REMARK  Name = BDB017003
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.362   0.272   0.330  0.00  0.00    +0.107 A 
ATOM      2  N   LIG    1        1.777  -0.860   0.865  0.00  0.00    -0.234 NA
ATOM      3  C   LIG    1        0.498  -0.574   0.969  0.00  0.00    +0.200 A 
ATOM      4  N   LIG    1        0.230   0.684   0.512  0.00  0.00    -0.335 N 
ATOM      5  C   LIG    1        1.408   1.242   0.105  0.00  0.00    +0.117 A 
ENDROOT
BRANCH   1   8
ATOM      6  C   LIG    1        6.003  -0.478   0.107  0.00  0.00    +0.062 A 
ATOM      7  C   LIG    1        4.652  -0.625   0.414  0.00  0.00    +0.045 A 
ATOM      8  C   LIG    1        3.785   0.395   0.049  0.00  0.00    +0.091 A 
ATOM      9  N   LIG    1        4.202   1.526  -0.577  0.00  0.00    -0.253 NA
ATOM     10  C   LIG    1        5.521   1.650  -0.833  0.00  0.00    +0.112 A 
ATOM     11  C   LIG    1        6.456   0.686  -0.513  0.00  0.00    +0.035 A 
BRANCH   6  13
ATOM     12  O   LIG    1        8.138  -1.244   0.792  0.00  0.00    -0.245 OA
ATOM     13  C   LIG    1        6.998  -1.515   0.456  0.00  0.00    +0.337 C 
BRANCH  13  14
ATOM     14  O   LIG    1        6.542  -2.776   0.317  0.00  0.00    -0.477 OA
ATOM     15  H   LIG    1        5.665  -2.865  -0.100  0.00  0.00    +0.295 HD
ENDBRANCH  13  14
ENDBRANCH   6  13
ENDBRANCH   1   8
BRANCH   4  16
ATOM     16  C   LIG    1       -1.075   1.316   0.478  0.00  0.00    +0.138 C 
BRANCH  16  17
ATOM     17  C   LIG    1       -1.796   1.054  -0.849  0.00  0.00    +0.102 C 
BRANCH  17  18
ATOM     18  N   LIG    1       -3.097   1.714  -0.973  0.00  0.00    -0.314 NA
ATOM     19  H   LIG    1       -3.429   1.641  -1.936  0.00  0.00    +0.122 HD
BRANCH  18  20
ATOM     20  C   LIG    1       -4.142   1.265  -0.054  0.00  0.00    +0.085 C 
BRANCH  20  21
ATOM     21  C   LIG    1       -4.663  -0.131  -0.373  0.00  0.00    +0.014 C 
ATOM     22  C   LIG    1       -3.908  -1.357   0.205  0.00  0.00    +0.080 C 
ATOM     23  C   LIG    1       -5.284  -2.007   0.469  0.00  0.00    +0.250 C 
ATOM     24  F   LIG    1       -5.391  -2.706   1.619  0.00  0.00    -0.206 F 
ATOM     25  F   LIG    1       -5.747  -2.803  -0.522  0.00  0.00    -0.206 F 
ATOM     26  C   LIG    1       -5.867  -0.577   0.495  0.00  0.00    +0.080 C 
ENDBRANCH  20  21
ENDBRANCH  18  20
ENDBRANCH  17  18
ENDBRANCH  16  17
ENDBRANCH   4  16
TORSDOF 8