REMARK  Name = BDB020564
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.172  -1.654   0.289  0.00  0.00    +0.011 A 
ATOM      2  C   LIG    1        1.304  -0.936  -0.184  0.00  0.00    +0.009 A 
ATOM      3  C   LIG    1        2.593  -1.470   0.025  0.00  0.00    -0.014 A 
ATOM      4  C   LIG    1        3.718  -0.762  -0.424  0.00  0.00    +0.037 A 
ATOM      5  C   LIG    1        3.550   0.460  -1.065  0.00  0.00    +0.075 A 
ATOM      6  N   LIG    1        2.332   1.000  -1.281  0.00  0.00    -0.254 NA
ATOM      7  C   LIG    1        2.735  -2.705   0.680  0.00  0.00    +0.008 A 
ATOM      8  C   LIG    1        1.619  -3.412   1.125  0.00  0.00    +0.001 A 
ATOM      9  C   LIG    1        1.254   0.298  -0.852  0.00  0.00    +0.120 A 
ATOM     10  C   LIG    1        0.344  -2.890   0.930  0.00  0.00    +0.011 A 
ENDROOT
BRANCH   1  15
ATOM     11  C   LIG    1       -4.357   1.594   1.369  0.00  0.00    +0.041 C 
ATOM     12  C   LIG    1       -4.365   0.085   1.153  0.00  0.00    +0.171 C 
ATOM     13  N   LIG    1       -3.171  -0.362   0.461  0.00  0.00    -0.318 N 
ATOM     14  C   LIG    1       -2.060  -0.819   1.119  0.00  0.00    +0.064 A 
ATOM     15  C   LIG    1       -1.173  -1.143   0.115  0.00  0.00    +0.094 A 
ATOM     16  N   LIG    1       -1.724  -0.888  -1.117  0.00  0.00    -0.232 NA
ATOM     17  C   LIG    1       -2.032  -0.839   2.591  0.00  0.00    +0.163 C 
ATOM     18  N   LIG    1       -3.366  -1.167   3.081  0.00  0.00    -0.297 N 
ATOM     19  C   LIG    1       -3.453  -1.704   4.426  0.00  0.00    +0.132 C 
ATOM     20  C   LIG    1       -2.936  -0.432  -0.881  0.00  0.00    +0.114 A 
ATOM     21  C   LIG    1       -4.513  -0.621   2.505  0.00  0.00    +0.238 C 
ATOM     22  O   LIG    1       -5.614  -0.662   3.060  0.00  0.00    -0.273 OA
BRANCH  20  23
ATOM     23  C   LIG    1       -3.934  -0.039  -2.007  0.00  0.00    +0.055 C 
ATOM     24  C   LIG    1       -3.392   0.371  -3.352  0.00  0.00    +0.012 C 
ATOM     25  C   LIG    1       -4.003   1.400  -2.448  0.00  0.00    +0.012 C 
ENDBRANCH  20  23
ENDBRANCH   1  15
BRANCH   5  26
ATOM     26  C   LIG    1        4.668   1.252  -1.550  0.00  0.00    +0.038 A 
ATOM     27  C   LIG    1        6.011   0.939  -1.472  0.00  0.00    +0.118 A 
ATOM     28  N   LIG    1        6.681   1.975  -2.058  0.00  0.00    -0.274 N 
ATOM     29  C   LIG    1        8.109   2.104  -2.221  0.00  0.00    +0.172 C 
ATOM     30  N   LIG    1        5.876   2.949  -2.512  0.00  0.00    -0.179 NA
ATOM     31  C   LIG    1        4.652   2.506  -2.206  0.00  0.00    +0.144 A 
ENDBRANCH   5  26
TORSDOF 3