REMARK  Name = BDB002765
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -1.990   0.199  -0.572  0.00  0.00    -0.275 N 
ATOM      2  C   LIG    1       -2.773  -0.869  -1.008  0.00  0.00    +0.262 A 
ATOM      3  O   LIG    1       -2.320  -1.899  -1.500  0.00  0.00    -0.267 OA
ATOM      4  C   LIG    1       -4.239  -0.736  -0.845  0.00  0.00    +0.048 A 
ATOM      5  C   LIG    1       -4.769   0.397  -0.218  0.00  0.00    +0.007 A 
ATOM      6  C   LIG    1       -6.172   0.511  -0.068  0.00  0.00    -0.016 A 
ATOM      7  C   LIG    1       -7.003  -0.512  -0.552  0.00  0.00    +0.008 A 
ATOM      8  C   LIG    1       -6.461  -1.637  -1.174  0.00  0.00    +0.001 A 
ATOM      9  C   LIG    1       -6.707   1.645   0.563  0.00  0.00    +0.008 A 
ATOM     10  C   LIG    1       -5.874   2.655   1.045  0.00  0.00    +0.001 A 
ATOM     11  C   LIG    1       -4.494   2.542   0.899  0.00  0.00    +0.014 A 
ATOM     12  C   LIG    1       -3.945   1.417   0.269  0.00  0.00    +0.048 A 
ATOM     13  C   LIG    1       -5.081  -1.751  -1.320  0.00  0.00    +0.014 A 
ATOM     14  C   LIG    1       -2.476   1.309   0.119  0.00  0.00    +0.262 A 
ATOM     15  O   LIG    1       -1.757   2.176   0.611  0.00  0.00    -0.267 OA
ENDROOT
BRANCH   1  16
ATOM     16  C   LIG    1       -0.540   0.090  -0.728  0.00  0.00    +0.129 C 
BRANCH  16  17
ATOM     17  C   LIG    1        0.103  -0.622   0.469  0.00  0.00    +0.031 C 
BRANCH  17  18
ATOM     18  C   LIG    1        1.587  -0.290   0.632  0.00  0.00    +0.097 C 
BRANCH  18  20
ATOM     19  O   LIG    1        2.033  -1.471  -1.432  0.00  0.00    -0.276 OA
ATOM     20  C   LIG    1        2.462  -0.809  -0.492  0.00  0.00    +0.213 C 
ATOM     21  N   LIG    1        3.796  -0.523  -0.433  0.00  0.00    -0.311 N 
ATOM     22  H   LIG    1        4.312  -0.839  -1.246  0.00  0.00    +0.149 HD
BRANCH  21  23
ATOM     23  C   LIG    1        4.450   0.374   0.494  0.00  0.00    +0.141 C 
BRANCH  23  24
ATOM     24  C   LIG    1        5.942   0.280   0.392  0.00  0.00    -0.012 A 
ATOM     25  C   LIG    1        6.707   1.367  -0.020  0.00  0.00    +0.115 A 
ATOM     26  N   LIG    1        8.055   1.349  -0.128  0.00  0.00    -0.263 NA
ATOM     27  C   LIG    1        8.675   0.193   0.189  0.00  0.00    +0.111 A 
ATOM     28  C   LIG    1        8.010  -0.946   0.610  0.00  0.00    +0.020 A 
ATOM     29  C   LIG    1        6.623  -0.899   0.713  0.00  0.00    +0.008 A 
ENDBRANCH  23  24
ENDBRANCH  21  23
ENDBRANCH  18  20
ENDBRANCH  17  18
ENDBRANCH  16  17
ENDBRANCH   1  16
TORSDOF 6