REMARK  Name = BDB043832
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.045  -1.230   0.390  0.00  0.00    +0.224 C 
ATOM      2  N   LIG    1       -0.239  -2.151  -0.262  0.00  0.00    -0.287 N 
ATOM      3  C   LIG    1        0.977  -2.692   0.372  0.00  0.00    +0.164 C 
ATOM      4  C   LIG    1        1.344  -3.921  -0.477  0.00  0.00    +0.065 C 
ATOM      5  C   LIG    1        0.022  -4.352  -1.087  0.00  0.00    +0.134 C 
ATOM      6  C   LIG    1       -0.686  -3.024  -1.346  0.00  0.00    +0.140 C 
ATOM      7  O   LIG    1       -0.708  -0.761   1.480  0.00  0.00    -0.275 OA
ENDROOT
BRANCH   3   8
ATOM      8  C   LIG    1        2.144  -1.676   0.409  0.00  0.00    +0.234 C 
ATOM      9  N   LIG    1        1.941  -0.616   1.262  0.00  0.00    -0.310 N 
ATOM     10  H   LIG    1        0.993  -0.486   1.622  0.00  0.00    +0.149 HD
ATOM     11  O   LIG    1        3.178  -1.816  -0.240  0.00  0.00    -0.274 OA
BRANCH   9  12
ATOM     12  C   LIG    1        2.845   0.503   1.339  0.00  0.00    +0.139 C 
BRANCH  12  13
ATOM     13  C   LIG    1        2.410   1.614   0.417  0.00  0.00    -0.029 A 
ATOM     14  C   LIG    1        1.597   2.656   0.887  0.00  0.00    +0.025 A 
ATOM     15  C   LIG    1        1.197   3.675   0.022  0.00  0.00    +0.041 A 
ATOM     16 CL   LIG    1        0.211   4.957   0.611  0.00  0.00    -0.084 Cl
ATOM     17  C   LIG    1        1.584   3.662  -1.317  0.00  0.00    +0.020 A 
ATOM     18  C   LIG    1        2.377   2.621  -1.797  0.00  0.00    +0.002 A 
ATOM     19  C   LIG    1        2.786   1.602  -0.935  0.00  0.00    +0.005 A 
ENDBRANCH  12  13
ENDBRANCH   9  12
ENDBRANCH   3   8
BRANCH   5  20
ATOM     20  O   LIG    1       -0.723  -5.123  -0.147  0.00  0.00    -0.390 OA
ATOM     21  H   LIG    1       -0.237  -5.952   0.007  0.00  0.00    +0.210 HD
ENDBRANCH   5  20
BRANCH   1  22
ATOM     22  C   LIG    1       -2.328  -0.826  -0.325  0.00  0.00    +0.173 C 
BRANCH  22  27
ATOM     23  C   LIG    1       -3.453   3.979   0.985  0.00  0.00    +0.069 C 
ATOM     24  C   LIG    1       -3.395   2.517   0.763  0.00  0.00    +0.081 A 
ATOM     25  N   LIG    1       -4.348   1.719   1.259  0.00  0.00    -0.083 NA
ATOM     26  O   LIG    1       -3.992   0.435   0.889  0.00  0.00    -0.359 OA
ATOM     27  C   LIG    1       -2.836   0.472   0.173  0.00  0.00    +0.146 A 
ATOM     28  C   LIG    1       -2.418   1.776   0.061  0.00  0.00    +0.071 A 
ENDBRANCH  22  27
ENDBRANCH   1  22
TORSDOF 6