REMARK  Name = BDB003188
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.698   0.605   0.374  0.00  0.00    +0.064 A 
ATOM      2  C   LIG    1        0.455   1.369   0.548  0.00  0.00    +0.029 A 
ATOM      3  C   LIG    1        1.702   0.870   0.156  0.00  0.00    +0.025 A 
ATOM      4  C   LIG    1        1.824  -0.401  -0.415  0.00  0.00    +0.031 A 
ATOM      5  C   LIG    1        0.660  -1.169  -0.566  0.00  0.00    +0.025 A 
ATOM      6  C   LIG    1       -0.588  -0.673  -0.173  0.00  0.00    +0.029 A 
ENDROOT
BRANCH   1   8
ATOM      7  C   LIG    1       -2.629   1.704  -0.140  0.00  0.00    +0.092 C 
ATOM      8  N   LIG    1       -1.945   1.100   0.777  0.00  0.00    -0.259 NA
BRANCH   7   9
ATOM      9  C   LIG    1       -3.987   2.251   0.171  0.00  0.00    +0.127 C 
BRANCH   9  11
ATOM     10  O   LIG    1       -5.487   2.012  -1.638  0.00  0.00    -0.291 OA
ATOM     11  C   LIG    1       -5.063   1.516  -0.590  0.00  0.00    +0.175 C 
BRANCH  11  12
ATOM     12  C   LIG    1       -5.518   0.236  -0.054  0.00  0.00    +0.055 A 
ATOM     13  S   LIG    1       -6.784  -0.604  -0.857  0.00  0.00    -0.094 S 
ATOM     14  C   LIG    1       -6.746  -1.888   0.268  0.00  0.00    +0.046 A 
ATOM     15  C   LIG    1       -5.791  -1.695   1.238  0.00  0.00    +0.008 A 
ATOM     16  C   LIG    1       -5.082  -0.471   1.054  0.00  0.00    +0.019 A 
ENDBRANCH  11  12
ENDBRANCH   9  11
ENDBRANCH   7   9
ENDBRANCH   1   8
BRANCH   4  17
ATOM     17  N   LIG    1        3.058  -0.956  -0.790  0.00  0.00    -0.314 N 
ATOM     18  H   LIG    1        2.992  -1.670  -1.507  0.00  0.00    +0.152 HD
BRANCH  17  19
ATOM     19  C   LIG    1        4.371  -0.723  -0.343  0.00  0.00    +0.031 A 
ATOM     20  C   LIG    1        5.438  -0.962  -1.222  0.00  0.00    +0.023 A 
ATOM     21  C   LIG    1        6.759  -0.710  -0.840  0.00  0.00    +0.002 A 
ATOM     22  C   LIG    1        7.032  -0.207   0.429  0.00  0.00    +0.000 A 
ATOM     23  C   LIG    1        5.985   0.041   1.313  0.00  0.00    +0.002 A 
ATOM     24  C   LIG    1        4.666  -0.211   0.925  0.00  0.00    +0.023 A 
ENDBRANCH  17  19
ENDBRANCH   4  17
TORSDOF 6