REMARK  Name = BDB040883
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.353   1.096  -0.511  0.00  0.00    +0.172 C 
ATOM      2  C   LIG    1       -1.157  -0.214  -0.777  0.00  0.00    +0.083 C 
ATOM      3  C   LIG    1       -2.575  -0.018  -0.379  0.00  0.00    +0.025 A 
ATOM      4  C   LIG    1       -2.936   1.001   0.451  0.00  0.00    +0.130 A 
ATOM      5  N   LIG    1       -4.266   0.897   0.676  0.00  0.00    -0.250 N 
ATOM      6  N   LIG    1       -4.832  -0.123   0.012  0.00  0.00    -0.175 NA
ATOM      7  C   LIG    1       -4.977   1.740   1.617  0.00  0.00    +0.147 C 
ATOM      8  C   LIG    1       -4.196   3.035   1.893  0.00  0.00    +0.043 C 
ATOM      9  C   LIG    1       -2.695   2.775   2.119  0.00  0.00    +0.117 C 
ATOM     10  N   LIG    1       -2.140   1.946   1.050  0.00  0.00    -0.254 N 
ATOM     11  C   LIG    1       -3.799  -0.689  -0.646  0.00  0.00    +0.066 A 
ATOM     12  C   LIG    1       -4.016  -1.888  -1.490  0.00  0.00    +0.068 C 
ATOM     13  C   LIG    1       -0.775   1.875   0.781  0.00  0.00    +0.242 C 
ATOM     14  O   LIG    1        0.063   2.471   1.466  0.00  0.00    -0.273 OA
ENDROOT
BRANCH   2  15
ATOM     15  C   LIG    1       -0.667  -1.442  -0.014  0.00  0.00    -0.037 A 
ATOM     16  C   LIG    1       -0.184  -2.542  -0.749  0.00  0.00    +0.007 A 
ATOM     17  C   LIG    1        0.302  -3.679  -0.101  0.00  0.00    +0.038 A 
ATOM     18  C   LIG    1        0.311  -3.725   1.286  0.00  0.00    +0.123 A 
ATOM     19  F   LIG    1        0.778  -4.815   1.908  0.00  0.00    -0.205 F 
ATOM     20  C   LIG    1       -0.153  -2.654   2.037  0.00  0.00    +0.038 A 
ATOM     21  C   LIG    1       -0.637  -1.514   1.392  0.00  0.00    +0.007 A 
ENDBRANCH   2  15
BRANCH   1  23
ATOM     22  C   LIG    1        1.787   0.517  -1.621  0.00  0.00    +0.245 C 
ATOM     23  N   LIG    1        1.101   0.916  -0.499  0.00  0.00    -0.299 N 
ATOM     24  H   LIG    1        1.598   1.362   0.266  0.00  0.00    +0.150 HD
ATOM     25  O   LIG    1        1.232   0.252  -2.681  0.00  0.00    -0.270 OA
BRANCH  22  29
ATOM     26  C   LIG    1        5.963  -0.214   1.110  0.00  0.00    +0.044 C 
ATOM     27  C   LIG    1        5.293   0.111  -0.193  0.00  0.00    -0.050 A 
ATOM     28  C   LIG    1        3.895   0.173  -0.274  0.00  0.00    +0.016 A 
ATOM     29  C   LIG    1        3.268   0.443  -1.499  0.00  0.00    +0.037 A 
ATOM     30  C   LIG    1        4.041   0.615  -2.652  0.00  0.00    +0.013 A 
ATOM     31  C   LIG    1        5.432   0.541  -2.579  0.00  0.00    +0.001 A 
ATOM     32  C   LIG    1        6.054   0.289  -1.355  0.00  0.00    +0.003 A 
ENDBRANCH  22  29
ENDBRANCH   1  23
TORSDOF 3