REMARK  Name = BDB060325
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.237  -0.189   0.844  0.00  0.00    +0.080 C 
ATOM      2  C   LIG    1       -0.367  -1.014   1.997  0.00  0.00    +0.028 C 
ATOM      3  C   LIG    1       -1.861  -0.702   2.002  0.00  0.00    +0.039 C 
ATOM      4  C   LIG    1       -2.124  -0.334   0.570  0.00  0.00    -0.026 C 
ATOM      5  C   LIG    1       -0.965  -0.062  -0.054  0.00  0.00    -0.003 C 
ENDROOT
BRANCH   4   6
ATOM      6  C   LIG    1       -3.462  -0.276   0.009  0.00  0.00    +0.046 A 
ATOM      7  N   LIG    1       -3.583  -0.317  -1.358  0.00  0.00    -0.322 N 
ATOM      8  H   LIG    1       -2.757  -0.415  -1.933  0.00  0.00    +0.169 HD
ATOM      9  C   LIG    1       -4.764  -0.249  -2.053  0.00  0.00    +0.257 A 
ATOM     10  O   LIG    1       -4.795  -0.282  -3.278  0.00  0.00    -0.267 OA
ATOM     11  C   LIG    1       -6.002  -0.139  -1.247  0.00  0.00    +0.051 A 
ATOM     12  C   LIG    1       -5.911  -0.150   0.159  0.00  0.00    +0.010 A 
ATOM     13  C   LIG    1       -7.098  -0.101   0.923  0.00  0.00    +0.035 A 
ATOM     14  C   LIG    1       -8.320   0.083   0.258  0.00  0.00    +0.061 A 
ATOM     15  C   LIG    1       -8.378   0.100  -1.133  0.00  0.00    +0.126 A 
ATOM     16  F   LIG    1       -9.564   0.244  -1.738  0.00  0.00    -0.205 F 
ATOM     17  C   LIG    1       -7.232  -0.024  -1.897  0.00  0.00    +0.052 A 
ATOM     18  C   LIG    1       -4.569  -0.201   0.768  0.00  0.00    +0.036 A 
BRANCH  13  19
ATOM     19  N   LIG    1       -7.092  -0.025   2.329  0.00  0.00    -0.357 N 
ATOM     20  H   LIG    1       -7.988  -0.246   2.756  0.00  0.00    +0.142 HD
ATOM     21  H   LIG    1       -6.341  -0.547   2.768  0.00  0.00    +0.142 HD
ENDBRANCH  13  19
ENDBRANCH   4   6
BRANCH   1  25
ATOM     22  N   LIG    1        4.202   0.159  -0.223  0.00  0.00    -0.327 N 
ATOM     23  C   LIG    1        3.356  -0.312  -1.331  0.00  0.00    +0.120 C 
ATOM     24  C   LIG    1        1.860  -0.116  -0.985  0.00  0.00    +0.104 C 
ATOM     25  N   LIG    1        1.392  -0.847   0.220  0.00  0.00    -0.293 NA
ATOM     26  C   LIG    1        2.520  -1.058   1.158  0.00  0.00    +0.104 C 
ATOM     27  C   LIG    1        3.636   0.015   1.129  0.00  0.00    +0.120 C 
BRANCH  22  31
ATOM     28  C   LIG    1        8.226   1.339  -0.798  0.00  0.00    +0.052 A 
ATOM     29  C   LIG    1        7.549   1.680   0.371  0.00  0.00    +0.020 A 
ATOM     30  C   LIG    1        6.217   1.284   0.553  0.00  0.00    +0.024 A 
ATOM     31  C   LIG    1        5.519   0.539  -0.413  0.00  0.00    +0.030 A 
ATOM     32  C   LIG    1        6.228   0.216  -1.582  0.00  0.00    +0.024 A 
ATOM     33  C   LIG    1        7.561   0.605  -1.777  0.00  0.00    +0.020 A 
BRANCH  28  35
ATOM     34  N   LIG    1       10.691   2.066  -1.146  0.00  0.00    -0.191 NA
ATOM     35  C   LIG    1        9.588   1.741  -0.991  0.00  0.00    +0.099 C 
ENDBRANCH  28  35
ENDBRANCH  22  31
ENDBRANCH   1  25
TORSDOF 5