REMARK  Name = BDB017027
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.160  -0.931  -0.019  0.00  0.00    +0.107 A 
ATOM      2  N   LIG    1        0.967  -2.140  -0.658  0.00  0.00    -0.234 NA
ATOM      3  C   LIG    1       -0.063  -2.692  -0.058  0.00  0.00    +0.200 A 
ATOM      4  N   LIG    1       -0.543  -1.896   0.942  0.00  0.00    -0.336 N 
ATOM      5  C   LIG    1        0.233  -0.774   0.991  0.00  0.00    +0.117 A 
ENDROOT
BRANCH   1   8
ATOM      6  C   LIG    1        4.035   0.710  -1.741  0.00  0.00    +0.062 A 
ATOM      7  C   LIG    1        3.054  -0.233  -1.435  0.00  0.00    +0.045 A 
ATOM      8  C   LIG    1        2.200   0.026  -0.373  0.00  0.00    +0.091 A 
ATOM      9  N   LIG    1        2.283   1.157   0.377  0.00  0.00    -0.253 NA
ATOM     10  C   LIG    1        3.242   2.050   0.056  0.00  0.00    +0.112 A 
ATOM     11  C   LIG    1        4.135   1.877  -0.984  0.00  0.00    +0.035 A 
BRANCH   6  13
ATOM     12  O   LIG    1        4.936  -0.556  -3.579  0.00  0.00    -0.245 OA
ATOM     13  C   LIG    1        4.947   0.434  -2.873  0.00  0.00    +0.337 C 
BRANCH  13  14
ATOM     14  O   LIG    1        5.840   1.421  -3.072  0.00  0.00    -0.477 OA
ATOM     15  H   LIG    1        6.364   1.105  -3.839  0.00  0.00    +0.295 HD
ENDBRANCH  13  14
ENDBRANCH   6  13
ENDBRANCH   1   8
BRANCH   4  16
ATOM     16  C   LIG    1       -1.643  -2.215   1.827  0.00  0.00    +0.127 C 
BRANCH  16  17
ATOM     17  C   LIG    1       -3.022  -1.873   1.254  0.00  0.00    +0.058 C 
BRANCH  17  18
ATOM     18  C   LIG    1       -3.280  -0.386   1.149  0.00  0.00    -0.027 A 
ATOM     19  C   LIG    1       -3.186   0.329  -0.057  0.00  0.00    +0.044 A 
ATOM     20 CL   LIG    1       -2.804  -0.441  -1.556  0.00  0.00    -0.083 Cl
ATOM     21  C   LIG    1       -3.405   1.710  -0.084  0.00  0.00    +0.020 A 
ATOM     22  C   LIG    1       -3.724   2.395   1.087  0.00  0.00    +0.001 A 
ATOM     23  C   LIG    1       -3.824   1.702   2.289  0.00  0.00    +0.000 A 
ATOM     24  C   LIG    1       -3.604   0.324   2.321  0.00  0.00    +0.005 A 
ENDBRANCH  17  18
ENDBRANCH  16  17
ENDBRANCH   4  16
TORSDOF 6