REMARK  Name = BDB018419
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.869   1.297  -0.871  0.00  0.00    -0.003 A 
ATOM      2  C   LIG    1       -0.590   1.610  -1.530  0.00  0.00    +0.009 A 
ATOM      3  C   LIG    1       -0.511   2.750  -2.244  0.00  0.00    +0.098 A 
ATOM      4  N   LIG    1       -1.572   3.630  -2.370  0.00  0.00    -0.318 N 
ATOM      5  C   LIG    1       -1.378   4.846  -3.146  0.00  0.00    +0.152 C 
ATOM      6  C   LIG    1       -2.798   3.405  -1.758  0.00  0.00    +0.252 A 
ATOM      7  O   LIG    1       -3.769   4.152  -1.823  0.00  0.00    -0.268 OA
ATOM      8  C   LIG    1       -2.908   2.146  -0.980  0.00  0.00    +0.079 A 
ENDROOT
BRANCH   1  13
ATOM      9  C   LIG    1       -2.407  -1.103   1.963  0.00  0.00    +0.215 A 
ATOM     10  N   LIG    1       -2.560  -2.295   1.347  0.00  0.00    -0.221 NA
ATOM     11  C   LIG    1       -2.499  -2.294  -0.001  0.00  0.00    +0.115 A 
ATOM     12  C   LIG    1       -2.287  -1.158  -0.763  0.00  0.00    +0.028 A 
ATOM     13  C   LIG    1       -2.127   0.061  -0.102  0.00  0.00    -0.011 A 
ATOM     14  C   LIG    1       -2.191   0.088   1.292  0.00  0.00    +0.075 A 
BRANCH   9  16
ATOM     15  C   LIG    1       -2.672  -2.287   3.964  0.00  0.00    +0.279 C 
ATOM     16  O   LIG    1       -2.457  -1.026   3.340  0.00  0.00    -0.480 OA
ENDBRANCH   9  16
ENDBRANCH   1  13
BRANCH   2  17
ATOM     17  C   LIG    1        0.543   0.739  -1.429  0.00  0.00    +0.022 A 
ATOM     18  C   LIG    1        1.123   0.273  -0.270  0.00  0.00    +0.123 A 
ATOM     19  N   LIG    1        2.172  -0.546  -0.627  0.00  0.00    -0.238 N 
ATOM     20  N   LIG    1        2.272  -0.622  -1.988  0.00  0.00    -0.174 NA
ATOM     21  C   LIG    1        1.304   0.165  -2.455  0.00  0.00    +0.143 A 
BRANCH  19  22
ATOM     22  C   LIG    1        3.084  -1.293   0.188  0.00  0.00    +0.083 A 
ATOM     23  C   LIG    1        3.222  -1.146   1.581  0.00  0.00    +0.077 A 
ATOM     24  C   LIG    1        4.133  -1.967   2.278  0.00  0.00    +0.021 A 
ATOM     25  C   LIG    1        4.911  -2.913   1.613  0.00  0.00    +0.001 A 
ATOM     26  C   LIG    1        4.797  -3.048   0.237  0.00  0.00    +0.002 A 
ATOM     27  C   LIG    1        3.897  -2.246  -0.468  0.00  0.00    +0.029 A 
BRANCH  23  28
ATOM     28  C   LIG    1        2.545  -0.165   2.378  0.00  0.00    +0.101 C 
ATOM     29  N   LIG    1        2.021   0.625   3.048  0.00  0.00    -0.191 NA
ENDBRANCH  23  28
ENDBRANCH  19  22
ENDBRANCH   2  17
TORSDOF 5