REMARK  Name = BDB035059
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.169  -1.905  -2.650  0.00  0.00    -0.196 N 
ATOM      2  H   LIG    1        0.188  -2.165  -3.571  0.00  0.00    +0.175 HD
ENDROOT
BRANCH   1   3
ATOM      3  C   LIG    1       -1.546  -1.702  -2.685  0.00  0.00    +0.192 A 
ATOM      4  C   LIG    1       -2.367  -1.082  -1.707  0.00  0.00    +0.106 A 
ATOM      5  C   LIG    1       -3.632  -1.165  -2.261  0.00  0.00    +0.173 A 
ATOM      6  C   LIG    1       -4.799  -0.711  -1.651  0.00  0.00    +0.055 A 
ATOM      7  C   LIG    1       -4.656  -0.123  -0.386  0.00  0.00    -0.019 A 
ATOM      8  C   LIG    1       -3.376   0.004   0.191  0.00  0.00    +0.052 A 
ATOM      9  O   LIG    1       -3.556  -1.739  -3.491  0.00  0.00    -0.353 OA
ATOM     10  C   LIG    1       -2.211  -0.447  -0.459  0.00  0.00    +0.135 A 
ATOM     11  N   LIG    1       -2.236  -2.042  -3.778  0.00  0.00    -0.060 NA
BRANCH  10  12
ATOM     12  O   LIG    1       -0.944  -0.308   0.039  0.00  0.00    -0.494 OA
ATOM     13  C   LIG    1       -0.759   0.690   1.037  0.00  0.00    +0.277 C 
ENDBRANCH  10  12
BRANCH   7  14
ATOM     14  C   LIG    1       -5.870   0.389   0.356  0.00  0.00    +0.178 C 
BRANCH  14  15
ATOM     15  N   LIG    1       -5.900   1.845   0.387  0.00  0.00    -0.267 N 
ATOM     16  N   LIG    1       -5.423   2.511   1.462  0.00  0.00    -0.179 NA
ATOM     17  C   LIG    1       -5.626   3.794   1.153  0.00  0.00    +0.134 A 
ATOM     18  C   LIG    1       -6.236   3.954  -0.104  0.00  0.00    +0.041 A 
ATOM     19  C   LIG    1       -6.407   2.674  -0.575  0.00  0.00    +0.108 A 
ENDBRANCH  14  15
ENDBRANCH   7  14
ENDBRANCH   1   3
BRANCH   1  20
ATOM     20  S   LIG    1        0.442  -3.058  -1.571  0.00  0.00    +0.077 S 
ATOM     21  O   LIG    1        1.074  -4.090  -2.369  0.00  0.00    -0.150 OA
ATOM     22  O   LIG    1       -0.572  -3.408  -0.597  0.00  0.00    -0.150 OA
BRANCH  20  24
ATOM     23  C   LIG    1        2.762  -1.550  -1.454  0.00  0.00    +0.148 A 
ATOM     24  C   LIG    1        1.734  -2.174  -0.731  0.00  0.00    +0.150 A 
ATOM     25  C   LIG    1        1.715  -2.140   0.672  0.00  0.00    +0.034 A 
ATOM     26  C   LIG    1        2.719  -1.465   1.364  0.00  0.00    +0.019 A 
ATOM     27  C   LIG    1        3.737  -0.827   0.657  0.00  0.00    +0.029 A 
ATOM     28  C   LIG    1        3.759  -0.869  -0.743  0.00  0.00    +0.064 A 
BRANCH  23  30
ATOM     29  C   LIG    1        3.865  -1.210  -3.545  0.00  0.00    +0.277 C 
ATOM     30  O   LIG    1        2.715  -1.631  -2.819  0.00  0.00    -0.493 OA
ENDBRANCH  23  30
BRANCH  27  31
ATOM     31  C   LIG    1        4.763  -0.125   1.365  0.00  0.00    -0.066 C 
ATOM     32  C   LIG    1        5.623   0.466   1.961  0.00  0.00    -0.094 C 
BRANCH  32  33
ATOM     33  C   LIG    1        6.649   1.169   2.672  0.00  0.00    +0.064 C 
ATOM     34  C   LIG    1        6.258   2.336   3.541  0.00  0.00    +0.017 C 
ATOM     35  C   LIG    1        6.703   1.048   4.173  0.00  0.00    +0.017 C 
ENDBRANCH  32  33
ENDBRANCH  27  31
ENDBRANCH  20  24
ENDBRANCH   1  20
TORSDOF 9