REMARK  Name = BDB033778
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.139  -0.757  -0.496  0.00  0.00    +0.223 A 
ATOM      2  N   LIG    1       -1.402  -0.405  -0.214  0.00  0.00    -0.179 NA
ATOM      3  C   LIG    1       -2.353  -1.350  -0.321  0.00  0.00    +0.232 A 
ATOM      4  C   LIG    1       -2.105  -2.641  -0.707  0.00  0.00    +0.134 A 
ATOM      5  C   LIG    1       -0.789  -2.912  -0.977  0.00  0.00    +0.132 A 
ATOM      6  N   LIG    1        0.195  -1.997  -0.877  0.00  0.00    -0.222 NA
ENDROOT
BRANCH   4   7
ATOM      7  C   LIG    1       -3.173  -3.659  -0.825  0.00  0.00    +0.424 C 
ATOM      8  F   LIG    1       -2.693  -4.906  -1.097  0.00  0.00    -0.166 F 
ATOM      9  F   LIG    1       -4.060  -3.386  -1.820  0.00  0.00    -0.166 F 
ATOM     10  F   LIG    1       -3.910  -3.795   0.313  0.00  0.00    -0.166 F 
ENDBRANCH   4   7
BRANCH   1  11
ATOM     11  N   LIG    1        0.799   0.260  -0.364  0.00  0.00    -0.284 N 
ATOM     12  H   LIG    1        0.330   1.107  -0.075  0.00  0.00    +0.155 HD
BRANCH  11  16
ATOM     13  C   LIG    1        4.958   0.648  -0.936  0.00  0.00    +0.105 A 
ATOM     14  C   LIG    1        4.197   1.732  -0.503  0.00  0.00    +0.030 A 
ATOM     15  C   LIG    1        2.819   1.573  -0.322  0.00  0.00    +0.025 A 
ATOM     16  C   LIG    1        2.180   0.345  -0.575  0.00  0.00    +0.034 A 
ATOM     17  C   LIG    1        2.970  -0.723  -1.017  0.00  0.00    +0.025 A 
ATOM     18  C   LIG    1        4.350  -0.578  -1.203  0.00  0.00    +0.030 A 
BRANCH  13  19
ATOM     19  S   LIG    1        6.703   0.828  -1.189  0.00  0.00    +0.058 S 
ATOM     20  O   LIG    1        7.053   0.088  -2.381  0.00  0.00    -0.153 OA
ATOM     21  O   LIG    1        7.064   2.218  -1.019  0.00  0.00    -0.153 OA
BRANCH  19  23
ATOM     22  C   LIG    1        7.455   0.623   1.396  0.00  0.00    +0.127 C 
ATOM     23  N   LIG    1        7.336  -0.036   0.103  0.00  0.00    -0.193 NA
ATOM     24  H   LIG    1        8.057  -0.699  -0.178  0.00  0.00    +0.148 HD
ENDBRANCH  19  23
ENDBRANCH  13  19
ENDBRANCH  11  16
ENDBRANCH   1  11
BRANCH   3  25
ATOM     25  O   LIG    1       -3.664  -1.008  -0.063  0.00  0.00    -0.468 OA
BRANCH  25  26
ATOM     26  C   LIG    1       -3.856   0.272   0.564  0.00  0.00    +0.229 C 
ATOM     27  C   LIG    1       -5.198   0.206   1.313  0.00  0.00    +0.159 C 
ATOM     28  C   LIG    1       -5.579   1.572   1.869  0.00  0.00    +0.063 C 
ATOM     29  C   LIG    1       -5.550   2.617   0.766  0.00  0.00    +0.162 C 
ATOM     30  O   LIG    1       -4.271   2.648   0.134  0.00  0.00    -0.376 OA
ATOM     31  C   LIG    1       -3.933   1.399  -0.473  0.00  0.00    +0.207 C 
BRANCH  27  32
ATOM     32  O   LIG    1       -5.125  -0.727   2.394  0.00  0.00    -0.388 OA
ATOM     33  H   LIG    1       -4.861  -1.584   2.011  0.00  0.00    +0.210 HD
ENDBRANCH  27  32
ENDBRANCH  25  26
ENDBRANCH   3  25
TORSDOF 8