REMARK  Name = BDB035008
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -4.375  -1.905   0.581  0.00  0.00    +0.173 C 
ATOM      2  N   LIG    1       -2.938  -2.064   0.594  0.00  0.00    -0.265 N 
ATOM      3  C   LIG    1       -1.978  -1.144   0.223  0.00  0.00    +0.091 A 
ATOM      4  C   LIG    1       -0.769  -1.810   0.367  0.00  0.00    +0.076 A 
ATOM      5  C   LIG    1       -1.120  -3.098   0.832  0.00  0.00    +0.158 A 
ATOM      6  N   LIG    1       -2.435  -3.253   0.981  0.00  0.00    -0.177 NA
ENDROOT
BRANCH   4   7
ATOM      7  N   LIG    1        0.482  -1.324   0.081  0.00  0.00    -0.321 N 
ATOM      8  C   LIG    1        0.898  -0.079   0.777  0.00  0.00    +0.160 C 
ATOM      9  C   LIG    1        2.257   0.450   0.340  0.00  0.00    +0.064 A 
ATOM     10  C   LIG    1        3.106  -0.317  -0.466  0.00  0.00    -0.020 A 
ATOM     11  C   LIG    1        4.336   0.227  -0.839  0.00  0.00    +0.047 A 
ATOM     12  C   LIG    1        4.681   1.489  -0.380  0.00  0.00    +0.163 A 
ATOM     13  C   LIG    1        3.800   2.186   0.443  0.00  0.00    +0.152 A 
ATOM     14  F   LIG    1        5.867   2.014  -0.722  0.00  0.00    -0.202 F 
ATOM     15  C   LIG    1        2.672  -1.664  -0.972  0.00  0.00    +0.056 C 
ATOM     16  N   LIG    1        2.602   1.685   0.802  0.00  0.00    -0.233 NA
ATOM     17  C   LIG    1        1.585  -2.283  -0.090  0.00  0.00    +0.110 C 
BRANCH  13  18
ATOM     18  N   LIG    1        4.088   3.473   0.897  0.00  0.00    -0.341 N 
ATOM     19  H   LIG    1        3.356   3.750   1.543  0.00  0.00    +0.144 HD
ATOM     20  H   LIG    1        5.019   3.531   1.295  0.00  0.00    +0.144 HD
ENDBRANCH  13  18
ENDBRANCH   4   7
BRANCH   3  21
ATOM     21  C   LIG    1       -2.284   0.187  -0.314  0.00  0.00    +0.019 A 
ATOM     22  C   LIG    1       -2.759   1.242   0.486  0.00  0.00    +0.061 A 
ATOM     23  C   LIG    1       -3.027   2.492  -0.093  0.00  0.00    +0.019 A 
ATOM     24  C   LIG    1       -2.817   2.699  -1.457  0.00  0.00    +0.001 A 
ATOM     25  C   LIG    1       -2.336   1.662  -2.250  0.00  0.00    +0.001 A 
ATOM     26  C   LIG    1       -2.069   0.415  -1.683  0.00  0.00    +0.011 A 
BRANCH  22  27
ATOM     27  C   LIG    1       -2.967   1.087   1.898  0.00  0.00    +0.100 C 
ATOM     28  N   LIG    1       -3.163   0.975   3.036  0.00  0.00    -0.191 NA
ENDBRANCH  22  27
ENDBRANCH   3  21
TORSDOF 4