REMARK  Name = BDB040779
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.084  -1.988   0.785  0.00  0.00    +0.176 A 
ATOM      2  C   LIG    1        3.034  -1.714  -0.216  0.00  0.00    +0.170 A 
ATOM      3  F   LIG    1        3.367  -2.655  -1.114  0.00  0.00    -0.201 F 
ATOM      4  C   LIG    1        3.690  -0.477  -0.306  0.00  0.00    +0.003 A 
ATOM      5  C   LIG    1        3.399   0.497   0.652  0.00  0.00    +0.009 A 
ATOM      6  C   LIG    1        2.470   0.237   1.662  0.00  0.00    +0.027 A 
ATOM      7  C   LIG    1        1.788  -0.991   1.744  0.00  0.00    +0.075 A 
ENDROOT
BRANCH   4   8
ATOM      8  C   LIG    1        4.701  -0.232  -1.411  0.00  0.00    +0.109 C 
ATOM      9  C   LIG    1        4.362   0.986  -2.268  0.00  0.00    +0.227 C 
ATOM     10  O   LIG    1        3.219   1.393  -2.466  0.00  0.00    -0.275 OA
ATOM     11  N   LIG    1        5.425   1.607  -2.885  0.00  0.00    -0.256 N 
ATOM     12  H   LIG    1        5.195   2.401  -3.468  0.00  0.00    +0.157 HD
ATOM     13  C   LIG    1        6.756   1.281  -2.818  0.00  0.00    +0.219 C 
ATOM     14  O   LIG    1        7.592   1.905  -3.464  0.00  0.00    -0.275 OA
ATOM     15  C   LIG    1        7.114   0.087  -1.969  0.00  0.00    +0.097 C 
ATOM     16  C   LIG    1        6.116  -0.101  -0.837  0.00  0.00    +0.027 C 
ENDBRANCH   4   8
BRANCH   7  17
ATOM     17  N   LIG    1        0.852  -1.181   2.796  0.00  0.00    -0.323 N 
ATOM     18  C   LIG    1       -0.284  -2.071   2.804  0.00  0.00    +0.129 C 
ATOM     19  C   LIG    1       -0.835  -1.239   3.971  0.00  0.00    +0.109 C 
ATOM     20  C   LIG    1        0.136  -0.147   3.503  0.00  0.00    +0.129 C 
BRANCH  19  21
ATOM     21  N   LIG    1       -2.232  -0.916   3.940  0.00  0.00    -0.292 N 
ATOM     22  H   LIG    1       -2.749  -1.166   4.777  0.00  0.00    +0.151 HD
BRANCH  21  23
ATOM     23  C   LIG    1       -2.976  -0.413   2.940  0.00  0.00    +0.308 A 
ATOM     24  O   LIG    1       -2.376  -0.094   1.758  0.00  0.00    -0.409 OA
ATOM     25  C   LIG    1       -3.428   0.363   1.010  0.00  0.00    +0.222 A 
ATOM     26  N   LIG    1       -4.564   0.335   1.677  0.00  0.00    -0.111 NA
ATOM     27  N   LIG    1       -4.268  -0.169   2.927  0.00  0.00    -0.093 NA
BRANCH  25  28
ATOM     28  C   LIG    1       -3.277   0.845  -0.466  0.00  0.00    +0.078 C 
ATOM     29  C   LIG    1       -3.893   2.239  -0.763  0.00  0.00    +0.020 C 
ATOM     30  C   LIG    1       -5.035   1.524  -1.449  0.00  0.00    -0.028 C 
ATOM     31  C   LIG    1       -5.578   2.084  -2.741  0.00  0.00    +0.007 C 
ATOM     32  C   LIG    1       -6.758   2.639  -1.904  0.00  0.00    +0.001 C 
ATOM     33  C   LIG    1       -6.407   1.597  -0.812  0.00  0.00    +0.007 C 
ATOM     34  C   LIG    1       -4.293   0.213  -1.457  0.00  0.00    +0.020 C 
ENDBRANCH  25  28
ENDBRANCH  21  23
ENDBRANCH  19  21
ENDBRANCH   7  17
BRANCH   1  36
ATOM     35  C   LIG    1        1.405  -4.063  -0.197  0.00  0.00    +0.277 C 
ATOM     36  O   LIG    1        1.435  -3.191   0.925  0.00  0.00    -0.490 OA
ENDBRANCH   1  36
TORSDOF 6