REMARK  Name = BDB009213
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.245   0.581  -0.923  0.00  0.00    +0.037 A 
ATOM      2  C   LIG    1        0.826   1.254  -0.321  0.00  0.00    +0.017 A 
ATOM      3  C   LIG    1        1.800   1.889  -1.106  0.00  0.00    -0.041 A 
ATOM      4  C   LIG    1        1.667   1.858  -2.503  0.00  0.00    +0.004 A 
ATOM      5  C   LIG    1        0.608   1.176  -3.105  0.00  0.00    +0.001 A 
ATOM      6  C   LIG    1       -0.345   0.530  -2.318  0.00  0.00    +0.013 A 
ENDROOT
BRANCH   1   9
ATOM      7  N   LIG    1       -2.554   0.029  -0.473  0.00  0.00    -0.281 N 
ATOM      8  H   LIG    1       -2.722   0.647  -1.256  0.00  0.00    +0.155 HD
ATOM      9  C   LIG    1       -1.243  -0.096  -0.051  0.00  0.00    +0.248 C 
ATOM     10  O   LIG    1       -0.838  -0.668   0.953  0.00  0.00    -0.270 OA
BRANCH   7  16
ATOM     11  C   LIG    1       -6.138  -0.720   0.085  0.00  0.00    +0.125 A 
ATOM     12  C   LIG    1       -6.090  -1.594   1.183  0.00  0.00    -0.009 A 
ATOM     13  C   LIG    1       -7.348  -2.171   1.769  0.00  0.00    +0.047 C 
ATOM     14  C   LIG    1       -4.848  -1.928   1.738  0.00  0.00    +0.009 A 
ATOM     15  C   LIG    1       -3.665  -1.403   1.211  0.00  0.00    +0.024 A 
ATOM     16  C   LIG    1       -3.704  -0.535   0.122  0.00  0.00    +0.037 A 
ATOM     17  C   LIG    1       -4.947  -0.201  -0.438  0.00  0.00    +0.069 A 
BRANCH  11  19
ATOM     18  C   LIG    1       -7.497   0.472  -1.477  0.00  0.00    +0.277 C 
ATOM     19  O   LIG    1       -7.392  -0.447  -0.398  0.00  0.00    -0.495 OA
ENDBRANCH  11  19
ENDBRANCH   7  16
ENDBRANCH   1   9
BRANCH   3  20
ATOM     20  C   LIG    1        2.949   2.642  -0.474  0.00  0.00    +0.092 C 
BRANCH  20  21
ATOM     21  C   LIG    1        3.616   1.913   0.688  0.00  0.00    +0.069 A 
ATOM     22  C   LIG    1        4.440   0.691   0.425  0.00  0.00    -0.016 A 
ATOM     23  C   LIG    1        4.655   0.187  -0.975  0.00  0.00    +0.037 C 
ATOM     24  C   LIG    1        5.786  -0.841  -1.080  0.00  0.00    +0.005 C 
ATOM     25  C   LIG    1        5.706  -1.861   0.049  0.00  0.00    +0.005 C 
ATOM     26  C   LIG    1        5.796  -1.176   1.414  0.00  0.00    +0.041 C 
ATOM     27  C   LIG    1        4.974   0.081   1.498  0.00  0.00    +0.023 A 
ATOM     28  C   LIG    1        4.761   0.640   2.856  0.00  0.00    +0.268 A 
ATOM     29  O   LIG    1        5.254   0.123   3.853  0.00  0.00    -0.266 OA
ATOM     30  N   LIG    1        3.994   1.771   2.924  0.00  0.00    -0.243 N 
ATOM     31  H   LIG    1        3.828   2.163   3.844  0.00  0.00    +0.192 HD
ATOM     32  N   LIG    1        3.418   2.412   1.872  0.00  0.00    -0.175 NA
ENDBRANCH  20  21
ENDBRANCH   3  20
TORSDOF 5