REMARK  Name = BDB059068
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.319  -0.509   0.261  0.00  0.00    +0.076 A 
ATOM      2  C   LIG    1       -0.976  -0.960   0.447  0.00  0.00    +0.056 A 
ATOM      3  C   LIG    1       -0.196   0.128   0.048  0.00  0.00    +0.165 A 
ATOM      4  N   LIG    1        1.154   0.179   0.028  0.00  0.00    -0.227 NA
ATOM      5  C   LIG    1        1.800  -0.926   0.442  0.00  0.00    +0.074 A 
ATOM      6  C   LIG    1        1.135  -2.072   0.854  0.00  0.00    +0.044 A 
ATOM      7  N   LIG    1       -1.069   1.141  -0.332  0.00  0.00    -0.214 N 
ATOM      8  C   LIG    1       -0.270  -2.112   0.861  0.00  0.00    +0.073 A 
ATOM      9  N   LIG    1       -2.359   0.735  -0.232  0.00  0.00    -0.169 NA
ENDROOT
BRANCH   7  10
ATOM     10  C   LIG    1       -0.789   2.467  -0.792  0.00  0.00    +0.068 A 
ATOM     11  C   LIG    1        0.517   2.969  -0.878  0.00  0.00    +0.029 A 
ATOM     12  C   LIG    1        0.746   4.274  -1.333  0.00  0.00    +0.022 A 
ATOM     13  C   LIG    1       -0.325   5.083  -1.703  0.00  0.00    +0.041 A 
ATOM     14 CL   LIG    1       -0.035   6.684  -2.261  0.00  0.00    -0.084 Cl
ATOM     15  C   LIG    1       -1.628   4.603  -1.621  0.00  0.00    +0.022 A 
ATOM     16  C   LIG    1       -1.860   3.301  -1.166  0.00  0.00    +0.029 A 
ENDBRANCH   7  10
BRANCH   5  17
ATOM     17  C   LIG    1        3.276  -0.837   0.414  0.00  0.00    +0.000 A 
ATOM     18  C   LIG    1        3.932  -0.137  -0.616  0.00  0.00    +0.010 A 
ATOM     19  C   LIG    1        5.326  -0.043  -0.661  0.00  0.00    +0.001 A 
ATOM     20  C   LIG    1        6.096  -0.645   0.329  0.00  0.00    +0.000 A 
ATOM     21  C   LIG    1        5.473  -1.336   1.365  0.00  0.00    +0.001 A 
ATOM     22  C   LIG    1        4.078  -1.429   1.407  0.00  0.00    +0.010 A 
ENDBRANCH   5  17
BRANCH   1  24
ATOM     23  C   LIG    1       -3.935  -2.200  -0.645  0.00  0.00    +0.014 C 
ATOM     24  C   LIG    1       -3.629  -1.225   0.495  0.00  0.00    +0.034 C 
ATOM     25  C   LIG    1       -4.821  -0.274   0.686  0.00  0.00    +0.014 C 
ENDBRANCH   1  24
BRANCH   8  26
ATOM     26  C   LIG    1       -0.948  -3.349   1.308  0.00  0.00    +0.338 C 
ATOM     27  O   LIG    1       -2.092  -3.476   1.689  0.00  0.00    -0.245 OA
BRANCH  26  28
ATOM     28  O   LIG    1       -0.131  -4.419   1.254  0.00  0.00    -0.477 OA
ATOM     29  H   LIG    1       -0.695  -5.163   1.557  0.00  0.00    +0.295 HD
ENDBRANCH  26  28
ENDBRANCH   8  26
TORSDOF 5