REMARK  Name = BDB033765
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.262   0.791  -0.760  0.00  0.00    +0.223 A 
ATOM      2  N   LIG    1        0.953   0.276  -1.006  0.00  0.00    -0.179 NA
ATOM      3  C   LIG    1        1.694   0.870  -1.968  0.00  0.00    +0.231 A 
ATOM      4  C   LIG    1        1.262   1.920  -2.731  0.00  0.00    +0.134 A 
ATOM      5  C   LIG    1        0.004   2.366  -2.419  0.00  0.00    +0.132 A 
ATOM      6  N   LIG    1       -0.761   1.826  -1.448  0.00  0.00    -0.222 NA
ENDROOT
BRANCH   4   7
ATOM      7  C   LIG    1        2.084   2.529  -3.801  0.00  0.00    +0.424 C 
ATOM      8  F   LIG    1        2.358   1.673  -4.823  0.00  0.00    -0.166 F 
ATOM      9  F   LIG    1        3.286   2.990  -3.357  0.00  0.00    -0.166 F 
ATOM     10  F   LIG    1        1.480   3.605  -4.384  0.00  0.00    -0.166 F 
ENDBRANCH   4   7
BRANCH   1  11
ATOM     11  N   LIG    1       -0.975   0.164   0.256  0.00  0.00    -0.284 N 
ATOM     12  H   LIG    1       -0.411  -0.568   0.662  0.00  0.00    +0.155 HD
BRANCH  11  16
ATOM     13  C   LIG    1       -4.711   0.728   2.127  0.00  0.00    +0.105 A 
ATOM     14  C   LIG    1       -4.311   1.621   1.134  0.00  0.00    +0.030 A 
ATOM     15  C   LIG    1       -3.073   1.447   0.504  0.00  0.00    +0.025 A 
ATOM     16  C   LIG    1       -2.215   0.400   0.861  0.00  0.00    +0.034 A 
ATOM     17  C   LIG    1       -2.642  -0.481   1.873  0.00  0.00    +0.025 A 
ATOM     18  C   LIG    1       -3.876  -0.320   2.510  0.00  0.00    +0.030 A 
BRANCH  13  19
ATOM     19  S   LIG    1       -6.278   0.959   2.930  0.00  0.00    +0.058 S 
ATOM     20  O   LIG    1       -6.527   2.380   3.012  0.00  0.00    -0.153 OA
ATOM     21  O   LIG    1       -6.319   0.106   4.097  0.00  0.00    -0.153 OA
BRANCH  19  23
ATOM     22  C   LIG    1       -7.263  -1.035   1.371  0.00  0.00    +0.127 C 
ATOM     23  N   LIG    1       -7.355   0.350   1.802  0.00  0.00    -0.193 NA
ATOM     24  H   LIG    1       -7.758   1.045   1.177  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        2.929   0.335  -2.260  0.00  0.00    -0.470 OA
BRANCH  25  26
ATOM     26  C   LIG    1        3.552  -0.411  -1.188  0.00  0.00    +0.206 C 
ATOM     27  C   LIG    1        3.320  -1.927  -1.403  0.00  0.00    +0.180 C 
ATOM     28  C   LIG    1        3.605  -2.781  -0.159  0.00  0.00    +0.194 C 
ATOM     29  O   LIG    1        4.590  -2.283   0.734  0.00  0.00    -0.377 OA
ATOM     30  C   LIG    1        5.846  -2.010   0.133  0.00  0.00    +0.160 C 
ATOM     31  C   LIG    1        5.937  -0.519  -0.146  0.00  0.00    +0.032 C 
ATOM     32  C   LIG    1        5.045  -0.044  -1.288  0.00  0.00    +0.049 C 
BRANCH  27  33
ATOM     33  O   LIG    1        1.982  -2.232  -1.828  0.00  0.00    -0.386 OA
ATOM     34  H   LIG    1        1.400  -1.543  -1.450  0.00  0.00    +0.210 HD
ENDBRANCH  27  33
ENDBRANCH  25  26
ENDBRANCH   3  25
TORSDOF 8