REMARK  Name = BDB018345
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.047   4.718   0.312  0.00  0.00    +0.152 C 
ATOM      2  N   LIG    1       -2.116   3.279   0.115  0.00  0.00    -0.318 N 
ATOM      3  C   LIG    1       -3.249   2.726  -0.467  0.00  0.00    +0.252 A 
ATOM      4  O   LIG    1       -4.229   3.360  -0.849  0.00  0.00    -0.268 OA
ATOM      5  C   LIG    1       -3.235   1.252  -0.627  0.00  0.00    +0.079 A 
ATOM      6  C   LIG    1       -2.192   0.509  -0.211  0.00  0.00    -0.004 A 
ATOM      7  C   LIG    1       -1.026   1.159   0.412  0.00  0.00    +0.009 A 
ATOM      8  C   LIG    1       -1.051   2.502   0.537  0.00  0.00    +0.098 A 
ENDROOT
BRANCH   6   9
ATOM      9  C   LIG    1       -2.305  -0.943  -0.471  0.00  0.00    -0.017 A 
ATOM     10  C   LIG    1       -3.200  -1.732   0.267  0.00  0.00    +0.008 A 
ATOM     11  C   LIG    1       -3.298  -3.103   0.022  0.00  0.00    +0.001 A 
ATOM     12  C   LIG    1       -2.504  -3.694  -0.960  0.00  0.00    +0.000 A 
ATOM     13  C   LIG    1       -1.613  -2.917  -1.699  0.00  0.00    +0.001 A 
ATOM     14  C   LIG    1       -1.514  -1.546  -1.457  0.00  0.00    +0.008 A 
ENDBRANCH   6   9
BRANCH   7  15
ATOM     15  C   LIG    1        0.104   0.409   0.881  0.00  0.00    +0.022 A 
ATOM     16  C   LIG    1        1.430   0.691   0.627  0.00  0.00    +0.116 A 
ATOM     17  N   LIG    1        2.151  -0.282   1.261  0.00  0.00    -0.271 N 
ATOM     18  N   LIG    1        1.385  -1.162   1.935  0.00  0.00    -0.179 NA
ATOM     19  C   LIG    1        0.139  -0.746   1.690  0.00  0.00    +0.143 A 
BRANCH  17  20
ATOM     20  C   LIG    1        3.601  -0.424   1.266  0.00  0.00    +0.147 C 
BRANCH  20  21
ATOM     21  C   LIG    1        4.076  -1.289   0.137  0.00  0.00    +0.010 C 
ATOM     22  C   LIG    1        5.507  -1.208  -0.332  0.00  0.00    +0.005 C 
ATOM     23  C   LIG    1        4.400  -0.700  -1.214  0.00  0.00    +0.005 C 
ENDBRANCH  20  21
ENDBRANCH  17  20
ENDBRANCH   7  15
TORSDOF 4