REMARK  Name = BDB030186
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.954  -0.921   0.877  0.00  0.00    -0.000 A 
ATOM      2  C   LIG    1        1.888  -1.762   1.262  0.00  0.00    +0.082 A 
ATOM      3 CL   LIG    1        1.951  -3.480   1.039  0.00  0.00    -0.080 Cl
ATOM      4  C   LIG    1        0.718  -1.232   1.820  0.00  0.00    +0.154 A 
ATOM      5  F   LIG    1       -0.279  -2.062   2.175  0.00  0.00    -0.203 F 
ATOM      6  C   LIG    1        0.572   0.138   1.987  0.00  0.00    +0.075 A 
ATOM      7  C   LIG    1        1.619   0.988   1.624  0.00  0.00    +0.026 A 
ATOM      8  C   LIG    1        2.799   0.474   1.059  0.00  0.00    +0.009 A 
ENDROOT
BRANCH   8   9
ATOM      9  C   LIG    1        3.826   1.418   0.661  0.00  0.00    +0.089 A 
ATOM     10  N   LIG    1        5.124   1.366   1.102  0.00  0.00    -0.236 NA
ATOM     11  C   LIG    1        5.728   2.376   0.515  0.00  0.00    +0.199 A 
ATOM     12  N   LIG    1        4.870   3.071  -0.287  0.00  0.00    -0.339 N 
ATOM     13  C   LIG    1        5.198   4.224  -1.084  0.00  0.00    +0.150 C 
ATOM     14  C   LIG    1        3.643   2.475  -0.203  0.00  0.00    +0.115 A 
ENDBRANCH   8   9
BRANCH   6  15
ATOM     15  C   LIG    1       -0.649   0.743   2.556  0.00  0.00    +0.262 C 
ATOM     16  N   LIG    1       -1.903   0.270   2.206  0.00  0.00    -0.228 N 
ATOM     17  H   LIG    1       -2.655   0.896   2.490  0.00  0.00    +0.171 HD
ATOM     18  O   LIG    1       -0.536   1.685   3.337  0.00  0.00    -0.269 OA
BRANCH  16  19
ATOM     19  N   LIG    1       -2.161  -0.486   0.907  0.00  0.00    -0.112 NA
ATOM     20  H   LIG    1       -1.716  -1.412   0.882  0.00  0.00    +0.171 HD
BRANCH  19  21
ATOM     21  S   LIG    1       -1.909   0.374  -0.536  0.00  0.00    +0.045 S 
ATOM     22  O   LIG    1       -0.605  -0.040  -1.012  0.00  0.00    -0.157 OA
ATOM     23  O   LIG    1       -2.194   1.769  -0.283  0.00  0.00    -0.157 OA
BRANCH  21  24
ATOM     24  C   LIG    1       -3.145  -0.301  -1.641  0.00  0.00    +0.190 C 
BRANCH  24  25
ATOM     25  C   LIG    1       -4.597  -0.383  -1.148  0.00  0.00    +0.012 C 
ATOM     26  C   LIG    1       -4.885  -1.668  -0.344  0.00  0.00    +0.005 C 
ATOM     27  C   LIG    1       -6.040  -1.521   0.649  0.00  0.00    +0.000 C 
ATOM     28  C   LIG    1       -7.134  -0.614   0.105  0.00  0.00    +0.000 C 
ATOM     29  C   LIG    1       -6.622   0.799  -0.181  0.00  0.00    +0.000 C 
ATOM     30  C   LIG    1       -5.113   0.869  -0.433  0.00  0.00    +0.005 C 
ENDBRANCH  24  25
ENDBRANCH  21  24
ENDBRANCH  19  21
ENDBRANCH  16  19
ENDBRANCH   6  15
BRANCH   1  31
ATOM     31  C   LIG    1        4.190  -1.486   0.216  0.00  0.00    +0.141 C 
BRANCH  31  34
ATOM     32  C   LIG    1        5.956  -2.979  -1.596  0.00  0.00    +0.109 C 
ATOM     33  C   LIG    1        4.965  -1.974  -2.116  0.00  0.00    +0.210 C 
ATOM     34  N   LIG    1        4.081  -1.433  -1.228  0.00  0.00    -0.311 N 
ATOM     35  H   LIG    1        3.524  -0.690  -1.636  0.00  0.00    +0.149 HD
ATOM     36  O   LIG    1        4.926  -1.646  -3.300  0.00  0.00    -0.276 OA
ENDBRANCH  31  34
ENDBRANCH   1  31
TORSDOF 8