REMARK  Name = BDB002035
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.969   0.209  -0.251  0.00  0.00    -0.006 C 
ATOM      2  S   LIG    1        3.741   1.775  -0.389  0.00  0.00    -0.051 S 
ATOM      3  C   LIG    1        2.211   2.650  -0.287  0.00  0.00    +0.224 C 
ATOM      4  O   LIG    1        2.093   3.862  -0.324  0.00  0.00    -0.279 OA
ATOM      5  C   LIG    1        1.121   1.639  -0.148  0.00  0.00    +0.030 C 
ATOM      6  C   LIG    1       -0.155   2.043  -0.053  0.00  0.00    +0.020 C 
ATOM      7  C   LIG    1        1.633   0.286  -0.146  0.00  0.00    +0.023 C 
ENDROOT
BRANCH   6   8
ATOM      8  C   LIG    1       -1.300   1.140   0.086  0.00  0.00    -0.021 A 
ATOM      9  C   LIG    1       -2.084   0.838  -1.034  0.00  0.00    +0.057 A 
ATOM     10  C   LIG    1       -3.146  -0.025  -0.861  0.00  0.00    +0.167 A 
ATOM     11  O   LIG    1       -4.008  -0.429  -1.833  0.00  0.00    -0.453 OA
ATOM     12  C   LIG    1       -4.883  -1.292  -1.078  0.00  0.00    +0.466 C 
ATOM     13  O   LIG    1       -4.523  -1.399   0.315  0.00  0.00    -0.453 OA
ATOM     14  C   LIG    1       -3.440  -0.578   0.363  0.00  0.00    +0.166 A 
ATOM     15  C   LIG    1       -2.690  -0.301   1.485  0.00  0.00    +0.050 A 
ATOM     16  C   LIG    1       -1.606   0.571   1.341  0.00  0.00    +0.012 A 
ENDBRANCH   6   8
BRANCH   1  18
ATOM     17  C   LIG    1        4.529  -1.323   0.989  0.00  0.00    +0.009 C 
ATOM     18  C   LIG    1        3.770  -1.056  -0.304  0.00  0.00    +0.039 C 
ENDBRANCH   1  18
TORSDOF 2