REMARK  Name = BDB040738
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.248  -2.797   0.277  0.00  0.00    +0.111 C 
ATOM      2  C   LIG    1       -0.838  -2.204  -0.643  0.00  0.00    +0.129 C 
ATOM      3  N   LIG    1       -1.282  -1.440   0.493  0.00  0.00    -0.326 N 
ATOM      4  C   LIG    1       -0.672  -2.346   1.428  0.00  0.00    +0.129 C 
ENDROOT
BRANCH   3   5
ATOM      5  C   LIG    1       -2.502  -0.753   0.636  0.00  0.00    +0.035 A 
ATOM      6  C   LIG    1       -3.032  -0.477   1.900  0.00  0.00    +0.062 A 
ATOM      7  C   LIG    1       -4.234   0.218   2.030  0.00  0.00    +0.132 A 
ATOM      8  F   LIG    1       -4.713   0.438   3.263  0.00  0.00    -0.205 F 
ATOM      9  C   LIG    1       -4.948   0.677   0.921  0.00  0.00    +0.035 A 
ATOM     10  C   LIG    1       -4.410   0.396  -0.334  0.00  0.00    +0.132 A 
ATOM     11  F   LIG    1       -5.057   0.779  -1.444  0.00  0.00    -0.205 F 
ATOM     12  C   LIG    1       -3.208  -0.298  -0.482  0.00  0.00    +0.062 A 
BRANCH   9  13
ATOM     13  C   LIG    1       -6.250   1.422   1.122  0.00  0.00    +0.111 C 
ATOM     14  C   LIG    1       -6.458   2.570   0.142  0.00  0.00    +0.227 C 
ATOM     15  O   LIG    1       -5.765   3.586   0.162  0.00  0.00    -0.275 OA
ATOM     16  N   LIG    1       -7.440   2.415  -0.805  0.00  0.00    -0.256 N 
ATOM     17  H   LIG    1       -7.539   3.179  -1.460  0.00  0.00    +0.157 HD
ATOM     18  C   LIG    1       -8.136   1.276  -1.119  0.00  0.00    +0.219 C 
ATOM     19  O   LIG    1       -8.864   1.231  -2.108  0.00  0.00    -0.275 OA
ATOM     20  C   LIG    1       -7.909   0.077  -0.232  0.00  0.00    +0.097 C 
ATOM     21  C   LIG    1       -7.472   0.497   1.161  0.00  0.00    +0.027 C 
ENDBRANCH   9  13
ENDBRANCH   3   5
BRANCH   1  23
ATOM     22  C   LIG    1        2.485  -2.380  -0.734  0.00  0.00    +0.401 C 
ATOM     23  N   LIG    1        1.551  -2.100   0.217  0.00  0.00    -0.275 N 
ATOM     24  H   LIG    1        1.707  -1.233   0.715  0.00  0.00    +0.152 HD
ATOM     25  O   LIG    1        2.408  -3.286  -1.550  0.00  0.00    -0.226 OA
BRANCH  22  26
ATOM     26  O   LIG    1        3.497  -1.487  -0.639  0.00  0.00    -0.450 OA
BRANCH  26  27
ATOM     27  C   LIG    1        4.543  -1.673  -1.601  0.00  0.00    +0.237 C 
BRANCH  27  32
ATOM     28  C   LIG    1        6.812   3.003   0.350  0.00  0.00    +0.007 C 
ATOM     29  C   LIG    1        6.106   1.664   0.573  0.00  0.00    -0.014 C 
ATOM     30  C   LIG    1        7.085   0.502   0.330  0.00  0.00    +0.003 C 
ATOM     31  C   LIG    1        6.349  -0.772  -0.065  0.00  0.00    +0.007 C 
ATOM     32  C   LIG    1        5.627  -0.599  -1.415  0.00  0.00    +0.027 C 
ATOM     33  C   LIG    1        5.071   0.828  -1.601  0.00  0.00    +0.007 C 
ATOM     34  C   LIG    1        4.829   1.551  -0.279  0.00  0.00    +0.003 C 
ENDBRANCH  27  32
ENDBRANCH  26  27
ENDBRANCH  22  26
ENDBRANCH   1  23
TORSDOF 6