REMARK  Name = BDB032804
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.482  -0.058  -2.810  0.00  0.00    -0.010 A 
ATOM      2  C   LIG    1       -1.297  -0.455  -1.740  0.00  0.00    +0.020 A 
ATOM      3  C   LIG    1       -2.249   0.441  -1.291  0.00  0.00    +0.042 A 
ATOM      4  C   LIG    1       -3.232   0.284  -0.213  0.00  0.00    +0.248 C 
ATOM      5  N   LIG    1       -3.903   1.489  -0.102  0.00  0.00    -0.282 N 
ATOM      6  C   LIG    1       -3.532   2.418  -1.161  0.00  0.00    +0.144 C 
ATOM      7  O   LIG    1       -3.417  -0.741   0.412  0.00  0.00    -0.270 OA
ATOM      8  C   LIG    1       -2.420   1.704  -1.851  0.00  0.00    -0.018 A 
ATOM      9  C   LIG    1       -1.621   2.116  -2.901  0.00  0.00    +0.006 A 
ATOM     10  C   LIG    1       -0.646   1.229  -3.375  0.00  0.00    +0.007 A 
ENDROOT
BRANCH   5  11
ATOM     11  C   LIG    1       -5.071   1.733   0.738  0.00  0.00    +0.163 C 
ATOM     12  C   LIG    1       -6.267   0.929   0.229  0.00  0.00    +0.240 C 
ATOM     13  O   LIG    1       -6.740   1.099  -0.896  0.00  0.00    -0.273 OA
ATOM     14  N   LIG    1       -6.774  -0.035   1.061  0.00  0.00    -0.255 N 
ATOM     15  H   LIG    1       -7.559  -0.559   0.702  0.00  0.00    +0.158 HD
ATOM     16  C   LIG    1       -6.294  -0.456   2.273  0.00  0.00    +0.219 C 
ATOM     17  O   LIG    1       -6.862  -1.356   2.889  0.00  0.00    -0.275 OA
ATOM     18  C   LIG    1       -5.045   0.206   2.795  0.00  0.00    +0.098 C 
ATOM     19  C   LIG    1       -4.843   1.605   2.242  0.00  0.00    +0.041 C 
ENDBRANCH   5  11
BRANCH   1  20
ATOM     20  C   LIG    1        0.589  -0.984  -3.332  0.00  0.00    +0.269 C 
BRANCH  20  21
ATOM     21  O   LIG    1        1.869  -0.550  -2.856  0.00  0.00    -0.445 OA
BRANCH  21  24
ATOM     22  N   LIG    1        3.529  -0.622  -1.411  0.00  0.00    -0.251 N 
ATOM     23  H   LIG    1        3.819   0.107  -2.047  0.00  0.00    +0.158 HD
ATOM     24  C   LIG    1        2.321  -1.172  -1.735  0.00  0.00    +0.405 C 
ATOM     25  O   LIG    1        1.721  -2.062  -1.154  0.00  0.00    -0.226 OA
BRANCH  22  33
ATOM     26  C   LIG    1        7.747   0.324   0.934  0.00  0.00    +0.047 C 
ATOM     27  C   LIG    1        6.478  -0.462   0.809  0.00  0.00    -0.013 A 
ATOM     28  C   LIG    1        6.158  -1.435   1.758  0.00  0.00    +0.129 A 
ATOM     29  F   LIG    1        7.015  -1.677   2.762  0.00  0.00    -0.205 F 
ATOM     30  C   LIG    1        4.967  -2.160   1.685  0.00  0.00    -0.013 A 
ATOM     31  C   LIG    1        4.667  -3.223   2.698  0.00  0.00    +0.047 C 
ATOM     32  C   LIG    1        4.083  -1.911   0.624  0.00  0.00    +0.029 A 
ATOM     33  C   LIG    1        4.373  -0.933  -0.333  0.00  0.00    +0.037 A 
ATOM     34  C   LIG    1        5.569  -0.208  -0.228  0.00  0.00    +0.029 A 
ENDBRANCH  22  33
ENDBRANCH  21  24
ENDBRANCH  20  21
ENDBRANCH   1  20
TORSDOF 5