REMARK  Name = BDB046924
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -3.984  -0.524  -0.361  0.00  0.00    -0.267 OA
ATOM      2  C   LIG    1       -2.929   0.076  -0.197  0.00  0.00    +0.259 A 
ATOM      3  C   LIG    1       -1.627  -0.616  -0.207  0.00  0.00    +0.068 A 
ATOM      4  C   LIG    1       -0.471   0.150  -0.011  0.00  0.00    +0.105 A 
ATOM      5  C   LIG    1        0.743  -0.556  -0.030  0.00  0.00    +0.116 A 
ATOM      6  N   LIG    1        0.804  -1.913  -0.227  0.00  0.00    -0.251 NA
ATOM      7  C   LIG    1       -0.346  -2.592  -0.410  0.00  0.00    +0.112 A 
ATOM      8  N   LIG    1       -0.559   1.547   0.190  0.00  0.00    -0.235 NA
ATOM      9  C   LIG    1       -1.717   2.103   0.191  0.00  0.00    +0.199 A 
ATOM     10  C   LIG    1       -1.583  -1.994  -0.408  0.00  0.00    +0.035 A 
ATOM     11  N   LIG    1       -2.885   1.428   0.007  0.00  0.00    -0.313 N 
ATOM     12  H   LIG    1       -3.771   1.913   0.017  0.00  0.00    +0.170 HD
ENDROOT
BRANCH   5  13
ATOM     13  C   LIG    1        2.057   0.083   0.158  0.00  0.00    +0.098 A 
ATOM     14  N   LIG    1        2.237   1.446   0.373  0.00  0.00    -0.246 NA
ATOM     15  C   LIG    1        3.514   1.720   0.505  0.00  0.00    +0.156 A 
ATOM     16  S   LIG    1        4.588   0.394   0.384  0.00  0.00    -0.083 S 
ATOM     17  C   LIG    1        3.242  -0.638   0.135  0.00  0.00    +0.076 A 
ENDBRANCH   5  13
TORSDOF 1