REMARK  Name = BDB062897
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -0.565  -0.051  -1.978  0.00  0.00    -0.270 OA
ATOM      2  C   LIG    1       -0.162   0.123  -0.837  0.00  0.00    +0.246 C 
ATOM      3  N   LIG    1       -0.654  -0.501   0.287  0.00  0.00    -0.295 N 
ATOM      4  H   LIG    1       -0.376  -0.135   1.187  0.00  0.00    +0.150 HD
ENDROOT
BRANCH   2   5
ATOM      5  C   LIG    1        0.890   1.120  -0.575  0.00  0.00    +0.045 A 
ATOM      6  C   LIG    1        2.140   0.794  -0.070  0.00  0.00    +0.006 A 
ATOM      7  C   LIG    1        2.805  -0.462   0.241  0.00  0.00    -0.006 A 
ATOM      8  C   LIG    1        4.080  -0.191   0.770  0.00  0.00    +0.030 A 
ATOM      9  C   LIG    1        4.262   1.273   0.780  0.00  0.00    +0.194 C 
ATOM     10  O   LIG    1        5.233   1.884   1.171  0.00  0.00    -0.287 OA
ATOM     11  C   LIG    1        4.973  -1.167   1.168  0.00  0.00    +0.012 A 
ATOM     12  C   LIG    1        4.570  -2.492   1.019  0.00  0.00    +0.001 A 
ATOM     13  C   LIG    1        3.310  -2.796   0.473  0.00  0.00    +0.001 A 
ATOM     14  C   LIG    1        2.424  -1.783   0.076  0.00  0.00    +0.009 A 
ATOM     15  C   LIG    1        3.023   1.852   0.223  0.00  0.00    +0.031 A 
ATOM     16  C   LIG    1        2.733   3.189   0.010  0.00  0.00    +0.012 A 
ATOM     17  C   LIG    1        1.486   3.494  -0.531  0.00  0.00    +0.001 A 
ATOM     18  C   LIG    1        0.570   2.469  -0.821  0.00  0.00    +0.014 A 
ENDBRANCH   2   5
BRANCH   3  19
ATOM     19  CA  LIG    1       -1.894  -1.276   0.252  0.00  0.00    +0.213 C 
BRANCH  19  20
ATOM     20  C   LIG    1       -3.109  -0.360   0.187  0.00  0.00    -0.016 A 
ATOM     21  C   LIG    1       -3.758   0.020   1.376  0.00  0.00    +0.006 A 
ATOM     22  C   LIG    1       -4.852   0.887   1.348  0.00  0.00    +0.000 A 
ATOM     23  C   LIG    1       -5.310   1.395   0.135  0.00  0.00    +0.000 A 
ATOM     24  C   LIG    1       -4.673   1.038  -1.050  0.00  0.00    +0.000 A 
ATOM     25  C   LIG    1       -3.579   0.171  -1.024  0.00  0.00    +0.006 A 
ENDBRANCH  19  20
BRANCH  19  26
ATOM     26  C   LIG    1       -1.843  -2.466  -0.726  0.00  0.00    +0.330 C 
ATOM     27  O   LIG    1       -0.846  -3.122  -1.004  0.00  0.00    -0.249 OA
BRANCH  26  28
ATOM     28  OXT LIG    1       -3.039  -2.862  -1.209  0.00  0.00    -0.479 OA
ATOM     29  HXT LIG    1       -2.814  -3.607  -1.805  0.00  0.00    +0.295 HD
ENDBRANCH  26  28
ENDBRANCH  19  26
ENDBRANCH   3  19
TORSDOF 5