REMARK  Name = BDB017034
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.021  -0.555   1.467  0.00  0.00    +0.107 A 
ATOM      2  N   LIG    1       -0.493  -1.352   2.464  0.00  0.00    -0.234 NA
ATOM      3  C   LIG    1        0.706  -0.876   2.708  0.00  0.00    +0.200 A 
ATOM      4  N   LIG    1        0.986   0.195   1.911  0.00  0.00    -0.332 N 
ATOM      5  C   LIG    1       -0.109   0.424   1.120  0.00  0.00    +0.117 A 
ENDROOT
BRANCH   1   8
ATOM      6  C   LIG    1       -3.987  -0.426  -0.825  0.00  0.00    +0.062 A 
ATOM      7  C   LIG    1       -2.695  -0.209  -0.343  0.00  0.00    +0.045 A 
ATOM      8  C   LIG    1       -2.353  -0.738   0.894  0.00  0.00    +0.091 A 
ATOM      9  N   LIG    1       -3.233  -1.455   1.639  0.00  0.00    -0.253 NA
ATOM     10  C   LIG    1       -4.473  -1.651   1.148  0.00  0.00    +0.112 A 
ATOM     11  C   LIG    1       -4.897  -1.160  -0.069  0.00  0.00    +0.035 A 
BRANCH   6  13
ATOM     12  O   LIG    1       -5.534  -0.057  -2.627  0.00  0.00    -0.245 OA
ATOM     13  C   LIG    1       -4.433   0.102  -2.134  0.00  0.00    +0.337 C 
BRANCH  13  14
ATOM     14  O   LIG    1       -3.479   0.808  -2.764  0.00  0.00    -0.477 OA
ATOM     15  H   LIG    1       -3.906   1.086  -3.602  0.00  0.00    +0.295 HD
ENDBRANCH  13  14
ENDBRANCH   6  13
ENDBRANCH   1   8
BRANCH   4  16
ATOM     16  C   LIG    1        2.206   0.981   1.948  0.00  0.00    +0.158 C 
BRANCH  16  17
ATOM     17  C   LIG    1        3.060   0.740   0.729  0.00  0.00    -0.025 A 
ATOM     18  C   LIG    1        3.169   1.719  -0.269  0.00  0.00    +0.043 A 
ATOM     19  C   LIG    1        3.954   1.484  -1.393  0.00  0.00    +0.124 A 
ATOM     20  F   LIG    1        4.048   2.429  -2.338  0.00  0.00    -0.205 F 
ATOM     21  C   LIG    1        4.639   0.286  -1.553  0.00  0.00    +0.038 A 
ATOM     22  C   LIG    1        4.538  -0.696  -0.570  0.00  0.00    +0.003 A 
ATOM     23  C   LIG    1        3.753  -0.472   0.565  0.00  0.00    +0.005 A 
ENDBRANCH  16  17
ENDBRANCH   4  16
TORSDOF 5