REMARK  Name = BDB012969
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.095   0.679   1.828  0.00  0.00    +0.264 C 
ATOM      2  N   LIG    1        0.167   0.145   0.953  0.00  0.00    -0.294 N 
ATOM      3  C   LIG    1       -1.239   0.102   1.323  0.00  0.00    +0.130 C 
ATOM      4  C   LIG    1       -1.927  -0.645   0.178  0.00  0.00    +0.092 C 
ATOM      5  C   LIG    1       -1.054  -0.274  -1.021  0.00  0.00    +0.043 C 
ATOM      6  C   LIG    1        0.349  -0.270  -0.429  0.00  0.00    +0.110 C 
ATOM      7  O   LIG    1        0.722   1.181   2.889  0.00  0.00    -0.268 OA
ENDROOT
BRANCH   1  12
ATOM      8  C   LIG    1        4.614   0.439   0.809  0.00  0.00    +0.066 A 
ATOM      9  N   LIG    1        4.654   1.357   1.781  0.00  0.00    -0.178 NA
ATOM     10  N   LIG    1        3.381   1.446   2.193  0.00  0.00    -0.272 N 
ATOM     11  H   LIG    1        3.155   2.069   2.963  0.00  0.00    +0.189 HD
ATOM     12  C   LIG    1        2.499   0.664   1.492  0.00  0.00    +0.121 A 
ATOM     13  C   LIG    1        3.293  -0.029   0.600  0.00  0.00    +0.057 A 
BRANCH   8  15
ATOM     14  C   LIG    1        6.508   1.174  -0.667  0.00  0.00    +0.014 C 
ATOM     15  C   LIG    1        5.861   0.011   0.089  0.00  0.00    +0.033 C 
ATOM     16  C   LIG    1        6.869  -0.643   1.037  0.00  0.00    +0.014 C 
ENDBRANCH   8  15
ENDBRANCH   1  12
BRANCH   4  17
ATOM     17  N   LIG    1       -3.317  -0.288  -0.009  0.00  0.00    -0.310 N 
ATOM     18  H   LIG    1       -3.636   0.639   0.244  0.00  0.00    +0.149 HD
ATOM     19  C   LIG    1       -4.149  -1.061  -0.780  0.00  0.00    +0.219 C 
ATOM     20  O   LIG    1       -3.837  -2.122  -1.301  0.00  0.00    -0.275 OA
BRANCH  19  21
ATOM     21  C   LIG    1       -5.514  -0.473  -0.989  0.00  0.00    +0.044 C 
ATOM     22  C   LIG    1       -6.701  -1.319  -0.554  0.00  0.00    +0.017 C 
ATOM     23  C   LIG    1       -6.339  -0.096   0.233  0.00  0.00    +0.017 C 
ATOM     24  C   LIG    1       -5.694   0.354  -2.238  0.00  0.00    +0.021 C 
ENDBRANCH  19  21
ENDBRANCH   4  17
TORSDOF 4