REMARK  Name = BDB059690
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.268   0.201  -0.463  0.00  0.00    +0.037 A 
ATOM      2  C   LIG    1        0.269  -0.608  -1.253  0.00  0.00    +0.278 A 
ATOM      3  O   LIG    1        0.552  -1.285  -2.233  0.00  0.00    -0.265 OA
ATOM      4  N   LIG    1       -1.048  -0.534  -0.771  0.00  0.00    -0.177 N 
ATOM      5  C   LIG    1       -1.439   0.200   0.329  0.00  0.00    +0.157 A 
ATOM      6  C   LIG    1       -2.792   0.007   0.459  0.00  0.00    +0.135 A 
ATOM      7  C   LIG    1       -3.140  -0.857  -0.604  0.00  0.00    +0.158 A 
ATOM      8  N   LIG    1       -0.499   0.903   1.002  0.00  0.00    -0.342 N 
ATOM      9  H   LIG    1       -0.731   1.469   1.820  0.00  0.00    +0.167 HD
ATOM     10  N   LIG    1       -2.089  -1.192  -1.347  0.00  0.00    -0.146 NA
ATOM     11  C   LIG    1        0.836   0.907   0.612  0.00  0.00    +0.023 A 
ATOM     12  C   LIG    1        1.752   1.731   1.485  0.00  0.00    +0.064 C 
ENDROOT
BRANCH   7  13
ATOM     13  N   LIG    1       -4.372  -1.312  -0.870  0.00  0.00    -0.341 N 
ATOM     14  H   LIG    1       -4.442  -2.061  -1.554  0.00  0.00    +0.144 HD
ATOM     15  H   LIG    1       -5.112  -1.327  -0.177  0.00  0.00    +0.144 HD
ENDBRANCH   7  13
BRANCH   1  17
ATOM     16  C   LIG    1        3.453  -1.037  -0.474  0.00  0.00    +0.009 C 
ATOM     17  C   LIG    1        2.676   0.162  -1.000  0.00  0.00    +0.039 C 
ENDBRANCH   1  17
BRANCH   6  18
ATOM     18  C   LIG    1       -3.633   0.570   1.456  0.00  0.00    +0.106 C 
ATOM     19  N   LIG    1       -4.302   1.030   2.285  0.00  0.00    -0.191 NA
ENDBRANCH   6  18
TORSDOF 3