REMARK  Name = BDB002123
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.276  -0.560  -0.170  0.00  0.00    +0.048 A 
ATOM      2  C   LIG    1        1.605  -0.319  -0.809  0.00  0.00    +0.276 A 
ATOM      3  O   LIG    1        1.849  -0.655  -1.957  0.00  0.00    -0.266 OA
ATOM      4  N   LIG    1        2.391   0.322   0.144  0.00  0.00    -0.219 N 
ATOM      5  N   LIG    1        1.662   0.438   1.333  0.00  0.00    -0.294 N 
ATOM      6  H   LIG    1        1.628   1.392   1.696  0.00  0.00    +0.187 HD
ATOM      7  C   LIG    1        0.391  -0.062   1.075  0.00  0.00    +0.039 A 
ATOM      8  C   LIG    1       -0.638  -0.014   2.155  0.00  0.00    +0.065 C 
ENDROOT
BRANCH   4   9
ATOM      9  C   LIG    1        3.741   0.726   0.078  0.00  0.00    +0.067 A 
ATOM     10  C   LIG    1        4.460   0.663  -1.123  0.00  0.00    +0.028 A 
ATOM     11  C   LIG    1        5.795   1.077  -1.185  0.00  0.00    +0.002 A 
ATOM     12  C   LIG    1        6.434   1.557  -0.045  0.00  0.00    +0.000 A 
ATOM     13  C   LIG    1        5.739   1.621   1.158  0.00  0.00    +0.002 A 
ATOM     14  C   LIG    1        4.404   1.208   1.219  0.00  0.00    +0.028 A 
ENDBRANCH   4   9
BRANCH   1  15
ATOM     15  C   LIG    1       -0.837  -1.180  -0.970  0.00  0.00    +0.082 C 
BRANCH  15  20
ATOM     16  C   LIG    1       -6.005   1.470  -0.120  0.00  0.00    +0.044 C 
ATOM     17  C   LIG    1       -4.699   0.774  -0.360  0.00  0.00    -0.050 A 
ATOM     18  C   LIG    1       -4.574  -0.599  -0.134  0.00  0.00    +0.003 A 
ATOM     19  C   LIG    1       -3.349  -1.251  -0.326  0.00  0.00    +0.004 A 
ATOM     20  C   LIG    1       -2.209  -0.542  -0.726  0.00  0.00    -0.038 A 
ATOM     21  C   LIG    1       -2.352   0.842  -0.953  0.00  0.00    +0.004 A 
ATOM     22  C   LIG    1       -3.574   1.493  -0.763  0.00  0.00    +0.003 A 
ENDBRANCH  15  20
BRANCH  15  23
ATOM     23  C   LIG    1       -0.738  -2.713  -1.037  0.00  0.00    +0.224 C 
BRANCH  23  24
ATOM     24  N   LIG    1       -0.573  -3.322   0.324  0.00  0.00    +0.023 N 
ATOM     25  O   LIG    1        0.582  -3.538   0.710  0.00  0.00    -0.132 OA
ATOM     26  O   LIG    1       -1.599  -3.599   0.956  0.00  0.00    -0.132 OA
ENDBRANCH  23  24
ENDBRANCH  15  23
ENDBRANCH   1  15
TORSDOF 5