REMARK  Name = BDB037186
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.318  -0.988   1.366  0.00  0.00    -0.180 N 
ATOM      2  H   LIG    1       -0.005  -0.355   2.091  0.00  0.00    +0.177 HD
ATOM      3  C   LIG    1       -0.636  -1.721   0.627  0.00  0.00    +0.281 C 
ATOM      4  O   LIG    1       -0.413  -2.794   0.091  0.00  0.00    -0.267 OA
ENDROOT
BRANCH   3   5
ATOM      5  C   LIG    1       -1.985  -1.065   0.526  0.00  0.00    +0.131 A 
ATOM      6  N   LIG    1       -3.034  -1.907   0.348  0.00  0.00    -0.208 NA
ATOM      7  C   LIG    1       -4.264  -1.363   0.259  0.00  0.00    +0.220 A 
ATOM      8  C   LIG    1       -4.516   0.002   0.363  0.00  0.00    +0.035 A 
ATOM      9  C   LIG    1       -3.415   0.849   0.539  0.00  0.00    +0.013 A 
ATOM     10  C   LIG    1       -2.132   0.315   0.622  0.00  0.00    +0.033 A 
BRANCH   7  11
ATOM     11  O   LIG    1       -5.349  -2.194   0.061  0.00  0.00    -0.479 OA
ATOM     12  C   LIG    1       -4.988  -3.564  -0.106  0.00  0.00    +0.279 C 
ENDBRANCH   7  11
BRANCH   8  13
ATOM     13  C   LIG    1       -5.904   0.566   0.241  0.00  0.00    +0.184 C 
BRANCH  13  14
ATOM     14  N   LIG    1       -6.157   1.048  -1.109  0.00  0.00    -0.267 N 
ATOM     15  N   LIG    1       -5.906   2.337  -1.423  0.00  0.00    -0.179 NA
ATOM     16  C   LIG    1       -6.259   2.422  -2.708  0.00  0.00    +0.134 A 
ATOM     17  C   LIG    1       -6.742   1.202  -3.214  0.00  0.00    +0.041 A 
ATOM     18  C   LIG    1       -6.669   0.330  -2.154  0.00  0.00    +0.108 A 
ENDBRANCH  13  14
ENDBRANCH   8  13
ENDBRANCH   3   5
BRANCH   1  19
ATOM     19  S   LIG    1        1.887  -1.457   1.656  0.00  0.00    +0.078 S 
ATOM     20  O   LIG    1        2.134  -2.836   1.314  0.00  0.00    -0.150 OA
ATOM     21  O   LIG    1        2.134  -0.975   3.004  0.00  0.00    -0.150 OA
BRANCH  19  23
ATOM     22  C   LIG    1        2.556  -0.296  -0.776  0.00  0.00    +0.147 A 
ATOM     23  C   LIG    1        2.862  -0.445   0.573  0.00  0.00    +0.150 A 
ATOM     24  C   LIG    1        3.974   0.224   1.117  0.00  0.00    +0.039 A 
ATOM     25  C   LIG    1        4.781   1.064   0.327  0.00  0.00    -0.015 A 
ATOM     26  C   LIG    1        4.435   1.215  -1.025  0.00  0.00    +0.010 A 
ATOM     27  C   LIG    1        3.332   0.550  -1.569  0.00  0.00    +0.048 A 
BRANCH  25  28
ATOM     28  C   LIG    1        5.992   1.778   0.926  0.00  0.00    +0.085 C 
ATOM     29  C   LIG    1        5.581   2.688   2.091  0.00  0.00    +0.046 C 
ATOM     30  C   LIG    1        7.051   0.764   1.376  0.00  0.00    +0.046 C 
BRANCH  28  31
ATOM     31  O   LIG    1        6.600   2.617  -0.064  0.00  0.00    -0.385 OA
ATOM     32  H   LIG    1        7.380   3.033   0.339  0.00  0.00    +0.211 HD
ENDBRANCH  28  31
ENDBRANCH  25  28
BRANCH  22  34
ATOM     33  C   LIG    1        1.848  -2.049  -2.087  0.00  0.00    +0.277 C 
ATOM     34  O   LIG    1        1.464  -0.886  -1.346  0.00  0.00    -0.493 OA
ENDBRANCH  22  34
ENDBRANCH  19  23
ENDBRANCH   1  19
TORSDOF 9