REMARK  Name = BDB030287
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.701  -0.384  -0.631  0.00  0.00    +0.039 A 
ATOM      2  C   LIG    1        0.086   0.142   0.514  0.00  0.00    +0.039 A 
ATOM      3  C   LIG    1       -1.307   0.283   0.559  0.00  0.00    +0.051 A 
ATOM      4  N   LIG    1       -1.901   0.816   1.724  0.00  0.00    -0.322 N 
ATOM      5  H   LIG    1       -1.332   1.091   2.513  0.00  0.00    +0.169 HD
ATOM      6  C   LIG    1       -3.260   1.007   1.900  0.00  0.00    +0.257 A 
ATOM      7  C   LIG    1       -4.109   0.619   0.781  0.00  0.00    +0.054 A 
ATOM      8  C   LIG    1       -3.554   0.095  -0.372  0.00  0.00    +0.034 A 
ATOM      9  S   LIG    1       -4.734  -0.284  -1.539  0.00  0.00    -0.096 S 
ATOM     10  C   LIG    1       -6.002   0.248  -0.520  0.00  0.00    +0.046 A 
ATOM     11  C   LIG    1       -5.533   0.707   0.691  0.00  0.00    +0.021 A 
ATOM     12  O   LIG    1       -3.700   1.476   2.945  0.00  0.00    -0.267 OA
ATOM     13  C   LIG    1       -2.113  -0.098  -0.534  0.00  0.00    +0.013 A 
ATOM     14  C   LIG    1       -1.502  -0.621  -1.673  0.00  0.00    +0.012 A 
ATOM     15  C   LIG    1       -0.110  -0.761  -1.718  0.00  0.00    +0.014 A 
ENDROOT
BRANCH   1  17
ATOM     16  O   LIG    1        2.593  -1.047  -1.837  0.00  0.00    -0.270 OA
ATOM     17  C   LIG    1        2.187  -0.576  -0.780  0.00  0.00    +0.250 C 
ATOM     18  N   LIG    1        2.969  -0.203   0.289  0.00  0.00    -0.261 N 
ATOM     19  H   LIG    1        2.575   0.179   1.131  0.00  0.00    +0.157 HD
BRANCH  18  20
ATOM     20  C   LIG    1        4.336  -0.283   0.384  0.00  0.00    +0.165 A 
ATOM     21  S   LIG    1        5.340  -0.882  -0.855  0.00  0.00    -0.061 S 
ATOM     22  C   LIG    1        6.713  -0.597   0.128  0.00  0.00    +0.068 A 
ATOM     23  C   LIG    1        6.310  -0.064   1.333  0.00  0.00    +0.120 A 
ATOM     24  N   LIG    1        4.947   0.115   1.477  0.00  0.00    -0.233 NA
ENDBRANCH  18  20
ENDBRANCH   1  17
TORSDOF 2