REMARK  Name = BDB020189
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.973   1.488  -1.282  0.00  0.00    +0.026 C 
ATOM      2  C   LIG    1       -0.540   0.324  -0.356  0.00  0.00    +0.072 C 
ATOM      3  C   LIG    1       -1.075  -0.940  -1.056  0.00  0.00    +0.230 C 
ATOM      4  O   LIG    1       -0.452  -1.570  -1.914  0.00  0.00    -0.274 OA
ATOM      5  N   LIG    1       -2.360  -1.329  -0.747  0.00  0.00    -0.256 N 
ATOM      6  H   LIG    1       -2.688  -2.157  -1.222  0.00  0.00    +0.157 HD
ATOM      7  C   LIG    1       -3.200  -0.828   0.213  0.00  0.00    +0.219 C 
ATOM      8  O   LIG    1       -4.299  -1.336   0.417  0.00  0.00    -0.275 OA
ATOM      9  C   LIG    1       -2.737   0.405   0.945  0.00  0.00    +0.097 C 
ATOM     10  C   LIG    1       -1.221   0.465   1.028  0.00  0.00    +0.030 C 
ENDROOT
BRANCH   2  11
ATOM     11  C   LIG    1        0.989   0.276  -0.109  0.00  0.00    -0.012 A 
ATOM     12  C   LIG    1        1.621  -0.874   0.422  0.00  0.00    +0.029 A 
ATOM     13  C   LIG    1        3.009  -0.880   0.637  0.00  0.00    +0.023 A 
ATOM     14  C   LIG    1        3.775   0.257   0.401  0.00  0.00    +0.002 A 
ATOM     15  C   LIG    1        3.164   1.409  -0.073  0.00  0.00    +0.000 A 
ATOM     16  C   LIG    1        1.790   1.418  -0.324  0.00  0.00    +0.006 A 
BRANCH  12  17
ATOM     17  N   LIG    1        0.914  -2.087   0.579  0.00  0.00    -0.358 N 
ATOM     18  H   LIG    1        1.426  -2.759   1.144  0.00  0.00    +0.142 HD
ATOM     19  H   LIG    1        0.761  -2.493  -0.351  0.00  0.00    +0.142 HD
ENDBRANCH  12  17
ENDBRANCH   2  11
TORSDOF 2