REMARK  Name = BDB016943
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.029  -4.033  -1.049  0.00  0.00    +0.150 C 
ATOM      2  N   LIG    1       -1.108  -3.157  -0.895  0.00  0.00    -0.333 N 
ATOM      3  C   LIG    1       -1.071  -1.815  -0.576  0.00  0.00    +0.078 A 
ATOM      4  C   LIG    1       -2.410  -1.437  -0.547  0.00  0.00    +0.115 A 
ATOM      5  N   LIG    1       -3.224  -2.521  -0.841  0.00  0.00    -0.234 NA
ATOM      6  C   LIG    1       -2.411  -3.529  -1.042  0.00  0.00    +0.200 A 
ENDROOT
BRANCH   3   7
ATOM      7  C   LIG    1        0.167  -1.082  -0.345  0.00  0.00    +0.001 A 
ATOM      8  C   LIG    1        0.710  -0.997   0.936  0.00  0.00    +0.010 A 
ATOM      9  C   LIG    1        1.913  -0.315   1.149  0.00  0.00    +0.005 A 
ATOM     10  C   LIG    1        2.608   0.301   0.090  0.00  0.00    -0.042 A 
ATOM     11  C   LIG    1        2.041   0.208  -1.192  0.00  0.00    +0.005 A 
ATOM     12  C   LIG    1        0.837  -0.474  -1.407  0.00  0.00    +0.010 A 
BRANCH  10  13
ATOM     13  C   LIG    1        3.925   1.048   0.363  0.00  0.00    -0.013 C 
ATOM     14  C   LIG    1        4.572   1.658  -0.901  0.00  0.00    +0.015 C 
ATOM     15  C   LIG    1        3.668   2.207   1.350  0.00  0.00    +0.015 C 
ATOM     16  C   LIG    1        4.956   0.076   0.979  0.00  0.00    +0.015 C 
ENDBRANCH  10  13
ENDBRANCH   3   7
BRANCH   4  17
ATOM     17  C   LIG    1       -2.958  -0.111  -0.259  0.00  0.00    +0.092 A 
ATOM     18  N   LIG    1       -2.088   0.893   0.015  0.00  0.00    -0.253 NA
ATOM     19  C   LIG    1       -2.591   2.115   0.281  0.00  0.00    +0.112 A 
ATOM     20  C   LIG    1       -3.941   2.401   0.290  0.00  0.00    +0.035 A 
ATOM     21  C   LIG    1       -4.825   1.363   0.008  0.00  0.00    +0.062 A 
ATOM     22  C   LIG    1       -4.332   0.088  -0.271  0.00  0.00    +0.045 A 
BRANCH  21  23
ATOM     23  C   LIG    1       -6.291   1.568  -0.007  0.00  0.00    +0.337 C 
ATOM     24  O   LIG    1       -7.132   0.721  -0.242  0.00  0.00    -0.245 OA
BRANCH  23  25
ATOM     25  O   LIG    1       -6.640   2.836   0.276  0.00  0.00    -0.477 OA
ATOM     26  H   LIG    1       -7.620   2.821   0.230  0.00  0.00    +0.295 HD
ENDBRANCH  23  25
ENDBRANCH  21  23
ENDBRANCH   4  17
TORSDOF 5