REMARK  Name = BDB046932
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.114   0.194   0.301  0.00  0.00    +0.090 A 
ATOM      2  N   LIG    1       -0.128   0.723   1.550  0.00  0.00    -0.253 NA
ATOM      3  C   LIG    1        1.053   0.903   2.176  0.00  0.00    +0.112 A 
ATOM      4  C   LIG    1        2.273   0.585   1.615  0.00  0.00    +0.035 A 
ATOM      5  C   LIG    1        2.273   0.043   0.331  0.00  0.00    +0.062 A 
ATOM      6  C   LIG    1        1.065  -0.159  -0.341  0.00  0.00    +0.045 A 
ENDROOT
BRANCH   1  10
ATOM      7  C   LIG    1       -3.583  -0.451  -0.387  0.00  0.00    +0.156 A 
ATOM      8  S   LIG    1       -3.298  -0.098  -2.042  0.00  0.00    -0.060 S 
ATOM      9  C   LIG    1       -1.647   0.194  -1.685  0.00  0.00    +0.078 A 
ATOM     10  C   LIG    1       -1.417   0.011  -0.333  0.00  0.00    +0.098 A 
ATOM     11  N   LIG    1       -2.541  -0.354   0.397  0.00  0.00    -0.224 NA
BRANCH   7  12
ATOM     12  N   LIG    1       -4.806  -0.783   0.059  0.00  0.00    -0.338 N 
ATOM     13  H   LIG    1       -5.596  -0.440  -0.473  0.00  0.00    +0.144 HD
ATOM     14  H   LIG    1       -4.920  -0.678   1.062  0.00  0.00    +0.144 HD
ENDBRANCH   7  12
ENDBRANCH   1  10
BRANCH   5  15
ATOM     15  C   LIG    1        3.526  -0.333  -0.361  0.00  0.00    +0.337 C 
ATOM     16  O   LIG    1        3.603  -0.783  -1.488  0.00  0.00    -0.245 OA
BRANCH  15  17
ATOM     17  O   LIG    1        4.619  -0.126   0.392  0.00  0.00    -0.477 OA
ATOM     18  H   LIG    1        5.362  -0.418  -0.179  0.00  0.00    +0.295 HD
ENDBRANCH  15  17
ENDBRANCH   5  15
TORSDOF 4