REMARK  Name = BDB006921
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.468  -0.914  -0.760  0.00  0.00    +0.234 C 
ATOM      2  N   LIG    1        0.179   0.259  -1.140  0.00  0.00    -0.269 N 
ATOM      3  C   LIG    1        1.467   0.659  -0.730  0.00  0.00    +0.044 A 
ATOM      4  C   LIG    1        1.803   1.870  -1.316  0.00  0.00    -0.001 A 
ATOM      5  C   LIG    1        3.026   2.424  -1.024  0.00  0.00    +0.117 A 
ATOM      6  N   LIG    1        3.906   1.834  -0.189  0.00  0.00    -0.255 NA
ATOM      7  C   LIG    1        3.571   0.639   0.380  0.00  0.00    +0.068 A 
ATOM      8  C   LIG    1        0.725   2.377  -2.231  0.00  0.00    +0.009 C 
ATOM      9  C   LIG    1        0.245   3.776  -1.833  0.00  0.00    +0.017 C 
ATOM     10  C   LIG    1        1.193   2.367  -3.691  0.00  0.00    +0.017 C 
ATOM     11  C   LIG    1        2.347   0.022   0.126  0.00  0.00    +0.051 A 
ATOM     12  C   LIG    1       -0.385   1.319  -1.997  0.00  0.00    +0.124 C 
ATOM     13  O   LIG    1        0.051  -1.771  -0.041  0.00  0.00    -0.274 OA
ENDROOT
BRANCH   7  14
ATOM     14  C   LIG    1        4.592   0.034   1.280  0.00  0.00    -0.026 C 
ATOM     15  C   LIG    1        4.460  -1.431   1.638  0.00  0.00    +0.037 C 
ATOM     16  C   LIG    1        5.731  -2.037   2.244  0.00  0.00    +0.005 C 
ATOM     17  C   LIG    1        6.336  -1.109   3.288  0.00  0.00    +0.004 C 
ATOM     18  C   LIG    1        6.681   0.247   2.676  0.00  0.00    +0.027 C 
ATOM     19  C   LIG    1        5.621   0.768   1.752  0.00  0.00    -0.021 C 
ENDBRANCH   7  14
BRANCH   1  20
ATOM     20  C   LIG    1       -1.896  -1.089  -1.321  0.00  0.00    +0.181 C 
BRANCH  20  22
ATOM     21  C   LIG    1       -2.916  -1.624   0.921  0.00  0.00    +0.097 C 
ATOM     22  N   LIG    1       -2.738  -1.990  -0.515  0.00  0.00    -0.286 NA
ATOM     23  C   LIG    1       -4.016  -2.290  -1.188  0.00  0.00    +0.103 C 
ATOM     24  C   LIG    1       -5.251  -1.523  -0.641  0.00  0.00    +0.065 C 
ATOM     25  C   LIG    1       -6.511  -1.928  -1.408  0.00  0.00    +0.025 C 
ATOM     26  N   LIG    1       -5.477  -1.703   0.806  0.00  0.00    -0.311 NA
ATOM     27  H   LIG    1       -6.225  -2.374   0.974  0.00  0.00    +0.122 HD
ATOM     28  C   LIG    1       -4.262  -2.175   1.484  0.00  0.00    +0.102 C 
BRANCH  21  29
ATOM     29  C   LIG    1       -2.705  -0.145   1.371  0.00  0.00    +0.179 C 
BRANCH  29  31
ATOM     30  C   LIG    1       -3.269   2.122   1.061  0.00  0.00    +0.194 C 
ATOM     31  O   LIG    1       -3.372   0.805   0.539  0.00  0.00    -0.381 OA
ENDBRANCH  29  31
ENDBRANCH  21  29
ENDBRANCH  20  22
ENDBRANCH   1  20
TORSDOF 5