REMARK  Name = BDB032845
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        1.051   1.168   1.440  0.00  0.00    -0.270 OA
ATOM      2  C   LIG    1        0.451   0.493   0.608  0.00  0.00    +0.253 C 
ATOM      3  N   LIG    1        1.024  -0.255  -0.391  0.00  0.00    -0.261 N 
ATOM      4  H   LIG    1        0.411  -0.769  -1.015  0.00  0.00    +0.157 HD
ENDROOT
BRANCH   2   5
ATOM      5  C   LIG    1       -1.052   0.467   0.665  0.00  0.00    +0.078 A 
ATOM      6  C   LIG    1       -1.872  -0.257  -0.218  0.00  0.00    +0.129 A 
ATOM      7  C   LIG    1       -3.265  -0.225  -0.091  0.00  0.00    +0.046 A 
ATOM      8  C   LIG    1       -3.856   0.532   0.920  0.00  0.00    +0.004 A 
ATOM      9  C   LIG    1       -3.061   1.256   1.803  0.00  0.00    +0.001 A 
ATOM     10  C   LIG    1       -1.670   1.223   1.677  0.00  0.00    +0.017 A 
BRANCH   6  11
ATOM     11  O   LIG    1       -1.325  -1.013  -1.224  0.00  0.00    -0.506 OA
ATOM     12  H   LIG    1       -2.043  -1.437  -1.727  0.00  0.00    +0.292 HD
ENDBRANCH   6  11
ENDBRANCH   2   5
BRANCH   3  13
ATOM     13  C   LIG    1        2.355  -0.410  -0.671  0.00  0.00    +0.166 A 
ATOM     14  S   LIG    1        3.593   0.347   0.229  0.00  0.00    -0.040 S 
ATOM     15  C   LIG    1        4.742  -0.380  -0.778  0.00  0.00    +0.099 A 
ATOM     16 CL   LIG    1        6.416  -0.117  -0.541  0.00  0.00    -0.074 Cl
ATOM     17  C   LIG    1        4.135  -1.152  -1.735  0.00  0.00    +0.140 A 
ATOM     18  N   LIG    1        2.753  -1.169  -1.672  0.00  0.00    -0.231 NA
ENDBRANCH   3  13
TORSDOF 3