REMARK  Name = BDB022029
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.826  -0.454  -0.637  0.00  0.00    -0.282 N 
ATOM      2  H   LIG    1       -0.778  -1.461  -0.764  0.00  0.00    +0.155 HD
ATOM      3  C   LIG    1        0.295   0.297  -0.926  0.00  0.00    +0.220 C 
ATOM      4  O   LIG    1        0.394   1.516  -0.837  0.00  0.00    -0.275 OA
ENDROOT
BRANCH   3   5
ATOM      5  C   LIG    1        1.470  -0.573  -1.387  0.00  0.00    +0.078 C 
ATOM      6  C   LIG    1        2.613   0.287  -1.950  0.00  0.00    +0.032 C 
ATOM      7  C   LIG    1        3.551   0.768  -0.848  0.00  0.00    +0.108 C 
ATOM      8  N   LIG    1        4.116  -0.344  -0.081  0.00  0.00    -0.302 N 
ATOM      9  C   LIG    1        5.250  -0.233   0.712  0.00  0.00    +0.212 C 
ATOM     10  O   LIG    1        5.758  -1.196   1.288  0.00  0.00    -0.276 OA
ATOM     11  C   LIG    1        5.863   1.139   0.841  0.00  0.00    +0.109 C 
ATOM     12  C   LIG    1        3.451  -1.638  -0.184  0.00  0.00    +0.108 C 
ATOM     13  C   LIG    1        1.936  -1.482  -0.234  0.00  0.00    +0.032 C 
ENDBRANCH   3   5
BRANCH   1  16
ATOM     14  C   LIG    1       -3.671   1.688   0.535  0.00  0.00    +0.122 A 
ATOM     15  C   LIG    1       -2.401   1.324   0.075  0.00  0.00    +0.072 A 
ATOM     16  C   LIG    1       -2.087  -0.014  -0.173  0.00  0.00    +0.079 A 
ATOM     17  C   LIG    1       -3.063  -1.009   0.045  0.00  0.00    +0.141 A 
ATOM     18  C   LIG    1       -4.330  -0.644   0.504  0.00  0.00    +0.051 A 
ATOM     19  C   LIG    1       -4.632   0.701   0.748  0.00  0.00    +0.049 A 
BRANCH  14  21
ATOM     20  C   LIG    1       -5.114   3.457   1.213  0.00  0.00    +0.277 C 
ATOM     21  O   LIG    1       -3.844   3.030   0.737  0.00  0.00    -0.495 OA
ENDBRANCH  14  21
BRANCH  17  22
ATOM     22  O   LIG    1       -2.663  -2.298  -0.226  0.00  0.00    -0.493 OA
ATOM     23  C   LIG    1       -3.615  -3.331   0.002  0.00  0.00    +0.277 C 
ENDBRANCH  17  22
ENDBRANCH   1  16
TORSDOF 4