REMARK  Name = BDB047650
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        3.363   0.192  -0.203  0.00  0.00    +0.060 A 
ATOM      2  C   LIG    1        2.109  -0.416  -0.389  0.00  0.00    +0.025 A 
ATOM      3  C   LIG    1        0.940   0.238   0.053  0.00  0.00    +0.009 A 
ATOM      4  C   LIG    1        1.068   1.482   0.671  0.00  0.00    +0.048 A 
ATOM      5  N   LIG    1       -0.198   1.902   1.008  0.00  0.00    -0.354 N 
ATOM      6  H   LIG    1       -0.409   2.775   1.470  0.00  0.00    +0.166 HD
ATOM      7  C   LIG    1       -1.140   0.979   0.626  0.00  0.00    +0.051 A 
ATOM      8  C   LIG    1       -2.534   0.985   0.760  0.00  0.00    -0.020 A 
ATOM      9  C   LIG    1       -3.451   1.991   1.398  0.00  0.00    +0.038 C 
ATOM     10  C   LIG    1       -4.805   1.577   0.807  0.00  0.00    +0.009 C 
ATOM     11  C   LIG    1       -4.730   0.065   0.542  0.00  0.00    +0.036 C 
ATOM     12  C   LIG    1       -3.269  -0.109   0.280  0.00  0.00    -0.030 A 
ATOM     13  C   LIG    1       -2.610  -1.162  -0.299  0.00  0.00    +0.045 A 
ATOM     14  C   LIG    1       -3.135  -2.416  -0.853  0.00  0.00    +0.245 C 
ATOM     15  O   LIG    1       -4.299  -2.757  -0.894  0.00  0.00    -0.270 OA
ATOM     16  N   LIG    1       -2.051  -3.130  -1.315  0.00  0.00    -0.307 N 
ATOM     17  H   LIG    1       -2.167  -4.039  -1.741  0.00  0.00    +0.149 HD
ATOM     18  C   LIG    1       -0.796  -2.451  -1.111  0.00  0.00    +0.141 C 
ATOM     19  C   LIG    1       -1.214  -1.174  -0.443  0.00  0.00    -0.008 A 
ATOM     20  C   LIG    1        2.304   2.108   0.869  0.00  0.00    +0.027 A 
ATOM     21  C   LIG    1       -0.453  -0.085   0.025  0.00  0.00    +0.013 A 
ATOM     22  C   LIG    1        3.450   1.442   0.421  0.00  0.00    +0.017 A 
ENDROOT
BRANCH   1  23
ATOM     23  C   LIG    1        4.563  -0.542  -0.689  0.00  0.00    +0.339 C 
ATOM     24  O   LIG    1        4.509  -1.633  -1.235  0.00  0.00    -0.245 OA
BRANCH  23  26
ATOM     25  C   LIG    1        6.889  -0.480  -0.884  0.00  0.00    +0.280 C 
ATOM     26  O   LIG    1        5.694   0.165  -0.442  0.00  0.00    -0.464 OA
ENDBRANCH  23  26
ENDBRANCH   1  23
TORSDOF 2