REMARK  Name = BDB033766
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.381   1.738  -2.269  0.00  0.00    +0.223 A 
ATOM      2  N   LIG    1        0.209   1.752  -1.063  0.00  0.00    -0.179 NA
ATOM      3  C   LIG    1        1.011   2.803  -0.788  0.00  0.00    +0.231 A 
ATOM      4  C   LIG    1        1.192   3.877  -1.619  0.00  0.00    +0.134 A 
ATOM      5  C   LIG    1        0.536   3.782  -2.819  0.00  0.00    +0.132 A 
ATOM      6  N   LIG    1       -0.237   2.731  -3.163  0.00  0.00    -0.222 NA
ENDROOT
BRANCH   4   7
ATOM      7  C   LIG    1        2.048   5.030  -1.266  0.00  0.00    +0.424 C 
ATOM      8  F   LIG    1        2.077   5.990  -2.237  0.00  0.00    -0.166 F 
ATOM      9  F   LIG    1        3.348   4.685  -1.070  0.00  0.00    -0.166 F 
ATOM     10  F   LIG    1        1.650   5.674  -0.139  0.00  0.00    -0.166 F 
ENDBRANCH   4   7
BRANCH   1  11
ATOM     11  N   LIG    1       -1.168   0.678  -2.712  0.00  0.00    -0.284 N 
ATOM     12  H   LIG    1       -1.446   0.870  -3.666  0.00  0.00    +0.155 HD
BRANCH  11  16
ATOM     13  C   LIG    1       -2.238  -3.137  -1.273  0.00  0.00    +0.105 A 
ATOM     14  C   LIG    1       -1.659  -2.222  -0.399  0.00  0.00    +0.030 A 
ATOM     15  C   LIG    1       -1.292  -0.955  -0.867  0.00  0.00    +0.025 A 
ATOM     16  C   LIG    1       -1.509  -0.576  -2.195  0.00  0.00    +0.034 A 
ATOM     17  C   LIG    1       -2.082  -1.524  -3.060  0.00  0.00    +0.025 A 
ATOM     18  C   LIG    1       -2.428  -2.804  -2.613  0.00  0.00    +0.030 A 
BRANCH  13  19
ATOM     19  S   LIG    1       -2.682  -4.762  -0.694  0.00  0.00    +0.058 S 
ATOM     20  O   LIG    1       -1.866  -5.065   0.460  0.00  0.00    -0.153 OA
ATOM     21  O   LIG    1       -2.737  -5.643  -1.837  0.00  0.00    -0.153 OA
BRANCH  19  23
ATOM     22  C   LIG    1       -5.303  -4.082  -0.981  0.00  0.00    +0.127 C 
ATOM     23  N   LIG    1       -4.234  -4.539  -0.114  0.00  0.00    -0.193 NA
ATOM     24  H   LIG    1       -4.319  -4.434   0.896  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        1.614   2.842   0.448  0.00  0.00    -0.470 OA
BRANCH  25  26
ATOM     26  C   LIG    1        1.988   1.550   0.984  0.00  0.00    +0.206 C 
ATOM     27  C   LIG    1        1.038   1.201   2.155  0.00  0.00    +0.180 C 
ATOM     28  C   LIG    1        1.088  -0.274   2.573  0.00  0.00    +0.194 C 
ATOM     29  O   LIG    1        2.311  -0.958   2.325  0.00  0.00    -0.377 OA
ATOM     30  C   LIG    1        3.452  -0.363   2.925  0.00  0.00    +0.160 C 
ATOM     31  C   LIG    1        4.183   0.460   1.874  0.00  0.00    +0.032 C 
ATOM     32  C   LIG    1        3.445   1.728   1.455  0.00  0.00    +0.049 C 
BRANCH  27  33
ATOM     33  O   LIG    1       -0.332   1.523   1.865  0.00  0.00    -0.386 OA
ATOM     34  H   LIG    1       -0.398   1.649   0.899  0.00  0.00    +0.210 HD
ENDBRANCH  27  33
ENDBRANCH  25  26
ENDBRANCH   3  25
TORSDOF 8