REMARK  Name = BDB042702
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.069  -0.933   0.463  0.00  0.00    +0.102 C 
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1        0.212  -1.744   0.562  0.00  0.00    +0.216 C 
ATOM      3  N   LIG    1        1.402  -1.027   0.626  0.00  0.00    -0.301 N 
ATOM      4  C   LIG    1        2.653  -1.766   0.798  0.00  0.00    +0.109 C 
ATOM      5  C   LIG    1        3.664  -0.975   1.618  0.00  0.00    +0.041 C 
ATOM      6  C   LIG    1        3.981   0.387   0.986  0.00  0.00    +0.076 C 
ATOM      7  C   LIG    1        2.862   0.889   0.063  0.00  0.00    +0.041 C 
ATOM      8  C   LIG    1        1.492   0.433   0.544  0.00  0.00    +0.109 C 
ATOM      9  O   LIG    1        0.189  -2.975   0.579  0.00  0.00    -0.276 OA
BRANCH   6  10
ATOM     10  N   LIG    1        5.250   0.347   0.269  0.00  0.00    -0.312 N 
ATOM     11  H   LIG    1        5.506  -0.488  -0.241  0.00  0.00    +0.149 HD
ATOM     12  C   LIG    1        5.973   1.489   0.020  0.00  0.00    +0.216 C 
ATOM     13  O   LIG    1        5.680   2.607   0.419  0.00  0.00    -0.276 OA
BRANCH  12  14
ATOM     14  C   LIG    1        7.163   1.279  -0.840  0.00  0.00    +0.075 C 
ATOM     15  C   LIG    1        8.179   0.203  -0.536  0.00  0.00    +0.013 C 
ATOM     16  C   LIG    1        8.532   1.643  -0.314  0.00  0.00    +0.013 C 
ENDBRANCH  12  14
ENDBRANCH   6  10
ENDBRANCH   1   2
BRANCH   1  17
ATOM     17  C   LIG    1       -2.309  -1.822   0.581  0.00  0.00    +0.062 C 
BRANCH  17  25
ATOM     18  C   LIG    1       -6.162  -1.080  -3.021  0.00  0.00    +0.044 C 
ATOM     19  C   LIG    1       -6.461  -0.262  -1.793  0.00  0.00    -0.042 A 
ATOM     20  C   LIG    1       -5.612  -0.258  -0.663  0.00  0.00    -0.005 A 
ATOM     21  C   LIG    1       -5.954   0.531   0.456  0.00  0.00    +0.082 A 
ATOM     22  C   LIG    1       -5.062   0.531   1.642  0.00  0.00    +0.259 A 
ATOM     23  N   LIG    1       -3.934  -0.256   1.558  0.00  0.00    -0.326 N 
ATOM     24  H   LIG    1       -3.356  -0.251   2.390  0.00  0.00    +0.169 HD
ATOM     25  C   LIG    1       -3.584  -1.022   0.474  0.00  0.00    +0.020 A 
ATOM     26  O   LIG    1       -5.287   1.183   2.653  0.00  0.00    -0.267 OA
ATOM     27  C   LIG    1       -7.117   1.298   0.445  0.00  0.00    +0.136 A 
ATOM     28  F   LIG    1       -7.470   2.059   1.490  0.00  0.00    -0.205 F 
ATOM     29  C   LIG    1       -7.953   1.296  -0.665  0.00  0.00    +0.039 A 
ATOM     30  C   LIG    1       -4.373  -1.052  -0.611  0.00  0.00    +0.030 A 
ATOM     31  C   LIG    1       -7.629   0.521  -1.778  0.00  0.00    +0.007 A 
ENDBRANCH  17  25
ENDBRANCH   1  17
TORSDOF 5