REMARK  Name = BDB032653
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.840   2.603  -0.510  0.00  0.00    +0.201 A 
ATOM      2  S   LIG    1        0.463   3.082   0.483  0.00  0.00    -0.029 S 
ATOM      3  C   LIG    1        1.459   2.101  -0.518  0.00  0.00    +0.134 A 
ATOM      4  N   LIG    1        0.842   1.599  -1.568  0.00  0.00    -0.140 NA
ATOM      5  N   LIG    1       -0.501   1.917  -1.576  0.00  0.00    -0.124 NA
ENDROOT
BRANCH   3   6
ATOM      6  C   LIG    1        2.839   1.821  -0.139  0.00  0.00    +0.014 A 
ATOM      7  C   LIG    1        3.174   0.698   0.650  0.00  0.00    -0.016 A 
ATOM      8  C   LIG    1        4.527   0.471   0.967  0.00  0.00    +0.006 A 
ATOM      9  C   LIG    1        5.523   1.335   0.513  0.00  0.00    +0.000 A 
ATOM     10  C   LIG    1        5.188   2.438  -0.267  0.00  0.00    +0.001 A 
ATOM     11  C   LIG    1        3.853   2.678  -0.595  0.00  0.00    +0.011 A 
BRANCH   7  12
ATOM     12  C   LIG    1        2.135  -0.275   1.170  0.00  0.00    +0.179 C 
BRANCH  12  13
ATOM     13  N   LIG    1        2.192  -1.558   0.481  0.00  0.00    -0.267 N 
ATOM     14  N   LIG    1        2.680  -2.646   1.119  0.00  0.00    -0.179 NA
ATOM     15  C   LIG    1        2.557  -3.622   0.216  0.00  0.00    +0.134 A 
ATOM     16  C   LIG    1        1.962  -3.179  -0.978  0.00  0.00    +0.041 A 
ATOM     17  C   LIG    1        1.722  -1.841  -0.772  0.00  0.00    +0.108 A 
ENDBRANCH  12  13
ENDBRANCH   7  12
ENDBRANCH   3   6
BRANCH   1  18
ATOM     18  N   LIG    1       -2.235   2.925  -0.266  0.00  0.00    -0.192 N 
ATOM     19  H   LIG    1       -2.776   2.828  -1.129  0.00  0.00    +0.176 HD
BRANCH  18  20
ATOM     20  S   LIG    1       -2.909   1.849   0.875  0.00  0.00    +0.081 S 
ATOM     21  O   LIG    1       -2.105   1.929   2.076  0.00  0.00    -0.150 OA
ATOM     22  O   LIG    1       -4.328   2.140   0.937  0.00  0.00    -0.150 OA
BRANCH  20  24
ATOM     23  C   LIG    1       -2.057  -0.808   0.688  0.00  0.00    +0.150 A 
ATOM     24  C   LIG    1       -2.745   0.258   0.089  0.00  0.00    +0.191 A 
ATOM     25  C   LIG    1       -3.348   0.091  -1.170  0.00  0.00    +0.150 A 
ATOM     26  C   LIG    1       -3.232  -1.121  -1.851  0.00  0.00    +0.048 A 
ATOM     27  C   LIG    1       -2.542  -2.177  -1.267  0.00  0.00    +0.007 A 
ATOM     28  C   LIG    1       -1.959  -2.022  -0.007  0.00  0.00    +0.048 A 
BRANCH  23  30
ATOM     29  C   LIG    1       -1.163  -1.760   2.687  0.00  0.00    +0.277 C 
ATOM     30  O   LIG    1       -1.468  -0.610   1.903  0.00  0.00    -0.493 OA
ENDBRANCH  23  30
BRANCH  25  31
ATOM     31  O   LIG    1       -3.962   1.156  -1.782  0.00  0.00    -0.493 OA
ATOM     32  C   LIG    1       -5.351   0.901  -2.014  0.00  0.00    +0.277 C 
ENDBRANCH  25  31
ENDBRANCH  20  24
ENDBRANCH  18  20
ENDBRANCH   1  18
TORSDOF 8