REMARK  Name = BDB004562
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.300   2.037  -1.069  0.00  0.00    -0.029 A 
ATOM      2  C   LIG    1       -0.896   1.465  -0.600  0.00  0.00    +0.028 A 
ATOM      3  C   LIG    1       -2.032   1.414  -1.411  0.00  0.00    +0.035 A 
ATOM      4  C   LIG    1       -1.967   1.944  -2.704  0.00  0.00    +0.023 A 
ATOM      5  C   LIG    1       -0.781   2.502  -3.186  0.00  0.00    +0.002 A 
ATOM      6  C   LIG    1        0.350   2.542  -2.374  0.00  0.00    +0.005 A 
ENDROOT
BRANCH   3   7
ATOM      7  N   LIG    1       -3.257   0.855  -1.005  0.00  0.00    -0.269 N 
ATOM      8  H   LIG    1       -4.024   0.882  -1.661  0.00  0.00    +0.156 HD
ATOM      9  C   LIG    1       -3.556   0.225   0.169  0.00  0.00    +0.308 C 
ATOM     10  N   LIG    1       -4.817  -0.182   0.235  0.00  0.00    -0.269 N 
ATOM     11  H   LIG    1       -4.552  -0.538   1.161  0.00  0.00    +0.156 HD
ATOM     12  O   LIG    1       -2.812   0.004   1.117  0.00  0.00    -0.252 OA
BRANCH  10  13
ATOM     13  C   LIG    1       -6.121  -0.603   0.306  0.00  0.00    +0.035 A 
ATOM     14  C   LIG    1       -6.631  -1.299   1.411  0.00  0.00    +0.026 A 
ATOM     15  C   LIG    1       -7.969  -1.702   1.423  0.00  0.00    +0.040 A 
ATOM     16  C   LIG    1       -8.787  -1.408   0.338  0.00  0.00    +0.124 A 
ATOM     17  F   LIG    1      -10.069  -1.794   0.353  0.00  0.00    -0.205 F 
ATOM     18  C   LIG    1       -8.293  -0.718  -0.762  0.00  0.00    +0.040 A 
ATOM     19  C   LIG    1       -6.956  -0.316  -0.777  0.00  0.00    +0.026 A 
ENDBRANCH  10  13
ENDBRANCH   3   7
BRANCH   1  20
ATOM     20  C   LIG    1        1.531   2.060  -0.190  0.00  0.00    +0.138 C 
BRANCH  20  21
ATOM     21  N   LIG    1        2.313   0.859  -0.461  0.00  0.00    -0.324 N 
ATOM     22  H   LIG    1        1.734   0.031  -0.354  0.00  0.00    +0.148 HD
BRANCH  21  26
ATOM     23  C   LIG    1        6.216  -1.684   0.875  0.00  0.00    +0.063 A 
ATOM     24  C   LIG    1        5.410  -0.533   1.003  0.00  0.00    +0.088 A 
ATOM     25  C   LIG    1        4.278  -0.435   0.171  0.00  0.00    +0.041 A 
ATOM     26  C   LIG    1        3.473   0.713   0.330  0.00  0.00    +0.130 A 
ATOM     27  N   LIG    1        3.784   1.691   1.193  0.00  0.00    -0.220 NA
ATOM     28  C   LIG    1        4.879   1.512   1.928  0.00  0.00    +0.223 A 
ATOM     29  C   LIG    1        3.997  -1.455  -0.773  0.00  0.00    +0.013 A 
ATOM     30  C   LIG    1        4.804  -2.578  -0.885  0.00  0.00    +0.002 A 
ATOM     31  N   LIG    1        5.696   0.453   1.884  0.00  0.00    -0.235 NA
ATOM     32  C   LIG    1        5.909  -2.694  -0.058  0.00  0.00    +0.015 A 
BRANCH  23  36
ATOM     33  N   LIG    1        7.804  -0.981   2.617  0.00  0.00    -0.325 N 
ATOM     34  H   LIG    1        8.626  -1.135   3.182  0.00  0.00    +0.145 HD
ATOM     35  H   LIG    1        7.258  -0.132   2.734  0.00  0.00    +0.145 HD
ATOM     36  C   LIG    1        7.439  -1.925   1.704  0.00  0.00    +0.244 C 
ATOM     37  O   LIG    1        8.110  -2.945   1.580  0.00  0.00    -0.270 OA
ENDBRANCH  23  36
ENDBRANCH  21  26
ENDBRANCH  20  21
ENDBRANCH   1  20
TORSDOF 6