REMARK  Name = BDB047655
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        3.955   0.374  -0.288  0.00  0.00    +0.060 A 
ATOM      2  C   LIG    1        2.762  -0.358  -0.167  0.00  0.00    +0.025 A 
ATOM      3  C   LIG    1        1.538   0.327  -0.011  0.00  0.00    +0.009 A 
ATOM      4  C   LIG    1        1.555   1.722   0.015  0.00  0.00    +0.048 A 
ATOM      5  N   LIG    1        0.254   2.143   0.172  0.00  0.00    -0.354 N 
ATOM      6  H   LIG    1       -0.033   3.109   0.225  0.00  0.00    +0.166 HD
ATOM      7  C   LIG    1       -0.602   1.073   0.253  0.00  0.00    +0.051 A 
ATOM      8  C   LIG    1       -1.992   1.024   0.414  0.00  0.00    -0.020 A 
ATOM      9  C   LIG    1       -3.004   2.131   0.518  0.00  0.00    +0.038 C 
ATOM     10  C   LIG    1       -4.210   1.380   1.099  0.00  0.00    +0.009 C 
ATOM     11  C   LIG    1       -4.109  -0.071   0.602  0.00  0.00    +0.036 C 
ATOM     12  C   LIG    1       -2.630  -0.224   0.459  0.00  0.00    -0.030 A 
ATOM     13  C   LIG    1       -1.882  -1.367   0.334  0.00  0.00    +0.045 A 
ATOM     14  C   LIG    1       -2.301  -2.774   0.326  0.00  0.00    +0.245 C 
ATOM     15  O   LIG    1       -3.437  -3.192   0.431  0.00  0.00    -0.270 OA
ATOM     16  N   LIG    1       -1.159  -3.527   0.176  0.00  0.00    -0.307 N 
ATOM     17  H   LIG    1       -1.199  -4.537   0.139  0.00  0.00    +0.149 HD
ATOM     18  C   LIG    1        0.037  -2.729   0.072  0.00  0.00    +0.141 C 
ATOM     19  C   LIG    1       -0.488  -1.328   0.178  0.00  0.00    -0.008 A 
ATOM     20  C   LIG    1        2.731   2.472  -0.104  0.00  0.00    +0.027 A 
ATOM     21  C   LIG    1        0.177  -0.087   0.136  0.00  0.00    +0.013 A 
ATOM     22  C   LIG    1        3.932   1.772  -0.256  0.00  0.00    +0.017 A 
ENDROOT
BRANCH   1  24
ATOM     23  O   LIG    1        6.344   0.255  -0.565  0.00  0.00    -0.245 OA
ATOM     24  C   LIG    1        5.266  -0.299  -0.453  0.00  0.00    +0.337 C 
BRANCH  24  25
ATOM     25  O   LIG    1        5.168  -1.641  -0.471  0.00  0.00    -0.477 OA
ATOM     26  H   LIG    1        6.095  -1.939  -0.584  0.00  0.00    +0.295 HD
ENDBRANCH  24  25
ENDBRANCH   1  24
TORSDOF 2