REMARK  Name = BDB008006
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.546  -1.041   2.017  0.00  0.00    +0.075 A 
ATOM      2  C   LIG    1        1.256   0.033   2.860  0.00  0.00    +0.136 A 
ATOM      3  F   LIG    1        0.039   0.168   3.409  0.00  0.00    -0.205 F 
ATOM      4  C   LIG    1        2.224   0.996   3.145  0.00  0.00    +0.043 A 
ATOM      5  C   LIG    1        3.498   0.879   2.589  0.00  0.00    +0.049 A 
ATOM      6  C   LIG    1        3.778  -0.201   1.752  0.00  0.00    +0.131 A 
ATOM      7  C   LIG    1        2.827  -1.181   1.476  0.00  0.00    +0.062 A 
ENDROOT
BRANCH   1   9
ATOM      8  O   LIG    1        0.874  -3.248   1.995  0.00  0.00    -0.270 OA
ATOM      9  C   LIG    1        0.547  -2.089   1.749  0.00  0.00    +0.250 C 
ATOM     10  N   LIG    1       -0.700  -1.736   1.234  0.00  0.00    -0.294 N 
ATOM     11  C   LIG    1       -1.651  -2.819   0.971  0.00  0.00    +0.127 C 
ATOM     12  C   LIG    1       -3.107  -2.348   1.053  0.00  0.00    +0.127 C 
ATOM     13  N   LIG    1       -3.351  -1.121   0.281  0.00  0.00    -0.298 N 
ATOM     14  C   LIG    1       -4.599  -0.968  -0.316  0.00  0.00    +0.219 C 
ATOM     15  O   LIG    1       -5.424  -1.885  -0.315  0.00  0.00    -0.275 OA
ATOM     16  C   LIG    1       -2.389  -0.042   0.539  0.00  0.00    +0.127 C 
ATOM     17  C   LIG    1       -0.934  -0.523   0.442  0.00  0.00    +0.127 C 
BRANCH  14  18
ATOM     18  C   LIG    1       -4.929   0.378  -0.976  0.00  0.00    +0.075 C 
ATOM     19  C   LIG    1       -6.078   0.231  -1.995  0.00  0.00    +0.013 C 
ATOM     20  C   LIG    1       -6.661   1.588  -2.365  0.00  0.00    +0.001 C 
ATOM     21  C   LIG    1       -7.272   2.294  -1.155  0.00  0.00    +0.000 C 
ATOM     22  C   LIG    1       -6.709   1.805   0.179  0.00  0.00    +0.001 C 
ATOM     23  C   LIG    1       -5.227   1.457   0.085  0.00  0.00    +0.013 C 
ENDBRANCH  14  18
ENDBRANCH   1   9
BRANCH   6  24
ATOM     24  O   LIG    1        5.069  -0.336   1.230  0.00  0.00    -0.436 OA
BRANCH  24  25
ATOM     25  C   LIG    1        5.246   0.193  -0.037  0.00  0.00    +0.246 A 
ATOM     26  C   LIG    1        6.622  -0.028  -0.507  0.00  0.00    +0.051 A 
ATOM     27  C   LIG    1        6.930   0.467  -1.773  0.00  0.00    +0.053 A 
ATOM     28  C   LIG    1        8.215   0.303  -2.302  0.00  0.00    +0.014 A 
ATOM     29  C   LIG    1        9.191  -0.360  -1.558  0.00  0.00    +0.001 A 
ATOM     30  C   LIG    1        8.885  -0.858  -0.290  0.00  0.00    +0.001 A 
ATOM     31  C   LIG    1        5.886   1.163  -2.546  0.00  0.00    +0.273 A 
ATOM     32  O   LIG    1        6.113   1.618  -3.662  0.00  0.00    -0.266 OA
ATOM     33  N   LIG    1        4.652   1.272  -1.946  0.00  0.00    -0.239 N 
ATOM     34  H   LIG    1        3.921   1.750  -2.465  0.00  0.00    +0.192 HD
ATOM     35  C   LIG    1        7.602  -0.695   0.239  0.00  0.00    +0.014 A 
ATOM     36  N   LIG    1        4.318   0.802  -0.709  0.00  0.00    -0.132 NA
ENDBRANCH  24  25
ENDBRANCH   6  24
TORSDOF 4