REMARK  Name = BDB023290
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -2.025  -0.586   1.251  0.00  0.00    -0.179 N 
ATOM      2  H   LIG    1       -2.098  -0.535   0.242  0.00  0.00    +0.177 HD
ATOM      3  C   LIG    1       -0.814  -0.311   1.900  0.00  0.00    +0.298 C 
ATOM      4  O   LIG    1       -0.721  -0.199   3.113  0.00  0.00    -0.265 OA
ENDROOT
BRANCH   3   5
ATOM      5  C   LIG    1        0.301  -0.164   0.981  0.00  0.00    +0.192 A 
ATOM      6  O   LIG    1        1.511   0.224   1.504  0.00  0.00    -0.450 OA
ATOM      7  C   LIG    1        2.403   0.301   0.482  0.00  0.00    +0.140 A 
ATOM      8  C   LIG    1        1.790  -0.034  -0.713  0.00  0.00    +0.056 A 
ATOM      9  C   LIG    1        2.569  -0.002  -1.875  0.00  0.00    +0.136 A 
ATOM     10  C   LIG    1        3.919   0.356  -1.800  0.00  0.00    +0.062 A 
ATOM     11  C   LIG    1        4.520   0.680  -0.573  0.00  0.00    +0.036 A 
ATOM     12  F   LIG    1        2.032  -0.307  -3.064  0.00  0.00    -0.205 F 
ATOM     13  C   LIG    1        3.744   0.664   0.600  0.00  0.00    +0.070 A 
ATOM     14  C   LIG    1        0.440  -0.334  -0.389  0.00  0.00    +0.066 A 
BRANCH  11  15
ATOM     15  N   LIG    1        5.882   1.052  -0.521  0.00  0.00    -0.330 N 
ATOM     16  C   LIG    1        6.761   0.967   0.613  0.00  0.00    +0.106 C 
ATOM     17  C   LIG    1        7.915   1.158  -0.376  0.00  0.00    +0.038 C 
ATOM     18  C   LIG    1        6.921   0.679  -1.439  0.00  0.00    +0.106 C 
ENDBRANCH  11  15
ENDBRANCH   3   5
BRANCH   1  19
ATOM     19  S   LIG    1       -3.474  -0.661   2.069  0.00  0.00    +0.080 S 
ATOM     20  O   LIG    1       -3.744   0.649   2.620  0.00  0.00    -0.150 OA
ATOM     21  O   LIG    1       -3.425  -1.868   2.862  0.00  0.00    -0.150 OA
BRANCH  19  23
ATOM     22  C   LIG    1       -4.512  -0.460  -0.520  0.00  0.00    +0.149 A 
ATOM     23  C   LIG    1       -4.681  -0.899   0.811  0.00  0.00    +0.178 A 
ATOM     24  C   LIG    1       -5.922  -1.516   1.107  0.00  0.00    +0.130 A 
ATOM     25  C   LIG    1       -6.945  -1.734   0.013  0.00  0.00    +0.102 A 
ATOM     26  N   LIG    1       -8.064  -2.337   0.437  0.00  0.00    -0.191 NA
ATOM     27  S   LIG    1       -7.871  -2.598   2.064  0.00  0.00    +0.117 S 
ATOM     28  C   LIG    1       -6.695  -1.325  -1.317  0.00  0.00    +0.034 A 
ATOM     29  N   LIG    1       -6.363  -1.956   2.295  0.00  0.00    -0.189 NA
ATOM     30  C   LIG    1       -5.465  -0.690  -1.546  0.00  0.00    +0.050 A 
BRANCH  22  32
ATOM     31  C   LIG    1       -3.582   1.588  -1.058  0.00  0.00    +0.277 C 
ATOM     32  O   LIG    1       -3.348   0.181  -0.891  0.00  0.00    -0.493 OA
ENDBRANCH  22  32
ENDBRANCH  19  23
ENDBRANCH   1  19
TORSDOF 5