REMARK  Name = BDB054114
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.585  -1.704   0.600  0.00  0.00    +0.234 C 
ATOM      2  N   LIG    1       -0.648  -1.400  -0.371  0.00  0.00    -0.310 N 
ATOM      3  H   LIG    1       -0.971  -0.731  -1.060  0.00  0.00    +0.149 HD
ATOM      4  O   LIG    1       -1.300  -2.282   1.646  0.00  0.00    -0.274 OA
ENDROOT
BRANCH   2   5
ATOM      5  C   LIG    1        0.782  -1.473  -0.098  0.00  0.00    +0.087 C 
ATOM      6  C   LIG    1        1.251  -0.312   0.812  0.00  0.00    +0.106 C 
ATOM      7  N   LIG    1        2.715  -0.298   1.029  0.00  0.00    -0.300 NA
ATOM      8  C   LIG    1        3.430  -0.234  -0.252  0.00  0.00    +0.084 C 
ATOM      9  C   LIG    1        3.055  -1.407  -1.161  0.00  0.00    +0.017 C 
ATOM     10  C   LIG    1        1.556  -1.463  -1.417  0.00  0.00    +0.025 C 
BRANCH   7  11
ATOM     11  C   LIG    1        3.064   0.825   1.926  0.00  0.00    +0.089 C 
BRANCH  11  12
ATOM     12  C   LIG    1        4.504   0.805   2.483  0.00  0.00    +0.050 C 
BRANCH  12  13
ATOM     13  C   LIG    1        5.545   1.531   1.659  0.00  0.00    -0.046 A 
ATOM     14  C   LIG    1        6.703   0.862   1.238  0.00  0.00    +0.003 A 
ATOM     15  C   LIG    1        7.679   1.528   0.494  0.00  0.00    +0.000 A 
ATOM     16  C   LIG    1        7.513   2.873   0.172  0.00  0.00    +0.000 A 
ATOM     17  C   LIG    1        6.375   3.554   0.599  0.00  0.00    +0.000 A 
ATOM     18  C   LIG    1        5.399   2.889   1.343  0.00  0.00    +0.003 A 
ENDBRANCH  12  13
ENDBRANCH  11  12
ENDBRANCH   7  11
ENDBRANCH   2   5
BRANCH   1  19
ATOM     19  C   LIG    1       -3.050  -1.388   0.190  0.00  0.00    +0.164 C 
BRANCH  19  21
ATOM     20  C   LIG    1       -2.868   1.036  -0.320  0.00  0.00    +0.230 C 
ATOM     21  N   LIG    1       -3.071  -0.263  -0.763  0.00  0.00    -0.302 N 
ATOM     22  H   LIG    1       -3.743  -0.286  -1.527  0.00  0.00    +0.150 HD
ATOM     23  O   LIG    1       -2.372   1.307   0.767  0.00  0.00    -0.274 OA
BRANCH  20  24
ATOM     24  C   LIG    1       -3.259   2.088  -1.381  0.00  0.00    +0.137 C 
ATOM     25  C   LIG    1       -3.313   3.498  -0.801  0.00  0.00    +0.034 C 
BRANCH  24  27
ATOM     26  C   LIG    1       -5.703   1.768  -1.276  0.00  0.00    +0.101 C 
ATOM     27  N   LIG    1       -4.496   1.667  -2.095  0.00  0.00    -0.309 NA
ATOM     28  H   LIG    1       -4.616   2.280  -2.904  0.00  0.00    +0.122 HD
ENDBRANCH  24  27
ENDBRANCH  20  24
ENDBRANCH  19  21
BRANCH  19  29
ATOM     29  C   LIG    1       -3.798  -2.644  -0.371  0.00  0.00    -0.011 C 
ATOM     30  C   LIG    1       -3.184  -3.150  -1.690  0.00  0.00    +0.013 C 
ATOM     31  C   LIG    1       -5.284  -2.297  -0.620  0.00  0.00    +0.013 C 
ATOM     32  C   LIG    1       -3.771  -3.798   0.654  0.00  0.00    +0.013 C 
ENDBRANCH  19  29
ENDBRANCH   1  19
TORSDOF 9