REMARK  Name = BDB013747
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.448  -3.779  -0.262  0.00  0.00    +0.030 C 
ATOM      2  C   LIG    1       -1.553  -2.510   0.584  0.00  0.00    +0.090 C 
ENDROOT
BRANCH   2   3
ATOM      3  N   LIG    1       -2.072  -1.436  -0.290  0.00  0.00    -0.323 N 
ATOM      4  H   LIG    1       -1.438  -1.254  -1.061  0.00  0.00    +0.148 HD
BRANCH   3   5
ATOM      5  C   LIG    1       -2.690  -0.311   0.235  0.00  0.00    +0.147 A 
ATOM      6  C   LIG    1       -2.867   0.890  -0.627  0.00  0.00    +0.029 A 
ATOM      7  C   LIG    1       -3.381   2.040  -0.040  0.00  0.00    +0.051 A 
ATOM      8  C   LIG    1       -3.544   3.211  -0.795  0.00  0.00    +0.014 A 
ATOM      9  C   LIG    1       -3.200   3.224  -2.145  0.00  0.00    +0.001 A 
ATOM     10  C   LIG    1       -2.701   2.069  -2.743  0.00  0.00    +0.001 A 
ATOM     11  C   LIG    1       -3.774   2.018   1.378  0.00  0.00    +0.275 A 
ATOM     12  O   LIG    1       -4.185   3.048   1.907  0.00  0.00    -0.266 OA
ATOM     13  N   LIG    1       -3.658   0.796   2.028  0.00  0.00    -0.230 N 
ATOM     14  C   LIG    1       -4.013   0.689   3.430  0.00  0.00    +0.176 C 
ATOM     15  C   LIG    1       -2.537   0.902  -1.990  0.00  0.00    +0.012 A 
ATOM     16  N   LIG    1       -3.091  -0.320   1.476  0.00  0.00    -0.153 NA
ENDBRANCH   3   5
ENDBRANCH   2   3
BRANCH   2  17
ATOM     17  C   LIG    1       -0.240  -2.045   1.350  0.00  0.00    +0.106 C 
BRANCH  17  18
ATOM     18  C   LIG    1        0.738  -1.227   0.487  0.00  0.00    -0.028 A 
ATOM     19  C   LIG    1        1.344  -1.731  -0.671  0.00  0.00    +0.009 A 
ATOM     20  C   LIG    1        2.183  -0.926  -1.449  0.00  0.00    +0.046 A 
ATOM     21  C   LIG    1        2.442   0.397  -1.088  0.00  0.00    +0.121 A 
ATOM     22  C   LIG    1        1.860   0.908   0.068  0.00  0.00    +0.046 A 
ATOM     23  C   LIG    1        1.022   0.103   0.848  0.00  0.00    +0.009 A 
BRANCH  21  24
ATOM     24  O   LIG    1        3.271   1.070  -1.942  0.00  0.00    -0.492 OA
BRANCH  24  25
ATOM     25  C   LIG    1        3.607   2.412  -1.595  0.00  0.00    +0.232 C 
BRANCH  25  26
ATOM     26  C   LIG    1        4.519   2.948  -2.658  0.00  0.00    +0.027 C 
ATOM     27  C   LIG    1        5.484   4.064  -2.349  0.00  0.00    +0.007 C 
ATOM     28  C   LIG    1        6.000   2.675  -2.607  0.00  0.00    +0.007 C 
ENDBRANCH  25  26
ENDBRANCH  24  25
ENDBRANCH  21  24
ENDBRANCH  17  18
BRANCH  17  29
ATOM     29  N   LIG    1        0.442  -2.976   2.287  0.00  0.00    -0.300 NA
ATOM     30  C   LIG    1        1.353  -3.951   1.708  0.00  0.00    +0.105 C 
ATOM     31  C   LIG    1       -0.487  -3.606   3.223  0.00  0.00    +0.105 C 
ENDBRANCH  17  29
ENDBRANCH   2  17
TORSDOF 8