REMARK  Name = BDB044010
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.324  -0.046   0.134  0.00  0.00    +0.107 A 
ATOM      2  N   LIG    1       -1.515   0.671   0.274  0.00  0.00    -0.338 N 
ATOM      3  C   LIG    1       -1.568   2.086   0.584  0.00  0.00    +0.149 C 
ATOM      4  C   LIG    1       -2.590  -0.142  -0.026  0.00  0.00    +0.074 A 
ATOM      5  C   LIG    1       -2.062  -1.300  -0.554  0.00  0.00    +0.068 A 
ATOM      6  N   LIG    1       -2.868  -2.282  -1.076  0.00  0.00    -0.320 N 
ATOM      7  H   LIG    1       -2.466  -3.118  -1.475  0.00  0.00    +0.169 HD
ATOM      8  C   LIG    1       -4.241  -2.149  -1.130  0.00  0.00    +0.257 A 
ATOM      9  C   LIG    1       -4.855  -0.929  -0.511  0.00  0.00    +0.048 A 
ATOM     10  C   LIG    1       -6.252  -0.820  -0.482  0.00  0.00    +0.014 A 
ATOM     11  C   LIG    1       -6.849   0.267   0.151  0.00  0.00    +0.001 A 
ATOM     12  C   LIG    1       -6.054   1.231   0.768  0.00  0.00    +0.001 A 
ATOM     13  C   LIG    1       -4.658   1.127   0.738  0.00  0.00    +0.011 A 
ATOM     14  O   LIG    1       -4.937  -3.015  -1.654  0.00  0.00    -0.267 OA
ATOM     15  C   LIG    1       -4.038   0.066   0.072  0.00  0.00    +0.013 A 
ATOM     16  C   LIG    1       -0.667  -1.267  -0.435  0.00  0.00    +0.058 A 
ENDROOT
BRANCH   1  19
ATOM     17  N   LIG    1        2.048  -0.212  -0.061  0.00  0.00    -0.309 N 
ATOM     18  H   LIG    1        1.846  -0.767  -0.880  0.00  0.00    +0.149 HD
ATOM     19  C   LIG    1        0.988   0.443   0.531  0.00  0.00    +0.261 C 
ATOM     20  O   LIG    1        1.155   1.372   1.315  0.00  0.00    -0.269 OA
BRANCH  17  21
ATOM     21  C   LIG    1        3.409   0.263   0.120  0.00  0.00    +0.120 C 
BRANCH  21  22
ATOM     22  C   LIG    1        4.444  -0.801  -0.288  0.00  0.00    +0.102 C 
BRANCH  22  24
ATOM     23  C   LIG    1        6.271  -0.206   1.210  0.00  0.00    +0.104 C 
ATOM     24  N   LIG    1        5.867  -0.450  -0.173  0.00  0.00    -0.307 NA
ATOM     25  C   LIG    1        6.243   0.671  -1.031  0.00  0.00    +0.104 C 
ENDBRANCH  22  24
ENDBRANCH  21  22
ENDBRANCH  17  21
ENDBRANCH   1  19
TORSDOF 4