REMARK  Name = BDB032859
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.052  -0.382   0.462  0.00  0.00    +0.251 C 
ATOM      2  N   LIG    1        1.074  -1.113   0.151  0.00  0.00    -0.261 N 
ATOM      3  H   LIG    1        1.007  -2.047  -0.224  0.00  0.00    +0.157 HD
ATOM      4  O   LIG    1       -0.090   0.804   0.773  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   1   6
ATOM      5  C   LIG    1       -2.515  -0.449  -0.100  0.00  0.00    +0.046 A 
ATOM      6  C   LIG    1       -1.347  -1.123   0.331  0.00  0.00    +0.058 A 
ATOM      7  C   LIG    1       -1.397  -2.496   0.637  0.00  0.00    +0.015 A 
ATOM      8  C   LIG    1       -2.582  -3.210   0.475  0.00  0.00    +0.001 A 
ATOM      9  C   LIG    1       -3.722  -2.561   0.016  0.00  0.00    +0.002 A 
ATOM     10  C   LIG    1       -3.691  -1.191  -0.265  0.00  0.00    +0.024 A 
BRANCH   5  13
ATOM     11  C   LIG    1       -3.025   3.222  -0.853  0.00  0.00    +0.109 C 
ATOM     12  C   LIG    1       -3.455   1.777  -0.816  0.00  0.00    +0.214 C 
ATOM     13  N   LIG    1       -2.464   0.948  -0.333  0.00  0.00    -0.285 N 
ATOM     14  H   LIG    1       -1.585   1.393  -0.058  0.00  0.00    +0.155 HD
ATOM     15  O   LIG    1       -4.563   1.441  -1.220  0.00  0.00    -0.276 OA
ENDBRANCH   5  13
ENDBRANCH   1   6
BRANCH   2  16
ATOM     16  C   LIG    1        2.332  -0.581   0.223  0.00  0.00    +0.167 A 
ATOM     17  S   LIG    1        3.562  -1.645  -0.289  0.00  0.00    -0.029 S 
ATOM     18  C   LIG    1        4.716  -0.433   0.049  0.00  0.00    +0.169 A 
ATOM     19  C   LIG    1        4.096   0.704   0.532  0.00  0.00    +0.076 A 
ATOM     20  C   LIG    1        4.738   1.980   0.944  0.00  0.00    +0.068 C 
ATOM     21  N   LIG    1        2.713   0.602   0.629  0.00  0.00    -0.228 NA
BRANCH  18  22
ATOM     22  N   LIG    1        6.173  -0.551  -0.136  0.00  0.00    -0.022 NA
ATOM     23  O   LIG    1        6.561  -1.641  -0.573  0.00  0.00    -0.143 OA
ENDBRANCH  18  22
ENDBRANCH   2  16
TORSDOF 4