REMARK  Name = BDB018456
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.058  -0.588  -0.788  0.00  0.00    +0.021 A 
ATOM      2  C   LIG    1        1.180  -0.032  -0.547  0.00  0.00    +0.123 A 
ATOM      3  N   LIG    1        2.132  -0.996  -0.815  0.00  0.00    -0.238 N 
ATOM      4  N   LIG    1        1.547  -2.119  -1.317  0.00  0.00    -0.174 NA
ATOM      5  C   LIG    1        0.237  -1.878  -1.260  0.00  0.00    +0.143 A 
ENDROOT
BRANCH   1  12
ATOM      6  C   LIG    1       -3.730  -0.215  -0.117  0.00  0.00    +0.017 A 
ATOM      7  C   LIG    1       -3.905   1.264  -0.284  0.00  0.00    +0.254 A 
ATOM      8  O   LIG    1       -5.017   1.772  -0.167  0.00  0.00    -0.267 OA
ATOM      9  N   LIG    1       -2.745   1.981  -0.570  0.00  0.00    -0.317 N 
ATOM     10  C   LIG    1       -2.829   3.423  -0.747  0.00  0.00    +0.152 C 
ATOM     11  C   LIG    1       -1.512   1.371  -0.732  0.00  0.00    +0.097 A 
ATOM     12  C   LIG    1       -1.336   0.041  -0.613  0.00  0.00    +0.002 A 
ATOM     13  C   LIG    1       -2.511  -0.756  -0.290  0.00  0.00    +0.019 A 
BRANCH   6  15
ATOM     14  C   LIG    1       -5.340  -0.924   1.679  0.00  0.00    +0.009 C 
ATOM     15  C   LIG    1       -4.952  -1.028   0.210  0.00  0.00    +0.037 C 
ENDBRANCH   6  15
ENDBRANCH   1  12
BRANCH   3  16
ATOM     16  C   LIG    1        3.552  -0.916  -0.716  0.00  0.00    +0.079 A 
ATOM     17  C   LIG    1        4.230   0.049   0.046  0.00  0.00    +0.084 A 
ATOM     18  C   LIG    1        5.633   0.136  -0.006  0.00  0.00    +0.017 A 
ATOM     19  C   LIG    1        6.369  -0.761  -0.778  0.00  0.00    +0.001 A 
ATOM     20  C   LIG    1        5.711  -1.756  -1.494  0.00  0.00    +0.002 A 
ATOM     21  C   LIG    1        4.316  -1.837  -1.462  0.00  0.00    +0.028 A 
BRANCH  17  22
ATOM     22  C   LIG    1        3.592   0.948   1.019  0.00  0.00    +0.339 C 
ATOM     23  O   LIG    1        3.690   2.158   1.054  0.00  0.00    -0.245 OA
BRANCH  22  24
ATOM     24  O   LIG    1        2.923   0.243   1.946  0.00  0.00    -0.477 OA
ATOM     25  H   LIG    1        2.591   0.909   2.585  0.00  0.00    +0.295 HD
ENDBRANCH  22  24
ENDBRANCH  17  22
ENDBRANCH   3  16
TORSDOF 5