REMARK  Name = BDB023191
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.219  -1.803  -2.471  0.00  0.00    -0.179 N 
ATOM      2  H   LIG    1       -0.265  -0.989  -1.862  0.00  0.00    +0.177 HD
ATOM      3  C   LIG    1        0.611  -2.860  -2.083  0.00  0.00    +0.298 C 
ATOM      4  O   LIG    1        0.607  -3.961  -2.611  0.00  0.00    -0.265 OA
ENDROOT
BRANCH   3   5
ATOM      5  C   LIG    1        1.476  -2.494  -0.982  0.00  0.00    +0.192 A 
ATOM      6  O   LIG    1        1.404  -1.227  -0.455  0.00  0.00    -0.450 OA
ATOM      7  C   LIG    1        2.317  -1.157   0.553  0.00  0.00    +0.140 A 
ATOM      8  C   LIG    1        2.979  -2.368   0.688  0.00  0.00    +0.056 A 
ATOM      9  C   LIG    1        3.959  -2.464   1.683  0.00  0.00    +0.136 A 
ATOM     10  C   LIG    1        4.235  -1.363   2.500  0.00  0.00    +0.062 A 
ATOM     11  C   LIG    1        3.542  -0.152   2.351  0.00  0.00    +0.036 A 
ATOM     12  F   LIG    1        4.641  -3.604   1.862  0.00  0.00    -0.205 F 
ATOM     13  C   LIG    1        2.565  -0.037   1.346  0.00  0.00    +0.070 A 
ATOM     14  C   LIG    1        2.434  -3.224  -0.302  0.00  0.00    +0.066 A 
BRANCH  11  15
ATOM     15  N   LIG    1        3.842   0.952   3.179  0.00  0.00    -0.330 N 
ATOM     16  C   LIG    1        2.979   2.051   3.511  0.00  0.00    +0.106 C 
ATOM     17  C   LIG    1        3.969   2.379   4.633  0.00  0.00    +0.038 C 
ATOM     18  C   LIG    1        4.423   0.922   4.493  0.00  0.00    +0.106 C 
ENDBRANCH  11  15
ENDBRANCH   3   5
BRANCH   1  19
ATOM     19  S   LIG    1       -1.526  -2.024  -3.467  0.00  0.00    +0.078 S 
ATOM     20  O   LIG    1       -2.480  -2.891  -2.811  0.00  0.00    -0.150 OA
ATOM     21  O   LIG    1       -1.024  -2.301  -4.797  0.00  0.00    -0.150 OA
BRANCH  19  31
ATOM     22  C   LIG    1       -1.644  -0.089   1.167  0.00  0.00    +0.055 C 
ATOM     23  C   LIG    1       -2.588   0.366   0.045  0.00  0.00    +0.105 C 
ATOM     24  O   LIG    1       -2.060  -0.205  -1.166  0.00  0.00    -0.484 OA
ATOM     25  C   LIG    1       -2.490   0.328  -2.352  0.00  0.00    +0.151 A 
ATOM     26  C   LIG    1       -3.096   1.590  -2.435  0.00  0.00    -0.004 A 
ATOM     27  C   LIG    1       -3.486   2.090  -3.687  0.00  0.00    +0.007 A 
ATOM     28  C   LIG    1       -3.258   1.355  -4.849  0.00  0.00    +0.002 A 
ATOM     29  C   LIG    1       -2.648   0.105  -4.771  0.00  0.00    +0.032 A 
ATOM     30  C   LIG    1       -3.381   2.402  -1.204  0.00  0.00    +0.043 C 
ATOM     31  C   LIG    1       -2.270  -0.407  -3.524  0.00  0.00    +0.150 A 
ATOM     32  C   LIG    1       -2.572   1.898  -0.021  0.00  0.00    +0.052 C 
ATOM     33  C   LIG    1       -3.983  -0.215   0.319  0.00  0.00    +0.055 C 
ENDBRANCH  19  31
ENDBRANCH   1  19
TORSDOF 4