REMARK  Name = BDB008461
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -5.254  -0.780   2.911  0.00  0.00    -0.266 OA
ATOM      2  C   LIG    1       -4.218  -0.558   2.274  0.00  0.00    +0.272 A 
ATOM      3  C   LIG    1       -4.352  -0.224   0.846  0.00  0.00    +0.050 A 
ATOM      4  C   LIG    1       -3.238   0.035   0.054  0.00  0.00    +0.021 A 
ATOM      5  C   LIG    1       -3.390   0.338  -1.302  0.00  0.00    +0.048 A 
ATOM      6  C   LIG    1       -4.645   0.401  -1.916  0.00  0.00    +0.026 A 
ATOM      7  C   LIG    1       -5.762   0.146  -1.114  0.00  0.00    +0.003 A 
ATOM      8  N   LIG    1       -2.124   0.528  -1.824  0.00  0.00    -0.356 N 
ATOM      9  H   LIG    1       -1.927   0.745  -2.792  0.00  0.00    +0.166 HD
ATOM     10  C   LIG    1       -1.198   0.359  -0.832  0.00  0.00    +0.040 A 
ATOM     11  C   LIG    1        0.281   0.463  -0.970  0.00  0.00    +0.139 C 
ATOM     12  N   LIG    1        0.906  -0.329   0.106  0.00  0.00    -0.288 NA
ATOM     13  C   LIG    1        0.372   0.015   1.457  0.00  0.00    +0.143 C 
ATOM     14  C   LIG    1       -1.157  -0.177   1.543  0.00  0.00    +0.085 A 
ATOM     15  N   LIG    1       -1.695  -0.473   2.683  0.00  0.00    -0.174 NA
ATOM     16  C   LIG    1       -1.873   0.059   0.329  0.00  0.00    +0.029 A 
ATOM     17  C   LIG    1       -5.622  -0.162   0.241  0.00  0.00    +0.014 A 
ATOM     18  N   LIG    1       -3.021  -0.643   2.958  0.00  0.00    -0.242 N 
ATOM     19  H   LIG    1       -3.182  -0.889   3.932  0.00  0.00    +0.192 HD
ENDROOT
BRANCH  12  20
ATOM     20  C   LIG    1        2.382  -0.348   0.088  0.00  0.00    +0.057 C 
ATOM     21  C   LIG    1        3.059   0.995   0.449  0.00  0.00    +0.019 C 
ATOM     22  C   LIG    1        4.511   1.099  -0.033  0.00  0.00    +0.002 C 
ATOM     23  C   LIG    1        5.183  -0.263  -0.132  0.00  0.00    +0.000 C 
ATOM     24  C   LIG    1        4.459  -1.183  -1.115  0.00  0.00    +0.002 C 
ATOM     25  C   LIG    1        2.955  -0.905  -1.226  0.00  0.00    +0.019 C 
ENDBRANCH  12  20
TORSDOF 1