REMARK  Name = BDB050759
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.691  -0.414  -0.915  0.00  0.00    +0.075 A 
ATOM      2  C   LIG    1       -0.502  -1.209  -2.039  0.00  0.00    +0.170 A 
ATOM      3  F   LIG    1        0.445  -0.918  -2.942  0.00  0.00    -0.202 F 
ATOM      4  C   LIG    1       -1.307  -2.324  -2.227  0.00  0.00    +0.159 A 
ATOM      5  F   LIG    1       -1.123  -3.113  -3.295  0.00  0.00    -0.202 F 
ATOM      6  C   LIG    1       -2.314  -2.644  -1.316  0.00  0.00    +0.045 A 
ATOM      7  C   LIG    1       -2.544  -1.827  -0.198  0.00  0.00    -0.038 A 
ATOM      8  C   LIG    1       -1.713  -0.712   0.000  0.00  0.00    +0.020 A 
ENDROOT
BRANCH   1  10
ATOM      9  O   LIG    1       -0.479   1.865  -0.640  0.00  0.00    -0.270 OA
ATOM     10  C   LIG    1        0.120   0.794  -0.701  0.00  0.00    +0.250 C 
ATOM     11  N   LIG    1        1.494   0.675  -0.551  0.00  0.00    -0.294 N 
ATOM     12  C   LIG    1        2.287   1.898  -0.414  0.00  0.00    +0.127 C 
ATOM     13  C   LIG    1        3.758   1.716  -0.829  0.00  0.00    +0.124 C 
ATOM     14  N   LIG    1        4.397   0.600  -0.107  0.00  0.00    -0.327 N 
ATOM     15  C   LIG    1        3.516  -0.444   0.436  0.00  0.00    +0.124 C 
ATOM     16  C   LIG    1        2.227  -0.589  -0.398  0.00  0.00    +0.127 C 
BRANCH  14  17
ATOM     17  C   LIG    1        5.765   0.588   0.122  0.00  0.00    +0.030 A 
ATOM     18  C   LIG    1        6.656   1.321  -0.680  0.00  0.00    +0.023 A 
ATOM     19  C   LIG    1        8.039   1.312  -0.458  0.00  0.00    +0.002 A 
ATOM     20  C   LIG    1        8.572   0.562   0.583  0.00  0.00    +0.000 A 
ATOM     21  C   LIG    1        7.720  -0.176   1.395  0.00  0.00    +0.002 A 
ATOM     22  C   LIG    1        6.339  -0.161   1.163  0.00  0.00    +0.023 A 
ENDBRANCH  14  17
ENDBRANCH   1  10
BRANCH   7  23
ATOM     23  C   LIG    1       -3.629  -2.192   0.791  0.00  0.00    +0.093 C 
BRANCH  23  24
ATOM     24  C   LIG    1       -4.418  -1.002   1.320  0.00  0.00    +0.074 A 
ATOM     25  C   LIG    1       -5.446  -0.351   0.468  0.00  0.00    +0.011 A 
ATOM     26  C   LIG    1       -6.124   0.739   1.012  0.00  0.00    +0.050 A 
ATOM     27  C   LIG    1       -7.106   1.410   0.273  0.00  0.00    +0.014 A 
ATOM     28  C   LIG    1       -7.410   0.987  -1.019  0.00  0.00    +0.001 A 
ATOM     29  C   LIG    1       -6.736  -0.102  -1.569  0.00  0.00    +0.001 A 
ATOM     30  C   LIG    1       -5.799   1.178   2.378  0.00  0.00    +0.272 A 
ATOM     31  O   LIG    1       -6.378   2.123   2.902  0.00  0.00    -0.266 OA
ATOM     32  N   LIG    1       -4.819   0.466   3.025  0.00  0.00    -0.242 N 
ATOM     33  H   LIG    1       -4.579   0.760   3.967  0.00  0.00    +0.192 HD
ATOM     34  C   LIG    1       -5.756  -0.773  -0.831  0.00  0.00    +0.010 A 
ATOM     35  N   LIG    1       -4.137  -0.599   2.525  0.00  0.00    -0.175 NA
ENDBRANCH  23  24
ENDBRANCH   7  23
TORSDOF 4