REMARK  Name = BDB022047
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.493  -2.312  -1.772  0.00  0.00    +0.078 C 
ATOM      2  C   LIG    1        0.724  -1.319  -2.918  0.00  0.00    +0.032 C 
ATOM      3  C   LIG    1        0.060   0.032  -2.643  0.00  0.00    +0.110 C 
ATOM      4  N   LIG    1       -1.147  -0.087  -1.836  0.00  0.00    -0.285 N 
ATOM      5  C   LIG    1       -1.806   1.105  -1.514  0.00  0.00    +0.309 C 
ATOM      6  N   LIG    1       -2.788   0.993  -0.525  0.00  0.00    -0.248 N 
ATOM      7  C   LIG    1       -3.868   1.929  -0.407  0.00  0.00    +0.080 A 
ATOM      8  C   LIG    1       -4.614   1.995   0.785  0.00  0.00    +0.142 A 
ATOM      9  C   LIG    1       -5.659   2.914   0.927  0.00  0.00    +0.047 A 
ATOM     10  C   LIG    1       -6.004   3.752  -0.129  0.00  0.00    +0.004 A 
ATOM     11  C   LIG    1       -5.307   3.668  -1.330  0.00  0.00    +0.002 A 
ATOM     12  O   LIG    1       -4.400   1.200   1.885  0.00  0.00    -0.486 OA
ATOM     13  C   LIG    1       -3.595   0.045   1.627  0.00  0.00    +0.188 C 
ATOM     14  C   LIG    1       -4.459  -1.095   1.090  0.00  0.00    +0.053 C 
ATOM     15  C   LIG    1       -4.252   2.759  -1.470  0.00  0.00    +0.027 A 
ATOM     16  C   LIG    1       -2.397   0.373   0.744  0.00  0.00    +0.159 C 
ATOM     17  O   LIG    1       -1.491   2.163  -2.059  0.00  0.00    -0.252 OA
ATOM     18  C   LIG    1       -1.876  -1.342  -1.972  0.00  0.00    +0.110 C 
ATOM     19  C   LIG    1       -1.018  -2.545  -1.573  0.00  0.00    +0.032 C 
ENDROOT
BRANCH   1  22
ATOM     20  N   LIG    1        2.561  -1.780  -0.612  0.00  0.00    -0.285 N 
ATOM     21  H   LIG    1        2.952  -2.106  -1.486  0.00  0.00    +0.155 HD
ATOM     22  C   LIG    1        1.182  -1.848  -0.476  0.00  0.00    +0.220 C 
ATOM     23  O   LIG    1        0.550  -1.607   0.547  0.00  0.00    -0.275 OA
BRANCH  20  27
ATOM     24  C   LIG    1        5.512  -0.527   2.152  0.00  0.00    -0.048 A 
ATOM     25  C   LIG    1        4.159  -0.441   2.499  0.00  0.00    +0.005 A 
ATOM     26  C   LIG    1        3.163  -0.851   1.606  0.00  0.00    +0.023 A 
ATOM     27  C   LIG    1        3.500  -1.351   0.349  0.00  0.00    +0.033 A 
ATOM     28  C   LIG    1        4.854  -1.428  -0.003  0.00  0.00    +0.023 A 
ATOM     29  C   LIG    1        5.851  -1.019   0.888  0.00  0.00    +0.005 A 
BRANCH  24  31
ATOM     30  C   LIG    1        6.907   1.408   2.926  0.00  0.00    +0.009 C 
ATOM     31  C   LIG    1        6.580  -0.066   3.110  0.00  0.00    +0.032 C 
ENDBRANCH  24  31
ENDBRANCH  20  27
ENDBRANCH   1  22
TORSDOF 3