REMARK  Name = BDB043123
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.052   1.799  -0.079  0.00  0.00    -0.026 A 
ATOM      2  C   LIG    1       -0.872   0.893  -0.131  0.00  0.00    +0.064 A 
ATOM      3  C   LIG    1        0.371   1.465  -0.463  0.00  0.00    +0.152 A 
ATOM      4  C   LIG    1        1.580   0.743  -0.515  0.00  0.00    +0.067 A 
ATOM      5  C   LIG    1        2.893   1.408  -0.855  0.00  0.00    +0.158 C 
ATOM      6  C   LIG    1        4.099   0.485  -0.629  0.00  0.00    +0.060 C 
ATOM      7  C   LIG    1        5.350   1.062  -1.297  0.00  0.00    +0.014 C 
ATOM      8  C   LIG    1        3.724  -0.906  -1.141  0.00  0.00    +0.176 C 
ATOM      9  C   LIG    1        4.857  -1.921  -1.020  0.00  0.00    +0.052 C 
ATOM     10  O   LIG    1        2.638  -1.432  -0.364  0.00  0.00    -0.488 OA
ATOM     11  C   LIG    1        1.524  -0.632  -0.288  0.00  0.00    +0.141 A 
ATOM     12  C   LIG    1        0.309  -1.255   0.050  0.00  0.00    +0.059 A 
ATOM     13  C   LIG    1        0.264  -2.689   0.338  0.00  0.00    +0.015 C 
ATOM     14  C   LIG    1       -0.923  -3.275   0.506  0.00  0.00    +0.020 C 
ATOM     15  C   LIG    1       -2.217  -2.515   0.426  0.00  0.00    +0.124 C 
ATOM     16  C   LIG    1       -2.964  -2.885  -0.860  0.00  0.00    +0.060 C 
ATOM     17  C   LIG    1       -3.084  -2.859   1.643  0.00  0.00    +0.060 C 
ATOM     18  O   LIG    1       -2.072  -1.084   0.444  0.00  0.00    -0.481 OA
ATOM     19  O   LIG    1        0.474   2.840  -0.794  0.00  0.00    -0.422 OA
ATOM     20  C   LIG    1       -0.621   3.677  -0.832  0.00  0.00    +0.337 A 
ATOM     21  O   LIG    1       -0.535   4.854  -1.160  0.00  0.00    -0.245 OA
ATOM     22  C   LIG    1       -0.878  -0.497   0.117  0.00  0.00    +0.143 A 
ATOM     23  C   LIG    1       -1.897   3.085  -0.435  0.00  0.00    +0.096 A 
ENDROOT
BRANCH   5  24
ATOM     24  O   LIG    1        3.106   2.582  -0.070  0.00  0.00    -0.387 OA
ATOM     25  H   LIG    1        2.334   3.161  -0.202  0.00  0.00    +0.210 HD
ENDBRANCH   5  24
BRANCH   1  26
ATOM     26  C   LIG    1       -3.433   1.339   0.338  0.00  0.00    +0.036 C 
BRANCH  26  28
ATOM     27  C   LIG    1       -3.533   2.477   2.623  0.00  0.00    +0.004 C 
ATOM     28  C   LIG    1       -3.618   1.166   1.853  0.00  0.00    +0.001 C 
ENDBRANCH  26  28
ENDBRANCH   1  26
TORSDOF 3