REMARK  Name = BDB009379
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.297   1.472   0.209  0.00  0.00    +0.072 A 
ATOM      2  C   LIG    1       -0.502   2.836   0.038  0.00  0.00    +0.135 A 
ATOM      3  F   LIG    1        0.168   3.732   0.777  0.00  0.00    -0.205 F 
ATOM      4  C   LIG    1       -1.396   3.293  -0.924  0.00  0.00    +0.039 A 
ATOM      5  C   LIG    1       -2.102   2.376  -1.708  0.00  0.00    +0.007 A 
ATOM      6  C   LIG    1       -1.931   0.994  -1.523  0.00  0.00    -0.041 A 
ATOM      7  C   LIG    1       -1.011   0.547  -0.561  0.00  0.00    +0.020 A 
ENDROOT
BRANCH   1  12
ATOM      8  N   LIG    1        4.774   0.434   0.298  0.00  0.00    -0.178 NA
ATOM      9  C   LIG    1        4.124   1.711  -0.145  0.00  0.00    +0.128 C 
ATOM     10  C   LIG    1        2.599   1.567  -0.230  0.00  0.00    +0.125 C 
ATOM     11  N   LIG    1        1.996   1.112   1.028  0.00  0.00    -0.295 N 
ATOM     12  C   LIG    1        0.629   0.982   1.241  0.00  0.00    +0.249 C 
ATOM     13  O   LIG    1        0.137   0.437   2.225  0.00  0.00    -0.270 OA
ATOM     14  C   LIG    1        2.925   0.567   2.020  0.00  0.00    +0.125 C 
ATOM     15  C   LIG    1        4.000  -0.302   1.358  0.00  0.00    +0.128 C 
BRANCH   8  16
ATOM     16  S   LIG    1        6.444   0.595   0.574  0.00  0.00    +0.032 S 
ATOM     17  O   LIG    1        6.609   1.030   1.944  0.00  0.00    -0.158 OA
ATOM     18  O   LIG    1        6.998   1.364  -0.520  0.00  0.00    -0.158 OA
BRANCH  16  20
ATOM     19  C   LIG    1        6.711  -1.714  -0.915  0.00  0.00    +0.029 C 
ATOM     20  C   LIG    1        7.033  -1.090   0.427  0.00  0.00    +0.182 C 
ENDBRANCH  16  20
ENDBRANCH   8  16
ENDBRANCH   1  12
BRANCH   6  21
ATOM     21  C   LIG    1       -2.695   0.017  -2.390  0.00  0.00    +0.094 C 
BRANCH  21  22
ATOM     22  C   LIG    1       -3.246  -1.190  -1.642  0.00  0.00    +0.087 A 
ATOM     23  C   LIG    1       -4.391  -1.001  -0.683  0.00  0.00    +0.059 A 
ATOM     24  N   LIG    1       -4.975   0.238  -0.468  0.00  0.00    -0.342 N 
ATOM     25  H   LIG    1       -4.807   0.950  -1.170  0.00  0.00    +0.146 HD
ATOM     26  C   LIG    1       -6.227   0.364   0.266  0.00  0.00    +0.102 C 
ATOM     27  C   LIG    1       -6.224  -0.613   1.439  0.00  0.00    +0.023 C 
ATOM     28  C   LIG    1       -5.925  -2.044   0.973  0.00  0.00    +0.044 C 
ATOM     29  C   LIG    1       -4.810  -2.100  -0.036  0.00  0.00    +0.041 A 
ATOM     30  C   LIG    1       -4.182  -3.413  -0.301  0.00  0.00    +0.270 A 
ATOM     31  O   LIG    1       -4.566  -4.438   0.254  0.00  0.00    -0.266 OA
ATOM     32  N   LIG    1       -3.156  -3.417  -1.208  0.00  0.00    -0.243 N 
ATOM     33  H   LIG    1       -2.711  -4.308  -1.399  0.00  0.00    +0.192 HD
ATOM     34  N   LIG    1       -2.675  -2.335  -1.880  0.00  0.00    -0.174 NA
ENDBRANCH  21  22
ENDBRANCH   6  21
TORSDOF 5