REMARK  Name = BDB000748
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -3.737  -0.772  -0.561  0.00  0.00    -0.271 N 
ATOM      2  C   LIG    1       -2.455  -0.249  -0.349  0.00  0.00    +0.041 A 
ATOM      3  C   LIG    1       -2.549   1.106  -0.037  0.00  0.00    -0.010 A 
ATOM      4  C   LIG    1       -1.421   1.877   0.220  0.00  0.00    +0.032 A 
ATOM      5  C   LIG    1       -0.192   1.206   0.147  0.00  0.00    +0.048 A 
ATOM      6  C   LIG    1       -0.067  -0.157  -0.160  0.00  0.00    +0.005 A 
ATOM      7  C   LIG    1        1.336  -0.483  -0.137  0.00  0.00    -0.013 A 
ATOM      8  C   LIG    1        1.924  -1.829  -0.421  0.00  0.00    +0.038 C 
ATOM      9  C   LIG    1        3.193  -2.167   0.365  0.00  0.00    +0.009 C 
ATOM     10  C   LIG    1        4.444  -1.469  -0.170  0.00  0.00    +0.039 C 
ATOM     11  C   LIG    1        4.553  -0.023   0.173  0.00  0.00    +0.002 A 
ATOM     12  C   LIG    1        5.710   0.702   0.405  0.00  0.00    +0.037 A 
ATOM     13  C   LIG    1        7.139   0.312   0.401  0.00  0.00    +0.065 C 
ATOM     14  N   LIG    1        5.305   1.980   0.674  0.00  0.00    -0.281 N 
ATOM     15  H   LIG    1        5.882   2.785   0.894  0.00  0.00    +0.189 HD
ATOM     16  N   LIG    1        3.977   2.147   0.626  0.00  0.00    -0.172 NA
ATOM     17  C   LIG    1        3.517   0.930   0.319  0.00  0.00    +0.112 A 
ATOM     18  C   LIG    1        1.998   0.688   0.168  0.00  0.00    +0.071 A 
ATOM     19  N   LIG    1        1.080   1.684   0.340  0.00  0.00    -0.353 N 
ATOM     20  H   LIG    1        1.333   2.634   0.574  0.00  0.00    +0.166 HD
ATOM     21  C   LIG    1       -4.003   1.526  -0.029  0.00  0.00    +0.068 C 
ATOM     22  C   LIG    1       -4.298   2.556  -1.119  0.00  0.00    +0.025 C 
ATOM     23  C   LIG    1       -4.446   2.020   1.348  0.00  0.00    +0.025 C 
ATOM     24  C   LIG    1       -1.236  -0.910  -0.418  0.00  0.00    +0.034 A 
ATOM     25  C   LIG    1       -4.723   0.200  -0.361  0.00  0.00    +0.230 C 
ATOM     26  O   LIG    1       -5.932   0.039  -0.432  0.00  0.00    -0.274 OA
ENDROOT
BRANCH   1  28
ATOM     27  C   LIG    1       -4.135  -2.988   0.427  0.00  0.00    +0.025 C 
ATOM     28  C   LIG    1       -4.031  -2.158  -0.842  0.00  0.00    +0.110 C 
ENDBRANCH   1  28
TORSDOF 1