REMARK  Name = BDB065342
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.749   1.478   1.204  0.00  0.00    -0.182 NA
ATOM      2  H   LIG    1        0.508   1.838   2.131  0.00  0.00    +0.148 HD
ENDROOT
BRANCH   1   3
ATOM      3  S   LIG    1        2.192   2.002   0.564  0.00  0.00    +0.059 S 
ATOM      4  O   LIG    1        1.908   2.729  -0.653  0.00  0.00    -0.153 OA
ATOM      5  O   LIG    1        2.949   2.587   1.647  0.00  0.00    -0.153 OA
BRANCH   3   6
ATOM      6  C   LIG    1        2.977   0.466   0.137  0.00  0.00    +0.105 A 
ATOM      7  C   LIG    1        3.478  -0.349   1.160  0.00  0.00    +0.031 A 
ATOM      8  C   LIG    1        4.101  -1.554   0.832  0.00  0.00    +0.040 A 
ATOM      9  C   LIG    1        4.221  -1.923  -0.505  0.00  0.00    +0.124 A 
ATOM     10  F   LIG    1        4.819  -3.080  -0.817  0.00  0.00    -0.205 F 
ATOM     11  C   LIG    1        3.732  -1.110  -1.525  0.00  0.00    +0.040 A 
ATOM     12  C   LIG    1        3.107   0.096  -1.206  0.00  0.00    +0.031 A 
ENDBRANCH   3   6
ENDBRANCH   1   3
BRANCH   1  13
ATOM     13  C   LIG    1       -0.362   1.146   0.306  0.00  0.00    +0.185 C 
BRANCH  13  15
ATOM     14  O   LIG    1       -1.581   0.997   2.379  0.00  0.00    -0.291 OA
ATOM     15  C   LIG    1       -1.566   0.785   1.163  0.00  0.00    +0.181 C 
BRANCH  15  16
ATOM     16  C   LIG    1       -2.763   0.173   0.524  0.00  0.00    +0.054 A 
ATOM     17  C   LIG    1       -2.911   0.068  -0.860  0.00  0.00    +0.134 A 
ATOM     18  F   LIG    1       -1.972   0.528  -1.697  0.00  0.00    -0.205 F 
ATOM     19  C   LIG    1       -4.050  -0.513  -1.418  0.00  0.00    +0.039 A 
ATOM     20  C   LIG    1       -5.061  -0.996  -0.590  0.00  0.00    +0.003 A 
ATOM     21  C   LIG    1       -4.931  -0.895   0.794  0.00  0.00    +0.001 A 
ATOM     22  C   LIG    1       -3.789  -0.312   1.350  0.00  0.00    +0.014 A 
ENDBRANCH  15  16
ENDBRANCH  13  15
ENDBRANCH   1  13
TORSDOF 5