REMARK  Name = BDB029817
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.589  -2.704  -0.070  0.00  0.00    +0.262 C 
ATOM      2  N   LIG    1        1.571  -3.311  -0.836  0.00  0.00    -0.228 N 
ATOM      3  H   LIG    1        1.755  -3.001  -1.791  0.00  0.00    +0.171 HD
ATOM      4  O   LIG    1        0.538  -2.854   1.150  0.00  0.00    -0.269 OA
ENDROOT
BRANCH   1   7
ATOM      5  C   LIG    1       -1.813   0.157  -0.618  0.00  0.00    +0.004 A 
ATOM      6  C   LIG    1       -0.962  -0.778  -0.011  0.00  0.00    +0.026 A 
ATOM      7  C   LIG    1       -0.349  -1.791  -0.763  0.00  0.00    +0.075 A 
ATOM      8  C   LIG    1       -0.607  -1.879  -2.128  0.00  0.00    +0.154 A 
ATOM      9  F   LIG    1       -0.018  -2.832  -2.868  0.00  0.00    -0.203 F 
ATOM     10  C   LIG    1       -1.472  -0.969  -2.736  0.00  0.00    +0.077 A 
ATOM     11 CL   LIG    1       -1.797  -1.072  -4.425  0.00  0.00    -0.081 Cl
ATOM     12  C   LIG    1       -2.072   0.047  -1.990  0.00  0.00    +0.033 A 
BRANCH   5  16
ATOM     13  C   LIG    1       -4.659   3.812   1.152  0.00  0.00    +0.150 C 
ATOM     14  N   LIG    1       -3.614   2.840   0.956  0.00  0.00    -0.339 N 
ATOM     15  C   LIG    1       -3.514   1.951  -0.077  0.00  0.00    +0.115 A 
ATOM     16  C   LIG    1       -2.364   1.235   0.182  0.00  0.00    +0.089 A 
ATOM     17  N   LIG    1       -1.769   1.683   1.340  0.00  0.00    -0.236 NA
ATOM     18  C   LIG    1       -2.547   2.645   1.783  0.00  0.00    +0.199 A 
ENDBRANCH   5  16
ENDBRANCH   1   7
BRANCH   2  19
ATOM     19  N   LIG    1        2.806  -3.761  -0.051  0.00  0.00    -0.106 NA
ATOM     20  H   LIG    1        2.572  -3.955   0.933  0.00  0.00    +0.172 HD
BRANCH  19  21
ATOM     21  S   LIG    1        4.146  -2.689  -0.127  0.00  0.00    +0.094 S 
ATOM     22  O   LIG    1        5.177  -3.217   0.742  0.00  0.00    -0.150 OA
ATOM     23  O   LIG    1        4.389  -2.378  -1.521  0.00  0.00    -0.150 OA
BRANCH  21  24
ATOM     24  C   LIG    1        3.706  -1.168   0.586  0.00  0.00    +0.236 A 
ATOM     25  N   LIG    1        2.626  -0.426   0.264  0.00  0.00    -0.132 NA
ATOM     26  N   LIG    1        2.744   0.600   1.134  0.00  0.00    -0.185 N 
ATOM     27  C   LIG    1        1.731   1.624   1.227  0.00  0.00    +0.197 C 
ATOM     28  N   LIG    1        3.815   0.605   1.955  0.00  0.00    -0.159 NA
ATOM     29  C   LIG    1        4.430  -0.529   1.602  0.00  0.00    +0.185 A 
ENDBRANCH  21  24
ENDBRANCH  19  21
ENDBRANCH   2  19
TORSDOF 5