REMARK  Name = BDB040692
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.099  -1.672  -2.782  0.00  0.00    +0.111 C 
ATOM      2  C   LIG    1       -1.446  -0.971  -3.045  0.00  0.00    +0.129 C 
ATOM      3  N   LIG    1       -1.641  -0.965  -1.620  0.00  0.00    -0.326 N 
ATOM      4  C   LIG    1       -0.721  -2.056  -1.425  0.00  0.00    +0.129 C 
ENDROOT
BRANCH   3   5
ATOM      5  C   LIG    1       -2.849  -0.741  -0.929  0.00  0.00    +0.035 A 
ATOM      6  C   LIG    1       -3.043  -1.240   0.363  0.00  0.00    +0.062 A 
ATOM      7  C   LIG    1       -4.237  -1.006   1.045  0.00  0.00    +0.132 A 
ATOM      8  F   LIG    1       -4.375  -1.501   2.283  0.00  0.00    -0.205 F 
ATOM      9  C   LIG    1       -5.272  -0.265   0.476  0.00  0.00    +0.035 A 
ATOM     10  C   LIG    1       -5.063   0.244  -0.805  0.00  0.00    +0.132 A 
ATOM     11  F   LIG    1       -6.017   0.983  -1.391  0.00  0.00    -0.205 F 
ATOM     12  C   LIG    1       -3.876   0.018  -1.501  0.00  0.00    +0.062 A 
BRANCH   9  13
ATOM     13  C   LIG    1       -6.561  -0.028   1.232  0.00  0.00    +0.111 C 
ATOM     14  C   LIG    1       -7.786  -0.517   0.461  0.00  0.00    +0.227 C 
ATOM     15  O   LIG    1       -7.778  -1.508  -0.268  0.00  0.00    -0.275 OA
ATOM     16  N   LIG    1       -8.958   0.168   0.678  0.00  0.00    -0.256 N 
ATOM     17  H   LIG    1       -9.767  -0.178   0.181  0.00  0.00    +0.157 HD
ATOM     18  C   LIG    1       -9.195   1.175   1.579  0.00  0.00    +0.219 C 
ATOM     19  O   LIG    1      -10.327   1.611   1.761  0.00  0.00    -0.275 OA
ATOM     20  C   LIG    1       -8.009   1.649   2.383  0.00  0.00    +0.097 C 
ATOM     21  C   LIG    1       -6.713   1.448   1.614  0.00  0.00    +0.027 C 
ENDBRANCH   9  13
ENDBRANCH   3   5
BRANCH   1  23
ATOM     22  C   LIG    1        2.324  -1.217  -2.439  0.00  0.00    +0.401 C 
ATOM     23  N   LIG    1        1.065  -0.762  -2.690  0.00  0.00    -0.275 N 
ATOM     24  H   LIG    1        0.940   0.233  -2.565  0.00  0.00    +0.152 HD
ATOM     25  O   LIG    1        2.648  -2.393  -2.375  0.00  0.00    -0.226 OA
BRANCH  22  26
ATOM     26  O   LIG    1        3.154  -0.163  -2.253  0.00  0.00    -0.444 OA
BRANCH  26  29
ATOM     27  N   LIG    1        5.966  -0.274  -0.514  0.00  0.00    -0.308 N 
ATOM     28  C   LIG    1        5.431   0.625  -1.493  0.00  0.00    +0.153 C 
ATOM     29  C   LIG    1        4.521  -0.529  -1.955  0.00  0.00    +0.212 C 
ATOM     30  C   LIG    1        4.813  -1.129  -0.566  0.00  0.00    +0.153 C 
BRANCH  27  34
ATOM     31  C   LIG    1        9.082   2.715   1.898  0.00  0.00    +0.044 C 
ATOM     32  C   LIG    1        8.177   1.522   1.859  0.00  0.00    -0.046 A 
ATOM     33  C   LIG    1        7.498   1.179   0.685  0.00  0.00    +0.047 A 
ATOM     34  C   LIG    1        6.633   0.082   0.672  0.00  0.00    +0.122 A 
ATOM     35  N   LIG    1        6.434  -0.668   1.778  0.00  0.00    -0.240 NA
ATOM     36  C   LIG    1        7.086  -0.318   2.908  0.00  0.00    +0.113 A 
ATOM     37  C   LIG    1        7.951   0.759   3.001  0.00  0.00    +0.023 A 
ENDBRANCH  27  34
ENDBRANCH  26  29
ENDBRANCH  22  26
ENDBRANCH   1  23
TORSDOF 6