REMARK  Name = BDB047645
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.326   0.672  -2.623  0.00  0.00    +0.028 C 
ATOM      2  C   LIG    1       -2.895   0.750  -1.203  0.00  0.00    +0.076 C 
ATOM      3  N   LIG    1       -1.832   0.411  -0.271  0.00  0.00    -0.339 N 
ATOM      4  H   LIG    1       -1.184  -0.277  -0.654  0.00  0.00    +0.146 HD
ATOM      5  C   LIG    1       -2.143   0.105   1.071  0.00  0.00    +0.057 A 
ATOM      6  C   LIG    1       -3.285   0.574   1.764  0.00  0.00    +0.055 A 
ATOM      7  C   LIG    1       -3.493   0.185   3.104  0.00  0.00    +0.025 A 
ATOM      8  C   LIG    1       -2.577  -0.603   3.790  0.00  0.00    +0.003 A 
ATOM      9  C   LIG    1       -1.420  -1.012   3.148  0.00  0.00    +0.010 A 
ATOM     10  N   LIG    1       -4.301   1.419   1.269  0.00  0.00    -0.284 N 
ATOM     11  H   LIG    1       -5.088   1.590   1.883  0.00  0.00    +0.155 HD
ATOM     12  C   LIG    1       -4.436   2.135   0.125  0.00  0.00    +0.219 C 
ATOM     13  O   LIG    1       -5.458   2.813  -0.019  0.00  0.00    -0.275 OA
ATOM     14  C   LIG    1       -1.177  -0.664   1.806  0.00  0.00    +0.005 A 
ATOM     15  C   LIG    1       -3.361   2.158  -0.910  0.00  0.00    +0.118 C 
ENDROOT
BRANCH  14  16
ATOM     16  C   LIG    1        0.090  -1.129   1.202  0.00  0.00    -0.015 A 
ATOM     17  C   LIG    1        1.104  -0.206   0.881  0.00  0.00    +0.020 A 
ATOM     18  C   LIG    1        2.301  -0.657   0.294  0.00  0.00    +0.024 A 
ATOM     19  C   LIG    1        3.499  -0.067  -0.167  0.00  0.00    +0.074 A 
ATOM     20  N   LIG    1        4.367  -0.956  -0.652  0.00  0.00    -0.175 NA
ATOM     21  N   LIG    1        3.717  -2.128  -0.516  0.00  0.00    -0.266 N 
ATOM     22  C   LIG    1        4.358  -3.348  -0.946  0.00  0.00    +0.173 C 
ATOM     23  C   LIG    1        2.468  -2.017   0.047  0.00  0.00    +0.069 A 
ATOM     24  C   LIG    1        1.485  -2.963   0.360  0.00  0.00    +0.028 A 
ATOM     25  C   LIG    1        0.299  -2.492   0.938  0.00  0.00    +0.010 A 
BRANCH  19  26
ATOM     26  C   LIG    1        3.804   1.455  -0.106  0.00  0.00    +0.040 C 
ATOM     27  C   LIG    1        2.987   2.405  -0.946  0.00  0.00    +0.010 C 
ATOM     28  C   LIG    1        4.418   2.133  -1.304  0.00  0.00    +0.010 C 
ENDBRANCH  19  26
ENDBRANCH  14  16
TORSDOF 2