REMARK  Name = BDB049205
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.403   1.335  -0.155  0.00  0.00    +0.055 A 
ATOM      2  C   LIG    1       -0.949   0.980  -0.384  0.00  0.00    +0.051 A 
ATOM      3  C   LIG    1       -1.881   1.995  -0.637  0.00  0.00    +0.025 A 
ATOM      4  C   LIG    1       -1.480   3.333  -0.671  0.00  0.00    +0.014 A 
ATOM      5  C   LIG    1       -0.140   3.685  -0.456  0.00  0.00    +0.057 A 
ATOM      6  C   LIG    1        0.798   2.673  -0.192  0.00  0.00    +0.037 A 
ENDROOT
BRANCH   2   7
ATOM      7  N   LIG    1       -1.314  -0.392  -0.312  0.00  0.00    -0.328 N 
ATOM      8  C   LIG    1       -1.899  -0.709   1.008  0.00  0.00    +0.105 C 
ATOM      9  C   LIG    1       -2.415  -2.144   1.004  0.00  0.00    +0.019 C 
ATOM     10  C   LIG    1       -3.526  -2.338  -0.029  0.00  0.00    +0.003 C 
ATOM     11  C   LIG    1       -3.479  -1.300  -1.151  0.00  0.00    +0.019 C 
ATOM     12  C   LIG    1       -2.047  -0.897  -1.491  0.00  0.00    +0.105 C 
ENDBRANCH   2   7
BRANCH   1  15
ATOM     13  O   LIG    1        3.288   1.300   0.614  0.00  0.00    -0.270 OA
ATOM     14  C   LIG    1        2.618   0.295   0.404  0.00  0.00    +0.248 C 
ATOM     15  N   LIG    1        1.281   0.257   0.080  0.00  0.00    -0.280 N 
ATOM     16  H   LIG    1        0.791  -0.633   0.048  0.00  0.00    +0.155 HD
BRANCH  14  17
ATOM     17  C   LIG    1        3.273  -1.035   0.542  0.00  0.00    +0.040 A 
ATOM     18  C   LIG    1        2.869  -2.143  -0.205  0.00  0.00    +0.033 A 
ATOM     19  C   LIG    1        3.544  -3.335  -0.009  0.00  0.00    +0.111 A 
ATOM     20  N   LIG    1        4.567  -3.485   0.859  0.00  0.00    -0.263 NA
ATOM     21  C   LIG    1        4.950  -2.391   1.552  0.00  0.00    +0.111 A 
ATOM     22  C   LIG    1        4.345  -1.155   1.428  0.00  0.00    +0.033 A 
ENDBRANCH  14  17
ENDBRANCH   1  15
BRANCH   5  23
ATOM     23  C   LIG    1        0.297   5.129  -0.474  0.00  0.00    +0.417 C 
ATOM     24  F   LIG    1        1.471   5.325  -1.134  0.00  0.00    -0.166 F 
ATOM     25  F   LIG    1       -0.606   5.953  -1.079  0.00  0.00    -0.166 F 
ATOM     26  F   LIG    1        0.477   5.634   0.778  0.00  0.00    -0.166 F 
ENDBRANCH   5  23
TORSDOF 4