REMARK  Name = BDB033463
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.445  -0.064  -3.874  0.00  0.00    +0.044 C 
ATOM      2  C   LIG    1       -1.368   0.437  -2.455  0.00  0.00    -0.040 A 
ATOM      3  C   LIG    1       -1.360  -0.425  -1.325  0.00  0.00    +0.022 A 
ATOM      4  C   LIG    1       -1.282   0.140  -0.047  0.00  0.00    +0.071 A 
ATOM      5  N   LIG    1       -1.323  -0.893   0.865  0.00  0.00    -0.358 N 
ATOM      6  H   LIG    1       -1.309  -0.761   1.868  0.00  0.00    +0.165 HD
ATOM      7  C   LIG    1       -1.378  -2.096   0.218  0.00  0.00    +0.102 A 
ATOM      8  C   LIG    1       -1.204   1.519   0.170  0.00  0.00    +0.072 A 
ATOM      9  C   LIG    1       -1.214   2.358  -0.942  0.00  0.00    +0.027 A 
ATOM     10  C   LIG    1       -1.408  -1.843  -1.136  0.00  0.00    +0.077 A 
ATOM     11  C   LIG    1       -1.297   1.828  -2.228  0.00  0.00    +0.006 A 
ENDROOT
BRANCH   8  12
ATOM     12  N   LIG    1       -1.043   2.034   1.496  0.00  0.00    -0.214 N 
ATOM     13  H   LIG    1       -1.625   2.858   1.662  0.00  0.00    +0.174 HD
BRANCH  12  14
ATOM     14  S   LIG    1        0.551   2.485   1.915  0.00  0.00    +0.080 S 
ATOM     15  O   LIG    1        0.523   2.855   3.313  0.00  0.00    -0.149 OA
ATOM     16  O   LIG    1        1.042   3.407   0.914  0.00  0.00    -0.149 OA
BRANCH  14  17
ATOM     17  C   LIG    1        1.591   1.071   1.794  0.00  0.00    +0.165 A 
ATOM     18  S   LIG    1        1.421  -0.153   2.975  0.00  0.00    -0.047 S 
ATOM     19  C   LIG    1        2.632  -1.086   2.177  0.00  0.00    +0.145 A 
ATOM     20  N   LIG    1        3.150  -0.524   1.099  0.00  0.00    -0.245 NA
ATOM     21  C   LIG    1        2.558   0.707   0.884  0.00  0.00    +0.148 A 
BRANCH  19  22
ATOM     22  C   LIG    1        3.004  -2.435   2.715  0.00  0.00    +0.396 C 
ATOM     23  F   LIG    1        1.934  -3.280   2.712  0.00  0.00    -0.202 F 
ATOM     24  F   LIG    1        3.427  -2.364   4.008  0.00  0.00    -0.202 F 
ENDBRANCH  19  22
ENDBRANCH  14  17
ENDBRANCH  12  14
ENDBRANCH   8  12
BRANCH  10  25
ATOM     25  C   LIG    1       -1.478  -2.857  -2.142  0.00  0.00    +0.101 C 
ATOM     26  N   LIG    1       -1.536  -3.680  -2.959  0.00  0.00    -0.191 NA
ENDBRANCH  10  25
TORSDOF 5