REMARK  Name = BDB030159
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.456  -0.244  -1.826  0.00  0.00    +0.021 A 
ATOM      2  C   LIG    1        0.421  -0.525  -2.741  0.00  0.00    +0.082 A 
ATOM      3  C   LIG    1       -0.214  -1.778  -2.695  0.00  0.00    +0.095 A 
ATOM      4 CL   LIG    1       -1.489  -2.193  -3.792  0.00  0.00    -0.079 Cl
ATOM      5  C   LIG    1        0.161  -2.728  -1.740  0.00  0.00    +0.155 A 
ATOM      6  F   LIG    1       -0.445  -3.926  -1.724  0.00  0.00    -0.203 F 
ATOM      7  C   LIG    1        1.159  -2.440  -0.814  0.00  0.00    +0.075 A 
ATOM      8  C   LIG    1        1.816  -1.209  -0.868  0.00  0.00    +0.027 A 
ENDROOT
BRANCH   1  12
ATOM      9  C   LIG    1        3.919   3.906  -2.968  0.00  0.00    +0.150 C 
ATOM     10  N   LIG    1        3.246   2.839  -2.273  0.00  0.00    -0.339 N 
ATOM     11  C   LIG    1        2.707   1.714  -2.831  0.00  0.00    +0.115 A 
ATOM     12  C   LIG    1        2.154   1.027  -1.773  0.00  0.00    +0.090 A 
ATOM     13  N   LIG    1        2.385   1.689  -0.592  0.00  0.00    -0.236 NA
ATOM     14  C   LIG    1        3.037   2.780  -0.926  0.00  0.00    +0.199 A 
ENDBRANCH   1  12
BRANCH   7  15
ATOM     15  C   LIG    1        1.558  -3.410   0.224  0.00  0.00    +0.262 C 
ATOM     16  N   LIG    1        0.569  -4.054   0.941  0.00  0.00    -0.228 N 
ATOM     17  H   LIG    1        0.910  -4.544   1.774  0.00  0.00    +0.171 HD
ATOM     18  O   LIG    1        2.750  -3.596   0.445  0.00  0.00    -0.269 OA
BRANCH  16  19
ATOM     19  N   LIG    1       -0.778  -3.374   1.122  0.00  0.00    -0.112 NA
ATOM     20  H   LIG    1       -1.569  -3.854   0.671  0.00  0.00    +0.171 HD
BRANCH  19  21
ATOM     21  S   LIG    1       -1.187  -2.965   2.726  0.00  0.00    +0.045 S 
ATOM     22  O   LIG    1       -0.238  -3.644   3.582  0.00  0.00    -0.157 OA
ATOM     23  O   LIG    1       -2.608  -3.196   2.844  0.00  0.00    -0.157 OA
BRANCH  21  24
ATOM     24  C   LIG    1       -0.840  -1.205   2.752  0.00  0.00    +0.190 C 
BRANCH  24  25
ATOM     25  C   LIG    1       -1.550  -0.392   1.661  0.00  0.00    +0.012 C 
ATOM     26  C   LIG    1       -3.040  -0.138   1.974  0.00  0.00    +0.005 C 
ATOM     27  C   LIG    1       -3.349   1.319   2.303  0.00  0.00    +0.000 C 
ATOM     28  C   LIG    1       -2.911   2.267   1.188  0.00  0.00    +0.000 C 
ATOM     29  C   LIG    1       -1.582   1.872   0.544  0.00  0.00    +0.000 C 
ATOM     30  C   LIG    1       -0.781   0.922   1.423  0.00  0.00    +0.005 C 
ENDBRANCH  24  25
ENDBRANCH  21  24
ENDBRANCH  19  21
ENDBRANCH  16  19
ENDBRANCH   7  15
BRANCH   2  31
ATOM     31  C   LIG    1       -0.009   0.460  -3.694  0.00  0.00    +0.101 C 
ATOM     32  N   LIG    1       -0.342   1.257  -4.470  0.00  0.00    -0.191 NA
ENDBRANCH   2  31
TORSDOF 7