REMARK  Name = BDB020814
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        4.573   0.440  -0.165  0.00  0.00    -0.269 N 
ATOM      2  H   LIG    1        4.051   1.101  -0.718  0.00  0.00    +0.156 HD
ATOM      3  C   LIG    1        3.858  -0.156   0.852  0.00  0.00    +0.307 C 
ATOM      4  N   LIG    1        2.478  -0.221   0.608  0.00  0.00    -0.281 N 
ATOM      5  C   LIG    1        1.665  -0.805   1.670  0.00  0.00    +0.114 C 
ATOM      6  C   LIG    1        0.232  -0.272   1.639  0.00  0.00    +0.054 C 
ATOM      7  C   LIG    1       -0.358  -0.281   0.245  0.00  0.00    -0.036 C 
ATOM      8  C   LIG    1        0.474  -0.368  -0.812  0.00  0.00    -0.004 C 
ATOM      9  C   LIG    1        1.971  -0.427  -0.748  0.00  0.00    +0.137 C 
ATOM     10  O   LIG    1        4.349  -0.576   1.897  0.00  0.00    -0.252 OA
ENDROOT
BRANCH   7  11
ATOM     11  C   LIG    1       -1.825  -0.236   0.098  0.00  0.00    +0.041 A 
ATOM     12  C   LIG    1       -2.545  -0.864  -0.966  0.00  0.00    +0.172 A 
ATOM     13  N   LIG    1       -3.914  -0.742  -0.966  0.00  0.00    -0.253 N 
ATOM     14  C   LIG    1       -4.341  -1.395  -2.085  0.00  0.00    +0.232 A 
ATOM     15  N   LIG    1       -3.315  -1.916  -2.718  0.00  0.00    -0.137 NA
ATOM     16  C   LIG    1       -4.630  -0.057   0.022  0.00  0.00    +0.203 A 
ATOM     17  N   LIG    1       -3.973   0.518   0.993  0.00  0.00    -0.223 NA
ATOM     18  N   LIG    1       -2.182  -1.586  -2.009  0.00  0.00    -0.129 NA
ATOM     19  C   LIG    1       -2.597   0.412   1.002  0.00  0.00    +0.126 A 
BRANCH  16  20
ATOM     20  N   LIG    1       -6.003  -0.006  -0.059  0.00  0.00    -0.307 N 
ATOM     21  H   LIG    1       -6.489  -0.734  -0.573  0.00  0.00    +0.149 HD
BRANCH  20  22
ATOM     22  C   LIG    1       -6.806   0.487   1.050  0.00  0.00    +0.178 C 
BRANCH  22  23
ATOM     23  C   LIG    1       -8.271   0.422   0.782  0.00  0.00    +0.122 A 
ATOM     24  O   LIG    1       -8.736  -0.737   0.225  0.00  0.00    -0.466 OA
ATOM     25  C   LIG    1      -10.077  -0.588   0.066  0.00  0.00    +0.195 A 
ATOM     26  C   LIG    1      -10.480   0.650   0.508  0.00  0.00    +0.041 A 
ATOM     27  C   LIG    1       -9.313   1.305   0.971  0.00  0.00    +0.046 A 
ENDBRANCH  22  23
ENDBRANCH  20  22
ENDBRANCH  16  20
ENDBRANCH   7  11
BRANCH   1  32
ATOM     28  C   LIG    1       10.236   0.787  -0.954  0.00  0.00    +0.044 C 
ATOM     29  C   LIG    1        8.758   0.706  -0.714  0.00  0.00    -0.050 A 
ATOM     30  C   LIG    1        8.240  -0.190   0.226  0.00  0.00    +0.005 A 
ATOM     31  C   LIG    1        6.859  -0.291   0.431  0.00  0.00    +0.023 A 
ATOM     32  C   LIG    1        5.975   0.500  -0.303  0.00  0.00    +0.035 A 
ATOM     33  C   LIG    1        6.491   1.378  -1.262  0.00  0.00    +0.023 A 
ATOM     34  C   LIG    1        7.871   1.480  -1.468  0.00  0.00    +0.005 A 
ENDBRANCH   1  32
TORSDOF 5