REMARK  Name = BDB008831
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.589  -0.680   0.454  0.00  0.00    +0.072 A 
ATOM      2  C   LIG    1        2.852  -2.053   0.332  0.00  0.00    +0.145 A 
ATOM      3  F   LIG    1        3.933  -2.611   0.889  0.00  0.00    -0.204 F 
ATOM      4  C   LIG    1        2.003  -2.899  -0.387  0.00  0.00    +0.041 A 
ATOM      5  C   LIG    1        0.860  -2.388  -0.995  0.00  0.00    +0.013 A 
ATOM      6  C   LIG    1        0.573  -1.030  -0.863  0.00  0.00    +0.004 A 
ATOM      7  C   LIG    1        1.435  -0.174  -0.162  0.00  0.00    +0.036 A 
ENDROOT
BRANCH   6   8
ATOM      8  C   LIG    1       -0.635  -0.485  -1.518  0.00  0.00    +0.095 A 
ATOM      9  C   LIG    1       -1.758  -0.035  -0.642  0.00  0.00    -0.011 A 
ATOM     10  C   LIG    1       -1.716  -0.220   0.851  0.00  0.00    +0.038 C 
ATOM     11  C   LIG    1       -3.087  -0.059   1.516  0.00  0.00    +0.005 C 
ATOM     12  C   LIG    1       -3.828   1.149   0.958  0.00  0.00    +0.005 C 
ATOM     13  C   LIG    1       -4.035   1.017  -0.553  0.00  0.00    +0.041 C 
ATOM     14  C   LIG    1       -2.819   0.500  -1.272  0.00  0.00    +0.024 A 
ATOM     15  C   LIG    1       -2.841   0.591  -2.755  0.00  0.00    +0.268 A 
ATOM     16  O   LIG    1       -3.792   1.079  -3.357  0.00  0.00    -0.266 OA
ATOM     17  N   LIG    1       -1.745   0.088  -3.404  0.00  0.00    -0.242 N 
ATOM     18  H   LIG    1       -1.741   0.138  -4.417  0.00  0.00    +0.192 HD
ATOM     19  N   LIG    1       -0.639  -0.438  -2.814  0.00  0.00    -0.171 NA
ENDBRANCH   6   8
BRANCH   1  22
ATOM     20  O   LIG    1        5.279  -0.879   2.159  0.00  0.00    -0.275 OA
ATOM     21  C   LIG    1        4.569   0.050   1.861  0.00  0.00    +0.221 C 
ATOM     22  N   LIG    1        3.421   0.197   1.152  0.00  0.00    -0.268 N 
ATOM     23  C   LIG    1        3.309   1.637   1.342  0.00  0.00    +0.123 C 
ATOM     24  C   LIG    1        4.613   1.559   2.152  0.00  0.00    +0.115 C 
ENDBRANCH   1  22
TORSDOF 2