REMARK  Name = BDB050333
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.610  -1.075   0.534  0.00  0.00    -0.044 A 
ATOM      2  C   LIG    1        1.305  -0.850   0.071  0.00  0.00    +0.013 A 
ATOM      3  C   LIG    1        0.355  -0.218   0.884  0.00  0.00    -0.000 A 
ATOM      4  C   LIG    1        0.710   0.190   2.173  0.00  0.00    +0.010 A 
ATOM      5  C   LIG    1        2.006  -0.034   2.642  0.00  0.00    +0.001 A 
ATOM      6  C   LIG    1        2.950  -0.661   1.827  0.00  0.00    +0.004 A 
ENDROOT
BRANCH   3   7
ATOM      7  C   LIG    1       -1.003   0.016   0.345  0.00  0.00    +0.091 C 
ATOM      8  C   LIG    1       -2.115   0.534   1.192  0.00  0.00    +0.107 C 
ATOM      9  C   LIG    1       -3.268   0.152   0.288  0.00  0.00    +0.214 C 
ATOM     10  O   LIG    1       -2.690   0.163  -1.028  0.00  0.00    -0.390 OA
ATOM     11  N   LIG    1       -1.323  -0.178  -0.896  0.00  0.00    -0.089 NA
BRANCH   9  12
ATOM     12  C   LIG    1       -4.424   1.150   0.371  0.00  0.00    +0.082 C 
BRANCH  12  13
ATOM     13  C   LIG    1       -5.699   0.608  -0.234  0.00  0.00    -0.044 A 
ATOM     14  C   LIG    1       -5.867   0.573  -1.624  0.00  0.00    +0.004 A 
ATOM     15  C   LIG    1       -7.039   0.062  -2.183  0.00  0.00    +0.000 A 
ATOM     16  C   LIG    1       -8.054  -0.419  -1.359  0.00  0.00    +0.000 A 
ATOM     17  C   LIG    1       -7.896  -0.392   0.025  0.00  0.00    +0.000 A 
ATOM     18  C   LIG    1       -6.724   0.117   0.587  0.00  0.00    +0.004 A 
ENDBRANCH  12  13
ENDBRANCH   9  12
ENDBRANCH   3   7
BRANCH   1  19
ATOM     19  C   LIG    1        3.638  -1.732  -0.363  0.00  0.00    +0.078 C 
BRANCH  19  20
ATOM     20  C   LIG    1        4.667  -0.765  -0.981  0.00  0.00    +0.230 C 
BRANCH  20  21
ATOM     21  C   LIG    1        3.953   0.354  -1.755  0.00  0.00    +0.334 C 
ATOM     22  O   LIG    1        4.057   1.558  -1.587  0.00  0.00    -0.248 OA
BRANCH  21  23
ATOM     23  O   LIG    1        3.173  -0.120  -2.753  0.00  0.00    -0.479 OA
ATOM     24  H   LIG    1        2.755   0.685  -3.128  0.00  0.00    +0.295 HD
ENDBRANCH  21  23
ENDBRANCH  20  21
BRANCH  20  25
ATOM     25  O   LIG    1        5.559  -0.342   0.053  0.00  0.00    -0.365 OA
BRANCH  25  27
ATOM     26  C   LIG    1        7.610   0.654   0.744  0.00  0.00    +0.034 C 
ATOM     27  C   LIG    1        6.747   0.271  -0.442  0.00  0.00    +0.157 C 
ENDBRANCH  25  27
ENDBRANCH  20  25
ENDBRANCH  19  20
ENDBRANCH   1  19
TORSDOF 9