REMARK  Name = BDB001199
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.271   0.297   0.005  0.00  0.00    +0.039 A 
ATOM      2  C   LIG    1        0.724   0.830  -0.825  0.00  0.00    +0.042 A 
ATOM      3  C   LIG    1        1.899   1.338  -0.260  0.00  0.00    +0.112 A 
ATOM      4  C   LIG    1        2.086   1.333   1.126  0.00  0.00    +0.029 A 
ATOM      5  C   LIG    1        1.103   0.784   1.948  0.00  0.00    +0.003 A 
ATOM      6  C   LIG    1       -0.068   0.261   1.392  0.00  0.00    +0.013 A 
ENDROOT
BRANCH   1   9
ATOM      7  N   LIG    1       -2.656  -0.138   0.130  0.00  0.00    -0.281 N 
ATOM      8  H   LIG    1       -2.584   0.377   1.008  0.00  0.00    +0.155 HD
ATOM      9  C   LIG    1       -1.508  -0.245  -0.631  0.00  0.00    +0.248 C 
ATOM     10  O   LIG    1       -1.421  -0.707  -1.762  0.00  0.00    -0.270 OA
BRANCH   7  15
ATOM     11  C   LIG    1       -7.992  -1.932  -1.069  0.00  0.00    +0.044 C 
ATOM     12  C   LIG    1       -6.606  -1.443  -0.771  0.00  0.00    -0.050 A 
ATOM     13  C   LIG    1       -6.332  -0.759   0.418  0.00  0.00    +0.020 A 
ATOM     14  C   LIG    1       -5.027  -0.324   0.718  0.00  0.00    +0.080 A 
ATOM     15  C   LIG    1       -3.967  -0.583  -0.183  0.00  0.00    +0.048 A 
ATOM     16  C   LIG    1       -4.253  -1.287  -1.358  0.00  0.00    +0.024 A 
ATOM     17  C   LIG    1       -5.554  -1.715  -1.647  0.00  0.00    +0.005 A 
BRANCH  14  18
ATOM     18  C   LIG    1       -4.770   0.401   1.994  0.00  0.00    +0.339 C 
ATOM     19  O   LIG    1       -3.679   0.780   2.386  0.00  0.00    -0.245 OA
BRANCH  18  20
ATOM     20  O   LIG    1       -5.880   0.622   2.721  0.00  0.00    -0.477 OA
ATOM     21  H   LIG    1       -5.566   1.107   3.513  0.00  0.00    +0.295 HD
ENDBRANCH  18  20
ENDBRANCH  14  18
ENDBRANCH   7  15
ENDBRANCH   1   9
BRANCH   3  22
ATOM     22  S   LIG    1        3.127   2.026  -1.332  0.00  0.00    +0.084 S 
ATOM     23  O   LIG    1        2.992   3.468  -1.228  0.00  0.00    -0.148 OA
ATOM     24  O   LIG    1        3.113   1.359  -2.617  0.00  0.00    -0.148 OA
BRANCH  22  25
ATOM     25  N   LIG    1        4.644   1.645  -0.640  0.00  0.00    -0.217 N 
ATOM     26  C   LIG    1        5.215   0.391  -0.465  0.00  0.00    +0.090 A 
ATOM     27  C   LIG    1        6.465   0.643   0.144  0.00  0.00    +0.003 A 
ATOM     28  C   LIG    1        7.329  -0.428   0.453  0.00  0.00    +0.010 A 
ATOM     29  C   LIG    1        6.949  -1.734   0.165  0.00  0.00    +0.002 A 
ATOM     30  C   LIG    1        5.716  -1.982  -0.420  0.00  0.00    +0.022 A 
ATOM     31  C   LIG    1        6.598   2.044   0.338  0.00  0.00    +0.029 A 
ATOM     32  C   LIG    1        4.830  -0.940  -0.742  0.00  0.00    +0.067 A 
ATOM     33 CL   LIG    1        3.331  -1.415  -1.429  0.00  0.00    -0.081 Cl
ATOM     34  C   LIG    1        5.460   2.635  -0.143  0.00  0.00    +0.113 A 
ENDBRANCH  22  25
ENDBRANCH   3  22
TORSDOF 6