REMARK  Name = BDB040791
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        1.818   1.785   0.137  0.00  0.00    -0.326 N 
ATOM      2  C   LIG    1        0.840   2.036   1.162  0.00  0.00    +0.129 C 
ATOM      3  C   LIG    1       -0.210   2.116   0.037  0.00  0.00    +0.106 C 
ATOM      4  C   LIG    1        0.813   1.308  -0.784  0.00  0.00    +0.129 C 
ENDROOT
BRANCH   1   9
ATOM      5  C   LIG    1        5.726   0.185   0.660  0.00  0.00    +0.035 A 
ATOM      6  C   LIG    1        5.079   0.884   1.682  0.00  0.00    +0.132 A 
ATOM      7  F   LIG    1        5.703   1.073   2.854  0.00  0.00    -0.205 F 
ATOM      8  C   LIG    1        3.797   1.410   1.520  0.00  0.00    +0.062 A 
ATOM      9  C   LIG    1        3.110   1.252   0.313  0.00  0.00    +0.035 A 
ATOM     10  C   LIG    1        3.760   0.580  -0.726  0.00  0.00    +0.062 A 
ATOM     11  C   LIG    1        5.043   0.059  -0.548  0.00  0.00    +0.132 A 
ATOM     12  F   LIG    1        5.625  -0.554  -1.589  0.00  0.00    -0.205 F 
BRANCH   5  19
ATOM     13  O   LIG    1        9.408  -0.811  -2.549  0.00  0.00    -0.275 OA
ATOM     14  C   LIG    1        8.767  -0.656  -1.512  0.00  0.00    +0.219 C 
ATOM     15  N   LIG    1        8.224  -1.728  -0.849  0.00  0.00    -0.256 N 
ATOM     16  H   LIG    1        8.352  -2.626  -1.295  0.00  0.00    +0.157 HD
ATOM     17  C   LIG    1        7.363  -1.712   0.221  0.00  0.00    +0.227 C 
ATOM     18  O   LIG    1        6.802  -2.745   0.585  0.00  0.00    -0.275 OA
ATOM     19  C   LIG    1        7.115  -0.368   0.895  0.00  0.00    +0.111 C 
ATOM     20  C   LIG    1        8.228   0.633   0.560  0.00  0.00    +0.027 C 
ATOM     21  C   LIG    1        8.486   0.710  -0.935  0.00  0.00    +0.097 C 
ENDBRANCH   5  19
ENDBRANCH   1   9
BRANCH   3  22
ATOM     22  N   LIG    1       -1.428   1.408   0.355  0.00  0.00    -0.323 N 
ATOM     23  H   LIG    1       -1.943   1.871   1.098  0.00  0.00    +0.148 HD
BRANCH  22  24
ATOM     24  C   LIG    1       -2.342   1.032  -0.655  0.00  0.00    +0.119 A 
ATOM     25  N   LIG    1       -2.046   1.274  -1.943  0.00  0.00    -0.240 NA
ATOM     26  C   LIG    1       -2.928   0.853  -2.870  0.00  0.00    +0.113 A 
ATOM     27  C   LIG    1       -4.104   0.183  -2.571  0.00  0.00    +0.024 A 
ATOM     28  C   LIG    1       -4.432  -0.097  -1.238  0.00  0.00    -0.040 A 
ATOM     29  C   LIG    1       -3.504   0.354  -0.281  0.00  0.00    +0.047 A 
BRANCH  28  30
ATOM     30  C   LIG    1       -5.765  -0.866  -0.855  0.00  0.00    +0.020 C 
ATOM     31  C   LIG    1       -5.724  -1.979   0.246  0.00  0.00    +0.015 C 
ATOM     32  C   LIG    1       -7.051  -1.450   0.720  0.00  0.00    -0.028 C 
ATOM     33  C   LIG    1       -8.314  -2.215   0.387  0.00  0.00    +0.007 C 
ATOM     34  C   LIG    1       -8.865  -1.707   1.745  0.00  0.00    +0.001 C 
ATOM     35  C   LIG    1       -7.400  -1.456   2.187  0.00  0.00    +0.007 C 
ATOM     36  C   LIG    1       -6.818  -0.124   0.030  0.00  0.00    +0.015 C 
ENDBRANCH  28  30
ENDBRANCH  22  24
ENDBRANCH   3  22
TORSDOF 5