REMARK  Name = LIG001946
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.276   0.512   0.501  0.00  0.00    +0.087 C 
ENDROOT
BRANCH   1   8
ATOM      2  O   LIG    1        5.724  -0.732   0.331  0.00  0.00    -0.275 OA
ATOM      3  C   LIG    1        4.552  -0.370   0.372  0.00  0.00    +0.219 C 
ATOM      4  N   LIG    1        3.656  -0.958   1.228  0.00  0.00    -0.256 N 
ATOM      5  H   LIG    1        4.013  -1.720   1.789  0.00  0.00    +0.157 HD
ATOM      6  C   LIG    1        2.336  -0.632   1.435  0.00  0.00    +0.223 C 
ATOM      7  O   LIG    1        1.680  -1.216   2.291  0.00  0.00    -0.275 OA
ATOM      8  C   LIG    1        1.806   0.545   0.632  0.00  0.00    +0.086 C 
ATOM      9  C   LIG    1        2.542   0.652  -0.706  0.00  0.00    +0.023 C 
ATOM     10  C   LIG    1        4.037   0.784  -0.453  0.00  0.00    +0.097 C 
ENDBRANCH   1   8
BRANCH   1  11
ATOM     11  S   LIG    1       -0.359  -0.835  -0.568  0.00  0.00    -0.122 S 
BRANCH  11  12
ATOM     12  C   LIG    1       -2.083  -0.372  -0.625  0.00  0.00    +0.038 A 
ATOM     13  C   LIG    1       -3.056  -0.783   0.293  0.00  0.00    +0.140 A 
ATOM     14  C   LIG    1       -4.399  -0.396   0.188  0.00  0.00    +0.034 A 
ATOM     15  C   LIG    1       -4.787   0.421  -0.872  0.00  0.00    +0.002 A 
ATOM     16  C   LIG    1       -3.840   0.836  -1.808  0.00  0.00    +0.001 A 
ATOM     17  C   LIG    1       -2.502   0.441  -1.688  0.00  0.00    +0.017 A 
BRANCH  13  18
ATOM     18  N   LIG    1       -2.704  -1.629   1.410  0.00  0.00    +0.058 N 
ATOM     19  O   LIG    1       -2.784  -2.852   1.237  0.00  0.00    -0.126 OA
ATOM     20  O   LIG    1       -2.411  -1.056   2.468  0.00  0.00    -0.126 OA
ENDBRANCH  13  18
ENDBRANCH  11  12
ENDBRANCH   1  11
TORSDOF 4