REMARK  Name = BDB020981
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.371   0.922  -0.443  0.00  0.00    +0.003 A 
ATOM      2  C   LIG    1       -1.654   0.353  -0.348  0.00  0.00    +0.022 A 
ATOM      3  C   LIG    1       -2.639   0.948   0.469  0.00  0.00    +0.028 A 
ATOM      4  C   LIG    1       -3.995   0.694   0.822  0.00  0.00    +0.103 A 
ATOM      5  N   LIG    1       -4.461   1.590   1.703  0.00  0.00    -0.170 NA
ATOM      6  N   LIG    1       -3.428   2.429   1.888  0.00  0.00    -0.266 N 
ATOM      7  C   LIG    1       -3.579   3.552   2.782  0.00  0.00    +0.173 C 
ATOM      8  C   LIG    1       -2.302   2.100   1.177  0.00  0.00    +0.069 A 
ATOM      9  C   LIG    1       -1.039   2.702   1.090  0.00  0.00    +0.028 A 
ATOM     10  C   LIG    1       -0.086   2.096   0.262  0.00  0.00    +0.012 A 
ENDROOT
BRANCH   1  22
ATOM     11  C   LIG    1        7.175  -0.423   2.011  0.00  0.00    +0.129 C 
ATOM     12  N   LIG    1        6.250  -0.489   0.905  0.00  0.00    -0.302 N 
ATOM     13  H   LIG    1        6.211  -1.378   0.431  0.00  0.00    +0.150 HD
ATOM     14  C   LIG    1        5.022   0.115   1.022  0.00  0.00    +0.302 C 
ATOM     15  N   LIG    1        4.197  -0.047  -0.084  0.00  0.00    -0.278 N 
ATOM     16  C   LIG    1        2.876   0.575   0.031  0.00  0.00    +0.164 C 
ATOM     17  C   LIG    1        1.972   0.138  -1.067  0.00  0.00    +0.064 A 
ATOM     18  N   LIG    1        2.424  -0.573  -2.151  0.00  0.00    -0.331 N 
ATOM     19  C   LIG    1        1.371  -0.851  -2.963  0.00  0.00    +0.200 A 
ATOM     20  N   LIG    1        0.257  -0.360  -2.471  0.00  0.00    -0.235 NA
ATOM     21  C   LIG    1        3.792  -1.003  -2.326  0.00  0.00    +0.142 C 
ATOM     22  C   LIG    1        0.613   0.274  -1.296  0.00  0.00    +0.094 A 
ATOM     23  C   LIG    1        4.727  -0.180  -1.448  0.00  0.00    +0.131 C 
ATOM     24  O   LIG    1        4.685   0.737   2.025  0.00  0.00    -0.253 OA
ENDBRANCH   1  22
BRANCH   4  25
ATOM     25  C   LIG    1       -4.835  -0.395   0.330  0.00  0.00    +0.040 A 
ATOM     26  C   LIG    1       -4.685  -1.231  -0.752  0.00  0.00    +0.118 A 
ATOM     27  N   LIG    1       -5.774  -2.055  -0.745  0.00  0.00    -0.274 N 
ATOM     28  C   LIG    1       -6.072  -3.105  -1.688  0.00  0.00    +0.172 C 
ATOM     29  N   LIG    1       -6.628  -1.812   0.266  0.00  0.00    -0.179 NA
ATOM     30  C   LIG    1       -6.056  -0.791   0.914  0.00  0.00    +0.144 A 
ENDBRANCH   4  25
TORSDOF 2