REMARK  Name = BDB060209
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        2.418   0.082   0.505  0.00  0.00    -0.299 N 
ATOM      2  C   LIG    1        1.410   0.498  -0.397  0.00  0.00    +0.039 A 
ATOM      3  C   LIG    1        1.559   1.260  -1.547  0.00  0.00    +0.024 A 
ATOM      4  C   LIG    1        0.437   1.541  -2.330  0.00  0.00    +0.004 A 
ATOM      5  C   LIG    1       -0.824   1.059  -1.961  0.00  0.00    +0.025 A 
ATOM      6  C   LIG    1       -0.983   0.299  -0.798  0.00  0.00    +0.057 A 
ATOM      7  C   LIG    1        0.145   0.001  -0.044  0.00  0.00    -0.002 A 
ATOM      8  C   LIG    1        0.274  -0.790   1.216  0.00  0.00    +0.058 C 
ATOM      9  C   LIG    1        1.796  -0.980   1.313  0.00  0.00    +0.116 C 
ENDROOT
BRANCH   1  12
ATOM     10  C   LIG    1        6.070  -0.208   1.238  0.00  0.00    +0.122 A 
ATOM     11  C   LIG    1        4.712  -0.526   1.099  0.00  0.00    +0.069 A 
ATOM     12  C   LIG    1        3.768   0.406   0.634  0.00  0.00    +0.037 A 
ATOM     13  C   LIG    1        4.242   1.688   0.331  0.00  0.00    +0.023 A 
ATOM     14  C   LIG    1        5.593   2.022   0.466  0.00  0.00    +0.005 A 
ATOM     15  C   LIG    1        6.509   1.073   0.916  0.00  0.00    +0.046 A 
BRANCH  10  17
ATOM     16  C   LIG    1        8.239  -0.964   1.855  0.00  0.00    +0.277 C 
ATOM     17  O   LIG    1        6.852  -1.235   1.693  0.00  0.00    -0.495 OA
ENDBRANCH  10  17
ENDBRANCH   1  12
BRANCH   6  18
ATOM     18  N   LIG    1       -2.293  -0.228  -0.537  0.00  0.00    -0.192 N 
BRANCH  18  19
ATOM     19  S   LIG    1       -2.997   0.227   0.948  0.00  0.00    +0.075 S 
ATOM     20  O   LIG    1       -2.614   1.583   1.277  0.00  0.00    -0.150 OA
ATOM     21  O   LIG    1       -2.799  -0.856   1.892  0.00  0.00    -0.150 OA
BRANCH  19  22
ATOM     22  C   LIG    1       -4.734   0.288   0.561  0.00  0.00    +0.109 A 
ATOM     23  C   LIG    1       -5.210   1.337  -0.237  0.00  0.00    +0.031 A 
ATOM     24  C   LIG    1       -6.569   1.404  -0.541  0.00  0.00    +0.040 A 
ATOM     25  C   LIG    1       -7.433   0.434  -0.041  0.00  0.00    +0.124 A 
ATOM     26  F   LIG    1       -8.737   0.498  -0.342  0.00  0.00    -0.205 F 
ATOM     27  C   LIG    1       -6.966  -0.601   0.764  0.00  0.00    +0.040 A 
ATOM     28  C   LIG    1       -5.608  -0.675   1.077  0.00  0.00    +0.031 A 
ENDBRANCH  19  22
ENDBRANCH  18  19
BRANCH  18  29
ATOM     29  C   LIG    1       -2.495  -1.637  -0.969  0.00  0.00    +0.251 C 
BRANCH  29  30
ATOM     30  C   LIG    1       -3.848  -1.891  -1.580  0.00  0.00    +0.324 C 
ATOM     31  O   LIG    1       -4.564  -2.855  -1.358  0.00  0.00    -0.249 OA
BRANCH  30  32
ATOM     32  O   LIG    1       -4.230  -0.955  -2.474  0.00  0.00    -0.479 OA
ATOM     33  H   LIG    1       -5.116  -1.249  -2.774  0.00  0.00    +0.295 HD
ENDBRANCH  30  32
ENDBRANCH  29  30
ENDBRANCH  18  29
ENDBRANCH   6  18
TORSDOF 8