REMARK  Name = BDB035940
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.416  -0.892   0.985  0.00  0.00    -0.001 A 
ATOM      2  C   LIG    1        1.389  -0.112   0.455  0.00  0.00    +0.007 A 
ATOM      3  C   LIG    1        1.346   1.348   0.181  0.00  0.00    +0.080 C 
ATOM      4  C   LIG    1        0.088   1.401  -0.683  0.00  0.00    +0.234 C 
ATOM      5  O   LIG    1       -0.759   0.288  -0.325  0.00  0.00    -0.491 OA
ATOM      6  C   LIG    1        0.144  -0.659   0.135  0.00  0.00    +0.139 A 
ATOM      7  C   LIG    1       -0.115  -2.016   0.315  0.00  0.00    +0.106 A 
ATOM      8  C   LIG    1        0.914  -2.766   0.862  0.00  0.00    +0.173 A 
ATOM      9  O   LIG    1        0.492  -4.046   1.034  0.00  0.00    -0.353 OA
ATOM     10  N   LIG    1       -0.822  -4.159   0.611  0.00  0.00    -0.060 NA
ATOM     11  C   LIG    1       -1.154  -2.956   0.125  0.00  0.00    +0.192 A 
ATOM     12  C   LIG    1        2.178  -2.264   1.200  0.00  0.00    +0.059 A 
ENDROOT
BRANCH   1  15
ATOM     13  C   LIG    1        5.361   1.030   2.321  0.00  0.00    +0.128 A 
ATOM     14  C   LIG    1        3.976   0.708   2.247  0.00  0.00    +0.061 A 
ATOM     15  C   LIG    1        3.706  -0.303   1.345  0.00  0.00    +0.023 A 
ATOM     16  S   LIG    1        5.140  -0.855   0.587  0.00  0.00    -0.093 S 
ATOM     17  C   LIG    1        6.109   0.251   1.466  0.00  0.00    +0.091 A 
BRANCH  13  19
ATOM     18  C   LIG    1        7.219   2.201   3.162  0.00  0.00    +0.277 C 
ATOM     19  O   LIG    1        5.811   2.001   3.155  0.00  0.00    -0.495 OA
ENDBRANCH  13  19
ENDBRANCH   1  15
BRANCH  11  20
ATOM     20  N   LIG    1       -2.426  -2.769  -0.400  0.00  0.00    -0.196 N 
ATOM     21  H   LIG    1       -3.021  -3.593  -0.322  0.00  0.00    +0.175 HD
BRANCH  20  22
ATOM     22  S   LIG    1       -2.660  -2.085  -1.924  0.00  0.00    +0.081 S 
ATOM     23  O   LIG    1       -1.353  -1.898  -2.522  0.00  0.00    -0.150 OA
ATOM     24  O   LIG    1       -3.653  -2.924  -2.568  0.00  0.00    -0.150 OA
BRANCH  22  25
ATOM     25  C   LIG    1       -3.434  -0.509  -1.645  0.00  0.00    +0.191 A 
ATOM     26  C   LIG    1       -4.215  -0.276  -0.503  0.00  0.00    +0.150 A 
ATOM     27  C   LIG    1       -4.791   0.984  -0.300  0.00  0.00    +0.048 A 
ATOM     28  C   LIG    1       -4.574   2.012  -1.213  0.00  0.00    +0.007 A 
ATOM     29  C   LIG    1       -3.805   1.780  -2.352  0.00  0.00    +0.048 A 
ATOM     30  C   LIG    1       -3.234   0.522  -2.584  0.00  0.00    +0.150 A 
BRANCH  26  31
ATOM     31  O   LIG    1       -4.515  -1.298   0.359  0.00  0.00    -0.493 OA
ATOM     32  C   LIG    1       -4.233  -0.983   1.724  0.00  0.00    +0.277 C 
ENDBRANCH  26  31
BRANCH  30  33
ATOM     33  O   LIG    1       -2.539   0.224  -3.724  0.00  0.00    -0.493 OA
ATOM     34  C   LIG    1       -2.036   1.302  -4.501  0.00  0.00    +0.277 C 
ENDBRANCH  30  33
ENDBRANCH  22  25
ENDBRANCH  20  22
ENDBRANCH  11  20
TORSDOF 7