REMARK  Name = BDB028022
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -0.120   0.233  -1.077  0.00  0.00    -0.480 OA
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1       -1.338   0.384  -0.355  0.00  0.00    +0.259 C 
ATOM      3  C   LIG    1       -2.287   1.267  -1.177  0.00  0.00    +0.260 C 
ATOM      4  O   LIG    1       -1.916   2.120  -1.980  0.00  0.00    -0.271 OA
ATOM      5  N   LIG    1       -3.633   1.088  -0.943  0.00  0.00    -0.253 N 
ATOM      6  H   LIG    1       -4.252   1.679  -1.482  0.00  0.00    +0.158 HD
ATOM      7  C   LIG    1       -4.237   0.095  -0.215  0.00  0.00    +0.219 C 
ATOM      8  O   LIG    1       -5.459  -0.003  -0.163  0.00  0.00    -0.275 OA
ATOM      9  C   LIG    1       -3.320  -0.823   0.556  0.00  0.00    +0.100 C 
ATOM     10  C   LIG    1       -1.986  -0.983  -0.150  0.00  0.00    +0.063 C 
ENDBRANCH   1   2
BRANCH   1  13
ATOM     11  C   LIG    1        3.467   0.015  -0.608  0.00  0.00    +0.028 A 
ATOM     12  C   LIG    1        2.200   0.162  -1.177  0.00  0.00    +0.062 A 
ATOM     13  C   LIG    1        1.049   0.079  -0.387  0.00  0.00    +0.123 A 
ATOM     14  C   LIG    1        1.177  -0.166   0.981  0.00  0.00    +0.046 A 
ATOM     15  C   LIG    1        2.444  -0.314   1.553  0.00  0.00    +0.005 A 
ATOM     16  C   LIG    1        3.588  -0.222   0.760  0.00  0.00    +0.017 A 
BRANCH  11  18
ATOM     17  C   LIG    1        5.617   0.185  -2.115  0.00  0.00    +0.009 C 
ATOM     18  C   LIG    1        4.636   0.108  -1.427  0.00  0.00    -0.070 C 
ENDBRANCH  11  18
ENDBRANCH   1  13
TORSDOF 3