REMARK  Name = BDB054882
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.063   0.725  -0.614  0.00  0.00    -0.281 N 
ATOM      2  H   LIG    1       -0.540   1.397  -1.202  0.00  0.00    +0.155 HD
ATOM      3  C   LIG    1       -0.829   0.060   0.326  0.00  0.00    +0.249 C 
ATOM      4  O   LIG    1       -0.481  -0.878   1.034  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   3   5
ATOM      5  C   LIG    1       -2.224   0.551   0.439  0.00  0.00    +0.051 A 
ATOM      6  C   LIG    1       -3.291  -0.361   0.562  0.00  0.00    +0.075 A 
ATOM      7  C   LIG    1       -4.574   0.149   0.672  0.00  0.00    +0.170 A 
ATOM      8  O   LIG    1       -5.462  -0.874   0.773  0.00  0.00    -0.353 OA
ATOM      9  N   LIG    1       -4.784  -2.079   0.728  0.00  0.00    -0.062 NA
ATOM     10  C   LIG    1       -4.890   1.506   0.679  0.00  0.00    +0.050 A 
ATOM     11  C   LIG    1       -3.819   2.398   0.573  0.00  0.00    +0.004 A 
ATOM     12  C   LIG    1       -3.492  -1.768   0.600  0.00  0.00    +0.167 A 
ATOM     13  C   LIG    1       -2.506   1.934   0.458  0.00  0.00    +0.014 A 
BRANCH  12  14
ATOM     14  N   LIG    1       -2.500  -2.677   0.520  0.00  0.00    -0.340 N 
ATOM     15  H   LIG    1       -2.713  -3.611   0.852  0.00  0.00    +0.144 HD
ATOM     16  H   LIG    1       -1.559  -2.376   0.796  0.00  0.00    +0.144 HD
ENDBRANCH  12  14
ENDBRANCH   3   5
BRANCH   1  19
ATOM     17  C   LIG    1        3.473  -0.540  -0.582  0.00  0.00    -0.032 A 
ATOM     18  C   LIG    1        2.122  -0.379  -0.225  0.00  0.00    +0.028 A 
ATOM     19  C   LIG    1        1.298   0.511  -0.917  0.00  0.00    +0.034 A 
ATOM     20  C   LIG    1        1.842   1.257  -1.970  0.00  0.00    +0.023 A 
ATOM     21  C   LIG    1        3.184   1.114  -2.327  0.00  0.00    +0.002 A 
ATOM     22  C   LIG    1        3.998   0.221  -1.634  0.00  0.00    +0.005 A 
BRANCH  17  23
ATOM     23  C   LIG    1        4.355  -1.488   0.190  0.00  0.00    +0.113 C 
BRANCH  23  24
ATOM     24  N   LIG    1        4.936  -0.837   1.358  0.00  0.00    -0.326 NA
ATOM     25  H   LIG    1        5.421   0.006   1.055  0.00  0.00    +0.119 HD
ATOM     26  H   LIG    1        4.177  -0.515   1.958  0.00  0.00    +0.119 HD
ENDBRANCH  23  24
ENDBRANCH  17  23
ENDBRANCH   1  19
TORSDOF 5