LIG    1        0.279  -0.274  -1.040  0.00  0.00    -0.010 A 
ATOM     21  C   LIG    1        1.566   0.263  -0.861  0.00  0.00    +0.031 A 
ATOM     22  C   LIG    1        2.439  -0.203   0.138  0.00  0.00    +0.028 A 
ATOM     23  C   LIG    1        2.015  -1.282   0.918  0.00  0.00    +0.023 A 
ATOM     24  C   LIG    1        0.744  -1.837   0.751  0.00  0.00    +0.002 A 
ATOM     25  C   LIG    1       -0.120  -1.335  -0.221  0.00  0.00    +0.009 A 
BRANCH  22  26
ATOM     26  N   LIG    1        3.728   0.344   0.198  0.00  0.00    -0.341 N 
ATOM     27  H   LIG    1        3.722   1.311  -0.128  0.00  0.00    +0.146 HD
BRANCH  26  28
ATOM     28  C   LIG    1        4.541   0.156   1.407  0.00  0.00    +0.135 C 
BRANCH  28  29
ATOM     29  C   LIG    1        5.910   0.817   1.184  0.00  0.00    +0.157 C 
BRANCH  29  30
ATOM     30  O   LIG    1        6.536   0.255   0.015  0.00  0.00    -0.388 OA
ATOM     31  H   LIG    1        5.798   0.052  -0.599  0.00  0.00    +0.210 HD
ENDBRANCH  29  30
BRANCH  29  32
ATOM     32  C   LIG    1        6.844   0.598   2.372  0.00  0.00    +0.188 C 
BRANCH  32  33
ATOM     33  O   LIG    1        8.095   1.234   2.114  0.00  0.00    -0.392 OA
ATOM     34  H   LIG    1        8.326   0.976   1.198  0.00  0.00    +0.210 HD
ENDBRANCH  32  33
ENDBRANCH  29  32
ENDBRANCH  28  29
ENDBRANCH  26  28
ENDBRANCH  22  26
ENDBRANCH   8  20
TORSDOF 8