REMARK  Name = BDB036452
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.566   0.522  -1.211  0.00  0.00    +0.192 A 
ATOM      2  C   LIG    1        0.695   0.259  -0.615  0.00  0.00    +0.106 A 
ATOM      3  C   LIG    1        1.051   1.468  -0.053  0.00  0.00    +0.174 A 
ATOM      4  C   LIG    1        2.231   1.694   0.648  0.00  0.00    +0.072 A 
ATOM      5  C   LIG    1        3.117   0.612   0.762  0.00  0.00    +0.035 A 
ATOM      6  C   LIG    1        2.759  -0.641   0.231  0.00  0.00    +0.069 A 
ATOM      7  O   LIG    1        0.072   2.381  -0.288  0.00  0.00    -0.353 OA
ATOM      8  C   LIG    1        1.556  -0.845  -0.475  0.00  0.00    +0.136 A 
ATOM      9  N   LIG    1       -0.946   1.788  -1.016  0.00  0.00    -0.060 NA
ENDROOT
BRANCH   1  10
ATOM     10  N   LIG    1       -1.306  -0.432  -1.895  0.00  0.00    -0.196 N 
ATOM     11  H   LIG    1       -0.994  -1.400  -1.840  0.00  0.00    +0.175 HD
BRANCH  10  12
ATOM     12  S   LIG    1       -2.912  -0.257  -2.319  0.00  0.00    +0.081 S 
ATOM     13  O   LIG    1       -2.984   0.842  -3.259  0.00  0.00    -0.150 OA
ATOM     14  O   LIG    1       -3.368  -1.579  -2.709  0.00  0.00    -0.150 OA
BRANCH  12  16
ATOM     15  C   LIG    1       -4.628   1.214  -0.715  0.00  0.00    +0.150 A 
ATOM     16  C   LIG    1       -3.739   0.140  -0.804  0.00  0.00    +0.191 A 
ATOM     17  C   LIG    1       -3.505  -0.652   0.331  0.00  0.00    +0.150 A 
ATOM     18  C   LIG    1       -4.102  -0.330   1.554  0.00  0.00    +0.048 A 
ATOM     19  C   LIG    1       -4.983   0.746   1.639  0.00  0.00    +0.007 A 
ATOM     20  C   LIG    1       -5.260   1.503   0.502  0.00  0.00    +0.048 A 
BRANCH  15  22
ATOM     21  C   LIG    1       -4.430   3.242  -1.799  0.00  0.00    +0.277 C 
ATOM     22  O   LIG    1       -5.006   1.934  -1.814  0.00  0.00    -0.493 OA
ENDBRANCH  15  22
BRANCH  17  23
ATOM     23  O   LIG    1       -2.644  -1.719   0.284  0.00  0.00    -0.493 OA
ATOM     24  C   LIG    1       -3.360  -2.954   0.376  0.00  0.00    +0.277 C 
ENDBRANCH  17  23
ENDBRANCH  12  16
ENDBRANCH  10  12
ENDBRANCH   1  10
BRANCH   5  25
ATOM     25  N   LIG    1        4.299   0.797   1.522  0.00  0.00    -0.336 N 
ATOM     26  H   LIG    1        4.593   1.775   1.512  0.00  0.00    +0.147 HD
BRANCH  25  27
ATOM     27  C   LIG    1        5.426  -0.106   1.563  0.00  0.00    +0.122 C 
ATOM     28  C   LIG    1        6.403   0.081   0.393  0.00  0.00    +0.184 C 
ATOM     29  O   LIG    1        7.315   0.842   1.227  0.00  0.00    -0.376 OA
ATOM     30  C   LIG    1        6.588   0.433   2.414  0.00  0.00    +0.184 C 
ENDBRANCH  25  27
ENDBRANCH   5  25
BRANCH   8  31
ATOM     31  O   LIG    1        1.145  -2.030  -1.025  0.00  0.00    -0.494 OA
ATOM     32  C   LIG    1        2.037  -3.135  -0.933  0.00  0.00    +0.277 C 
ENDBRANCH   8  31
TORSDOF 8