REMARK  Name = BDB030298
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.123  -0.488  -0.390  0.00  0.00    +0.039 A 
ATOM      2  C   LIG    1        0.606  -0.306   0.791  0.00  0.00    +0.039 A 
ATOM      3  C   LIG    1        1.990  -0.126   0.724  0.00  0.00    +0.051 A 
ATOM      4  N   LIG    1        2.715   0.056   1.921  0.00  0.00    -0.322 N 
ATOM      5  H   LIG    1        2.240   0.049   2.813  0.00  0.00    +0.169 HD
ATOM      6  C   LIG    1        4.083   0.243   1.993  0.00  0.00    +0.257 A 
ATOM      7  C   LIG    1        4.795   0.249   0.720  0.00  0.00    +0.054 A 
ATOM      8  C   LIG    1        4.110   0.071  -0.468  0.00  0.00    +0.034 A 
ATOM      9  S   LIG    1        5.144   0.117  -1.819  0.00  0.00    -0.096 S 
ATOM     10  C   LIG    1        6.521   0.373  -0.835  0.00  0.00    +0.046 A 
ATOM     11  C   LIG    1        6.196   0.424   0.503  0.00  0.00    +0.021 A 
ATOM     12  O   LIG    1        4.643   0.395   3.074  0.00  0.00    -0.267 OA
ATOM     13  C   LIG    1        2.661  -0.130  -0.519  0.00  0.00    +0.013 A 
ATOM     14  C   LIG    1        1.925  -0.329  -1.690  0.00  0.00    +0.012 A 
ATOM     15  C   LIG    1        0.540  -0.513  -1.624  0.00  0.00    +0.014 A 
ENDROOT
BRANCH   1  18
ATOM     16  N   LIG    1       -2.292  -0.078   0.644  0.00  0.00    -0.309 N 
ATOM     17  H   LIG    1       -1.837   0.628   1.206  0.00  0.00    +0.149 HD
ATOM     18  C   LIG    1       -1.597  -0.691  -0.378  0.00  0.00    +0.244 C 
ATOM     19  O   LIG    1       -2.137  -1.344  -1.262  0.00  0.00    -0.270 OA
BRANCH  16  20
ATOM     20  C   LIG    1       -3.741  -0.151   0.703  0.00  0.00    +0.132 C 
BRANCH  20  21
ATOM     21  C   LIG    1       -4.429   0.763  -0.316  0.00  0.00    +0.178 C 
BRANCH  21  23
ATOM     22  C   LIG    1       -6.536  -0.281  -0.641  0.00  0.00    +0.194 C 
ATOM     23  O   LIG    1       -5.840   0.833  -0.095  0.00  0.00    -0.381 OA
ENDBRANCH  21  23
ENDBRANCH  20  21
ENDBRANCH  16  20
ENDBRANCH   1  18
TORSDOF 4