REMARK  Name = BDB062448
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.656  -2.469   0.493  0.00  0.00    -0.016 A 
ATOM      2  C   LIG    1       -0.525  -1.708   0.600  0.00  0.00    +0.036 A 
ATOM      3  C   LIG    1       -1.787  -2.318   0.675  0.00  0.00    +0.067 A 
ATOM      4  C   LIG    1       -1.862  -3.718   0.705  0.00  0.00    +0.028 A 
ATOM      5  C   LIG    1       -0.705  -4.488   0.602  0.00  0.00    +0.003 A 
ATOM      6  C   LIG    1        0.539  -3.868   0.486  0.00  0.00    +0.008 A 
ENDROOT
BRANCH   1   9
ATOM      7  C   LIG    1        3.438  -0.096  -0.524  0.00  0.00    +0.037 A 
ATOM      8  C   LIG    1        2.183  -0.714  -0.455  0.00  0.00    +0.021 A 
ATOM      9  C   LIG    1        1.976  -1.811   0.399  0.00  0.00    -0.017 A 
ATOM     10  C   LIG    1        3.070  -2.263   1.162  0.00  0.00    +0.008 A 
ATOM     11  C   LIG    1        4.329  -1.658   1.070  0.00  0.00    +0.001 A 
ATOM     12  C   LIG    1        4.517  -0.574   0.219  0.00  0.00    +0.013 A 
BRANCH   7  15
ATOM     13  C   LIG    1        3.416   3.434  -1.878  0.00  0.00    +0.132 C 
ATOM     14  N   LIG    1        3.095   2.292  -1.041  0.00  0.00    -0.304 N 
ATOM     15  C   LIG    1        3.642   1.061  -1.416  0.00  0.00    +0.246 C 
ATOM     16  O   LIG    1        4.302   0.882  -2.436  0.00  0.00    -0.270 OA
ATOM     17  C   LIG    1        2.698   2.591   0.328  0.00  0.00    +0.132 C 
ENDBRANCH   7  15
ENDBRANCH   1   9
BRANCH   3  18
ATOM     18  N   LIG    1       -2.998  -1.558   0.747  0.00  0.00    -0.231 N 
ATOM     19  C   LIG    1       -3.257  -0.225   0.398  0.00  0.00    +0.090 A 
ATOM     20  C   LIG    1       -4.561   0.034   0.822  0.00  0.00    +0.104 A 
ATOM     21  C   LIG    1       -5.023  -1.200   1.311  0.00  0.00    +0.150 A 
ATOM     22  N   LIG    1       -4.120  -2.168   1.218  0.00  0.00    -0.173 NA
BRANCH  19  23
ATOM     23  C   LIG    1       -2.357   0.637  -0.370  0.00  0.00    +0.019 A 
ATOM     24  C   LIG    1       -1.951   0.292  -1.659  0.00  0.00    +0.120 A 
ATOM     25  N   LIG    1       -1.095   1.024  -2.410  0.00  0.00    -0.263 NA
ATOM     26  C   LIG    1       -0.642   2.173  -1.867  0.00  0.00    +0.111 A 
ATOM     27  C   LIG    1       -1.001   2.619  -0.605  0.00  0.00    +0.020 A 
ATOM     28  C   LIG    1       -1.868   1.835   0.154  0.00  0.00    +0.013 A 
ENDBRANCH  19  23
BRANCH  20  29
ATOM     29  C   LIG    1       -5.311   1.266   0.730  0.00  0.00    +0.340 C 
ATOM     30  O   LIG    1       -4.897   2.345   0.334  0.00  0.00    -0.245 OA
BRANCH  29  31
ATOM     31  O   LIG    1       -6.591   1.158   1.150  0.00  0.00    -0.477 OA
ATOM     32  H   LIG    1       -6.947   2.061   1.014  0.00  0.00    +0.295 HD
ENDBRANCH  29  31
ENDBRANCH  20  29
ENDBRANCH   3  18
TORSDOF 6