REMARK  Name = BDB028831
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  S   LIG    1       -0.042  -0.950  -0.049  0.00  0.00    -0.092 S 
ENDROOT
BRANCH   1   8
ATOM      2  O   LIG    1       -4.817  -0.936   1.259  0.00  0.00    -0.275 OA
ATOM      3  C   LIG    1       -3.792  -0.633   0.655  0.00  0.00    +0.219 C 
ATOM      4  N   LIG    1       -3.473  -1.232  -0.537  0.00  0.00    -0.255 N 
ATOM      5  H   LIG    1       -4.146  -1.898  -0.888  0.00  0.00    +0.158 HD
ATOM      6  C   LIG    1       -2.415  -0.956  -1.371  0.00  0.00    +0.233 C 
ATOM      7  O   LIG    1       -2.331  -1.512  -2.465  0.00  0.00    -0.274 OA
ATOM      8  C   LIG    1       -1.369   0.027  -0.862  0.00  0.00    +0.139 C 
ATOM      9  C   LIG    1       -2.028   1.044   0.071  0.00  0.00    +0.033 C 
ATOM     10  C   LIG    1       -2.807   0.373   1.194  0.00  0.00    +0.098 C 
ENDBRANCH   1   8
BRANCH   1  11
ATOM     11  C   LIG    1        1.383   0.091  -0.339  0.00  0.00    +0.112 A 
ATOM     12  C   LIG    1        2.692  -0.385  -0.267  0.00  0.00    +0.091 A 
ATOM     13  C   LIG    1        3.755   0.519  -0.390  0.00  0.00    +0.019 A 
ATOM     14  C   LIG    1        3.486   1.864  -0.608  0.00  0.00    +0.021 A 
ATOM     15  C   LIG    1        2.162   2.256  -0.683  0.00  0.00    +0.112 A 
ATOM     16  N   LIG    1        1.117   1.408  -0.547  0.00  0.00    -0.248 NA
BRANCH  12  17
ATOM     17  C   LIG    1        3.034  -1.792  -0.039  0.00  0.00    +0.339 C 
ATOM     18  O   LIG    1        3.779  -2.207   0.828  0.00  0.00    -0.245 OA
BRANCH  17  19
ATOM     19  O   LIG    1        2.523  -2.586  -0.994  0.00  0.00    -0.477 OA
ATOM     20  H   LIG    1        2.830  -3.488  -0.766  0.00  0.00    +0.295 HD
ENDBRANCH  17  19
ENDBRANCH  12  17
ENDBRANCH   1  11
TORSDOF 4