REMARK  Name = BDB040705
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.493  -2.425   1.404  0.00  0.00    +0.111 C 
ATOM      2  C   LIG    1        1.651  -1.881   2.267  0.00  0.00    +0.129 C 
ATOM      3  N   LIG    1        2.422  -1.810   1.059  0.00  0.00    -0.326 N 
ATOM      4  C   LIG    1        1.250  -1.780   0.226  0.00  0.00    +0.129 C 
ENDROOT
BRANCH   3   5
ATOM      5  C   LIG    1        3.643  -1.144   0.843  0.00  0.00    +0.035 A 
ATOM      6  C   LIG    1        4.051  -0.801  -0.450  0.00  0.00    +0.062 A 
ATOM      7  C   LIG    1        5.272  -0.161  -0.663  0.00  0.00    +0.132 A 
ATOM      8  F   LIG    1        5.619   0.151  -1.920  0.00  0.00    -0.205 F 
ATOM      9  C   LIG    1        6.128   0.156   0.391  0.00  0.00    +0.035 A 
ATOM     10  C   LIG    1        5.716  -0.195   1.676  0.00  0.00    +0.132 A 
ATOM     11  F   LIG    1        6.500   0.086   2.729  0.00  0.00    -0.205 F 
ATOM     12  C   LIG    1        4.498  -0.836   1.906  0.00  0.00    +0.062 A 
BRANCH   9  13
ATOM     13  C   LIG    1        7.463   0.831   0.162  0.00  0.00    +0.111 C 
ATOM     14  C   LIG    1        8.374   0.015  -0.757  0.00  0.00    +0.227 C 
ATOM     15  O   LIG    1        8.402  -1.215  -0.768  0.00  0.00    -0.275 OA
ATOM     16  N   LIG    1        9.244   0.729  -1.546  0.00  0.00    -0.256 N 
ATOM     17  H   LIG    1        9.860   0.176  -2.128  0.00  0.00    +0.157 HD
ATOM     18  C   LIG    1        9.495   2.077  -1.518  0.00  0.00    +0.219 C 
ATOM     19  O   LIG    1       10.413   2.567  -2.170  0.00  0.00    -0.275 OA
ATOM     20  C   LIG    1        8.638   2.905  -0.590  0.00  0.00    +0.097 C 
ATOM     21  C   LIG    1        7.281   2.256  -0.377  0.00  0.00    +0.027 C 
ENDBRANCH   9  13
ENDBRANCH   3   5
BRANCH   1  23
ATOM     22  C   LIG    1       -1.857  -1.869   0.798  0.00  0.00    +0.401 C 
ATOM     23  N   LIG    1       -0.836  -1.863   1.703  0.00  0.00    -0.275 N 
ATOM     24  H   LIG    1       -1.083  -1.512   2.619  0.00  0.00    +0.152 HD
ATOM     25  O   LIG    1       -1.773  -2.266  -0.354  0.00  0.00    -0.226 OA
BRANCH  22  26
ATOM     26  O   LIG    1       -2.971  -1.357   1.378  0.00  0.00    -0.447 OA
BRANCH  26  33
ATOM     27  C   LIG    1       -8.276   0.268  -2.393  0.00  0.00    +0.133 C 
ATOM     28  N   LIG    1       -7.997   1.406  -1.521  0.00  0.00    -0.292 N 
ATOM     29  C   LIG    1       -7.591   1.197  -0.204  0.00  0.00    +0.304 C 
ATOM     30  N   LIG    1       -6.539   0.290  -0.016  0.00  0.00    -0.285 N 
ATOM     31  C   LIG    1       -5.447   0.192  -0.994  0.00  0.00    +0.113 C 
ATOM     32  C   LIG    1       -4.094  -0.055  -0.339  0.00  0.00    +0.064 C 
ATOM     33  C   LIG    1       -4.147  -1.302   0.544  0.00  0.00    +0.181 C 
ATOM     34  C   LIG    1       -5.378  -1.328   1.458  0.00  0.00    +0.064 C 
ATOM     35  C   LIG    1       -6.211  -0.053   1.365  0.00  0.00    +0.113 C 
ATOM     36  O   LIG    1       -8.106   1.800   0.742  0.00  0.00    -0.252 OA
ATOM     37  C   LIG    1       -8.795   2.598  -1.783  0.00  0.00    +0.133 C 
ENDBRANCH  26  33
ENDBRANCH  22  26
ENDBRANCH   1  23
TORSDOF 5