REMARK  Name = BDB059918
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.854  -0.581   0.032  0.00  0.00    +0.029 A 
ATOM      2  C   LIG    1        1.296   0.697   0.318  0.00  0.00    +0.103 A 
ATOM      3  N   LIG    1       -0.080   0.748   0.439  0.00  0.00    -0.269 N 
ATOM      4  C   LIG    1       -0.416   2.034   0.772  0.00  0.00    +0.209 A 
ATOM      5  N   LIG    1        0.634   2.824   0.814  0.00  0.00    -0.217 NA
ATOM      6  C   LIG    1       -0.910  -0.374   0.268  0.00  0.00    +0.202 A 
ATOM      7  N   LIG    1       -0.387  -1.544   0.023  0.00  0.00    -0.223 NA
ATOM      8  C   LIG    1        1.715   1.998   0.536  0.00  0.00    +0.202 A 
ATOM      9  C   LIG    1        0.987  -1.611  -0.096  0.00  0.00    +0.125 A 
ENDROOT
BRANCH   1  15
ATOM     10  C   LIG    1        7.375  -1.904  -0.762  0.00  0.00    +0.065 C 
ATOM     11  C   LIG    1        5.931  -1.548  -0.571  0.00  0.00    +0.039 A 
ATOM     12  N   LIG    1        5.390  -1.786   0.645  0.00  0.00    -0.256 NA
ATOM     13  C   LIG    1        4.090  -1.442   0.851  0.00  0.00    +0.046 A 
ATOM     14  C   LIG    1        3.564  -1.695   2.235  0.00  0.00    +0.066 C 
ATOM     15  C   LIG    1        3.284  -0.892  -0.155  0.00  0.00    +0.007 A 
ATOM     16  C   LIG    1        3.868  -0.672  -1.406  0.00  0.00    +0.012 A 
ATOM     17  C   LIG    1        5.206  -0.993  -1.617  0.00  0.00    +0.023 A 
ENDBRANCH   1  15
BRANCH   8  18
ATOM     18  S   LIG    1        3.339   2.606   0.501  0.00  0.00    +0.013 S 
ATOM     19  O   LIG    1        4.022   1.899   1.565  0.00  0.00    -0.168 OA
ATOM     20  O   LIG    1        3.734   2.517  -0.891  0.00  0.00    -0.168 OA
ATOM     21  C   LIG    1        3.182   4.312   0.950  0.00  0.00    +0.202 C 
ENDBRANCH   8  18
BRANCH   6  22
ATOM     22  N   LIG    1       -2.277  -0.256   0.379  0.00  0.00    -0.310 N 
ATOM     23  H   LIG    1       -2.650  -1.195   0.511  0.00  0.00    +0.149 HD
BRANCH  22  24
ATOM     24  C   LIG    1       -3.013   0.365  -0.720  0.00  0.00    +0.143 C 
BRANCH  24  25
ATOM     25  C   LIG    1       -4.459   0.486  -0.346  0.00  0.00    +0.012 A 
ATOM     26  C   LIG    1       -5.369  -0.555  -0.506  0.00  0.00    +0.005 A 
ATOM     27  C   LIG    1       -5.170  -1.938  -1.003  0.00  0.00    +0.080 C 
ATOM     28  C   LIG    1       -6.631  -2.359  -1.165  0.00  0.00    +0.234 C 
ATOM     29  O   LIG    1       -7.455  -1.533  -0.313  0.00  0.00    -0.491 OA
ATOM     30  C   LIG    1       -6.692  -0.414  -0.106  0.00  0.00    +0.124 A 
ATOM     31  C   LIG    1       -7.171   0.747   0.468  0.00  0.00    +0.049 A 
ATOM     32  C   LIG    1       -6.279   1.805   0.634  0.00  0.00    +0.042 A 
ATOM     33  C   LIG    1       -4.944   1.668   0.231  0.00  0.00    +0.129 A 
ATOM     34  F   LIG    1       -4.111   2.703   0.415  0.00  0.00    -0.205 F 
ENDBRANCH  24  25
ENDBRANCH  22  24
ENDBRANCH   6  22
TORSDOF 5