REMARK  Name = BDB001815
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.026  -0.535  -0.367  0.00  0.00    -0.263 N 
ATOM      2  H   LIG    1       -0.198  -0.357   0.610  0.00  0.00    +0.157 HD
ATOM      3  C   LIG    1       -1.167  -0.732  -1.145  0.00  0.00    +0.250 C 
ATOM      4  O   LIG    1       -1.202  -1.151  -2.294  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   3   5
ATOM      5  C   LIG    1       -2.451  -0.448  -0.448  0.00  0.00    +0.037 A 
ATOM      6  C   LIG    1       -2.582   0.622   0.448  0.00  0.00    +0.013 A 
ATOM      7  C   LIG    1       -3.805   0.850   1.083  0.00  0.00    +0.001 A 
ATOM      8  C   LIG    1       -4.896   0.021   0.820  0.00  0.00    +0.000 A 
ATOM      9  C   LIG    1       -4.774  -1.031  -0.087  0.00  0.00    +0.001 A 
ATOM     10  C   LIG    1       -3.555  -1.264  -0.725  0.00  0.00    +0.013 A 
ENDBRANCH   3   5
BRANCH   1  11
ATOM     11  C   LIG    1        1.328  -0.648  -0.700  0.00  0.00    +0.153 C 
ATOM     12  S   LIG    1        1.964  -1.074  -2.190  0.00  0.00    -0.017 S 
BRANCH  11  13
ATOM     13  N   LIG    1        2.127  -0.381   0.416  0.00  0.00    -0.246 N 
ATOM     14  H   LIG    1        1.759   0.211   1.163  0.00  0.00    +0.172 HD
BRANCH  13  17
ATOM     15  C   LIG    1        5.511   1.152   0.462  0.00  0.00    +0.110 C 
ATOM     16  C   LIG    1        4.087   0.883   0.861  0.00  0.00    +0.226 C 
ATOM     17  N   LIG    1        3.524  -0.225   0.259  0.00  0.00    -0.235 N 
ATOM     18  H   LIG    1        3.911  -0.594  -0.610  0.00  0.00    +0.173 HD
ATOM     19  O   LIG    1        3.469   1.590   1.655  0.00  0.00    -0.275 OA
ENDBRANCH  13  17
ENDBRANCH  11  13
ENDBRANCH   1  11
TORSDOF 4