REMARK  Name = BDB042480
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.778  -2.011   0.193  0.00  0.00    +0.054 C 
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1       -2.398  -0.656   0.436  0.00  0.00    +0.020 A 
ATOM      3  N   LIG    1       -1.573   0.348   0.877  0.00  0.00    -0.326 N 
ATOM      4  H   LIG    1       -0.586   0.173   1.029  0.00  0.00    +0.169 HD
ATOM      5  C   LIG    1       -1.970   1.638   1.153  0.00  0.00    +0.259 A 
ATOM      6  O   LIG    1       -1.154   2.469   1.530  0.00  0.00    -0.267 OA
ATOM      7  C   LIG    1       -3.411   1.938   0.965  0.00  0.00    +0.082 A 
ATOM      8  C   LIG    1       -4.275   0.913   0.527  0.00  0.00    -0.005 A 
ATOM      9  C   LIG    1       -5.649   1.194   0.348  0.00  0.00    -0.042 A 
ATOM     10  C   LIG    1       -6.124   2.491   0.612  0.00  0.00    +0.007 A 
ATOM     11  C   LIG    1       -5.258   3.494   1.044  0.00  0.00    +0.039 A 
ATOM     12  C   LIG    1       -6.630   0.151  -0.116  0.00  0.00    +0.044 C 
ATOM     13  C   LIG    1       -3.907   3.215   1.219  0.00  0.00    +0.136 A 
ATOM     14  F   LIG    1       -3.113   4.211   1.635  0.00  0.00    -0.205 F 
ATOM     15  C   LIG    1       -3.709  -0.421   0.268  0.00  0.00    +0.030 A 
ENDBRANCH   1   2
BRANCH   1  16
ATOM     16  C   LIG    1       -1.332  -2.233  -1.258  0.00  0.00    +0.021 C 
BRANCH  16  17
ATOM     17  C   LIG    1       -0.169  -1.362  -1.763  0.00  0.00    +0.085 C 
BRANCH  17  21
ATOM     18  N   LIG    1        3.680  -0.891  -0.351  0.00  0.00    -0.307 N 
ATOM     19  C   LIG    1        3.044  -0.213  -1.482  0.00  0.00    +0.122 C 
ATOM     20  C   LIG    1        2.203  -1.202  -2.322  0.00  0.00    +0.103 C 
ATOM     21  N   LIG    1        1.164  -1.955  -1.579  0.00  0.00    -0.299 NA
ATOM     22  C   LIG    1        1.547  -2.121  -0.161  0.00  0.00    +0.103 C 
ATOM     23  C   LIG    1        3.072  -2.150   0.092  0.00  0.00    +0.122 C 
BRANCH  18  27
ATOM     24  C   LIG    1        7.202   2.264   1.871  0.00  0.00    +0.053 C 
ATOM     25  C   LIG    1        6.290   1.158   1.490  0.00  0.00    +0.008 A 
ATOM     26  S   LIG    1        5.271   1.285   0.124  0.00  0.00    -0.057 S 
ATOM     27  C   LIG    1        4.632  -0.302   0.426  0.00  0.00    +0.161 A 
ATOM     28  N   LIG    1        5.161  -0.881   1.484  0.00  0.00    -0.233 NA
ATOM     29  C   LIG    1        6.094  -0.065   2.088  0.00  0.00    +0.124 A 
ENDBRANCH  18  27
ENDBRANCH  17  21
ENDBRANCH  16  17
ENDBRANCH   1  16
TORSDOF 5