REMARK  Name = BDB065379
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -2.074  -1.989   0.473  0.00  0.00    -0.251 N 
ATOM      2  N   LIG    1       -2.438  -3.169  -0.058  0.00  0.00    -0.065 NA
ATOM      3  N   LIG    1       -3.763  -3.191  -0.107  0.00  0.00    -0.133 NA
ATOM      4  C   LIG    1       -4.230  -2.007   0.406  0.00  0.00    +0.103 A 
ATOM      5  C   LIG    1       -3.156  -1.227   0.782  0.00  0.00    +0.135 A 
ENDROOT
BRANCH   1   6
ATOM      6  C   LIG    1       -0.675  -1.674   0.672  0.00  0.00    +0.145 C 
BRANCH   6   7
ATOM      7  C   LIG    1        0.003  -1.218  -0.619  0.00  0.00    +0.024 C 
BRANCH   7   8
ATOM      8  C   LIG    1        1.492  -0.916  -0.437  0.00  0.00    +0.006 C 
BRANCH   8   9
ATOM      9  C   LIG    1        1.752   0.370   0.353  0.00  0.00    +0.035 C 
BRANCH   9  13
ATOM     10  C   LIG    1        5.991   1.119   0.762  0.00  0.00    +0.059 A 
ATOM     11  C   LIG    1        5.306   1.534  -0.387  0.00  0.00    +0.015 A 
ATOM     12  C   LIG    1        3.935   1.297  -0.516  0.00  0.00    +0.004 A 
ATOM     13  C   LIG    1        3.229   0.641   0.501  0.00  0.00    -0.047 A 
ATOM     14  C   LIG    1        3.918   0.219   1.645  0.00  0.00    +0.004 A 
ATOM     15  C   LIG    1        5.289   0.458   1.779  0.00  0.00    +0.015 A 
BRANCH  10  16
ATOM     16  C   LIG    1        7.451   1.393   0.848  0.00  0.00    +0.339 C 
ATOM     17  O   LIG    1        8.108   1.856  -0.072  0.00  0.00    -0.245 OA
BRANCH  16  19
ATOM     18  C   LIG    1        9.323   1.317   2.242  0.00  0.00    +0.280 C 
ATOM     19  O   LIG    1        7.927   1.067   2.076  0.00  0.00    -0.464 OA
ENDBRANCH  16  19
ENDBRANCH  10  16
ENDBRANCH   9  13
ENDBRANCH   8   9
ENDBRANCH   7   8
ENDBRANCH   6   7
ENDBRANCH   1   6
BRANCH   4  20
ATOM     20  C   LIG    1       -5.689  -1.731   0.486  0.00  0.00    +0.185 C 
BRANCH  20  21
ATOM     21  N   LIG    1       -6.061  -0.718  -0.499  0.00  0.00    -0.290 N 
ATOM     22  C   LIG    1       -6.090   0.625  -0.103  0.00  0.00    +0.351 A 
ATOM     23  O   LIG    1       -5.822   0.951   1.052  0.00  0.00    -0.244 OA
ATOM     24  N   LIG    1       -6.431   1.580  -1.036  0.00  0.00    -0.175 NA
ATOM     25  C   LIG    1       -6.671   1.230  -2.265  0.00  0.00    +0.159 A 
ATOM     26  C   LIG    1       -6.613  -0.179  -2.716  0.00  0.00    +0.179 A 
ATOM     27  F   LIG    1       -6.883  -0.454  -4.003  0.00  0.00    -0.200 F 
ATOM     28  C   LIG    1       -6.307  -1.094  -1.804  0.00  0.00    +0.132 A 
BRANCH  25  29
ATOM     29  N   LIG    1       -6.997   2.232  -3.143  0.00  0.00    -0.341 N 
ATOM     30  H   LIG    1       -7.281   3.090  -2.679  0.00  0.00    +0.144 HD
ATOM     31  H   LIG    1       -7.572   1.978  -3.939  0.00  0.00    +0.144 HD
ENDBRANCH  25  29
ENDBRANCH  20  21
ENDBRANCH   4  20
TORSDOF 10