REMARK  Name = BDB001728
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.934   1.269  -0.345  0.00  0.00    -0.047 A 
ATOM      2  C   LIG    1       -0.577  -0.066  -0.121  0.00  0.00    +0.004 A 
ATOM      3  C   LIG    1       -1.446  -1.102  -0.468  0.00  0.00    +0.004 A 
ATOM      4  C   LIG    1       -2.689  -0.821  -1.048  0.00  0.00    -0.045 A 
ATOM      5  C   LIG    1       -3.048   0.513  -1.271  0.00  0.00    +0.004 A 
ATOM      6  C   LIG    1       -2.178   1.548  -0.924  0.00  0.00    +0.004 A 
ENDROOT
BRANCH   1   7
ATOM      7  C   LIG    1        0.013   2.386   0.018  0.00  0.00    +0.035 C 
BRANCH   7   8
ATOM      8  C   LIG    1        0.758   2.973  -1.187  0.00  0.00    +0.011 C 
BRANCH   8   9
ATOM      9  C   LIG    1        1.770   2.024  -1.837  0.00  0.00    +0.059 C 
BRANCH   9  12
ATOM     10  C   LIG    1        4.649   3.692  -1.271  0.00  0.00    +0.088 C 
ATOM     11  C   LIG    1        4.095   2.428  -0.759  0.00  0.00    +0.126 A 
ATOM     12  C   LIG    1        2.933   1.715  -0.962  0.00  0.00    +0.083 A 
ATOM     13  N   LIG    1        2.958   0.572  -0.195  0.00  0.00    -0.214 NA
ATOM     14  C   LIG    1        4.114   0.627   0.440  0.00  0.00    +0.228 A 
ATOM     15  O   LIG    1        4.859   1.738   0.139  0.00  0.00    -0.440 OA
BRANCH  14  16
ATOM     16  C   LIG    1        4.686  -0.315   1.398  0.00  0.00    +0.037 A 
ATOM     17  C   LIG    1        5.941  -0.104   1.990  0.00  0.00    +0.013 A 
ATOM     18  C   LIG    1        6.462  -1.023   2.906  0.00  0.00    +0.001 A 
ATOM     19  C   LIG    1        5.735  -2.164   3.241  0.00  0.00    +0.000 A 
ATOM     20  C   LIG    1        4.488  -2.388   2.662  0.00  0.00    +0.001 A 
ATOM     21  C   LIG    1        3.968  -1.469   1.747  0.00  0.00    +0.013 A 
ENDBRANCH  14  16
ENDBRANCH   9  12
ENDBRANCH   8   9
ENDBRANCH   7   8
ENDBRANCH   1   7
BRANCH   4  22
ATOM     22  C   LIG    1       -3.638  -1.943  -1.404  0.00  0.00    +0.075 C 
BRANCH  22  23
ATOM     23  C   LIG    1       -4.461  -2.433  -0.205  0.00  0.00    +0.240 C 
BRANCH  23  24
ATOM     24  N   LIG    1       -5.506  -1.512   0.210  0.00  0.00    -0.169 N 
ATOM     25  N   LIG    1       -6.242  -0.797  -0.676  0.00  0.00    -0.160 NA
ATOM     26  C   LIG    1       -7.044  -0.105   0.137  0.00  0.00    +0.156 A 
ATOM     27  C   LIG    1       -6.750  -0.409   1.471  0.00  0.00    +0.156 A 
ATOM     28  N   LIG    1       -5.758  -1.303   1.526  0.00  0.00    -0.160 NA
ENDBRANCH  23  24
BRANCH  23  29
ATOM     29  C   LIG    1       -5.067  -3.780  -0.512  0.00  0.00    +0.332 C 
ATOM     30  O   LIG    1       -6.237  -4.074  -0.692  0.00  0.00    -0.249 OA
BRANCH  29  31
ATOM     31  O   LIG    1       -4.132  -4.760  -0.584  0.00  0.00    -0.479 OA
ATOM     32  H   LIG    1       -4.655  -5.570  -0.768  0.00  0.00    +0.295 HD
ENDBRANCH  29  31
ENDBRANCH  23  29
ENDBRANCH  22  23
ENDBRANCH   4  22
TORSDOF 10