REMARK  Name = BDB004075
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.877  -0.403   2.514  0.00  0.00    +0.154 C 
ATOM      2  N   LIG    1       -0.954  -0.194   1.437  0.00  0.00    -0.294 N 
ATOM      3  C   LIG    1       -1.271   0.125   0.100  0.00  0.00    +0.077 A 
ATOM      4  C   LIG    1       -0.054   0.208  -0.601  0.00  0.00    +0.071 A 
ATOM      5  C   LIG    1       -0.003   0.488  -1.953  0.00  0.00    +0.028 A 
ATOM      6  C   LIG    1       -1.211   0.703  -2.614  0.00  0.00    +0.003 A 
ATOM      7  C   LIG    1       -2.432   0.631  -1.919  0.00  0.00    +0.010 A 
ATOM      8  N   LIG    1        0.993  -0.049   0.302  0.00  0.00    -0.280 N 
ATOM      9  C   LIG    1       -2.491   0.336  -0.541  0.00  0.00    +0.008 A 
ATOM     10  C   LIG    1        0.442  -0.315   1.569  0.00  0.00    +0.331 A 
ATOM     11  O   LIG    1        1.065  -0.583   2.585  0.00  0.00    -0.246 OA
ENDROOT
BRANCH   8  12
ATOM     12  C   LIG    1        2.421  -0.087   0.028  0.00  0.00    +0.178 C 
ATOM     13  C   LIG    1        2.805  -1.190  -0.974  0.00  0.00    +0.242 C 
ATOM     14  O   LIG    1        1.998  -1.992  -1.448  0.00  0.00    -0.273 OA
ATOM     15  N   LIG    1        4.135  -1.356  -1.302  0.00  0.00    -0.255 N 
ATOM     16  H   LIG    1        4.264  -2.231  -1.797  0.00  0.00    +0.158 HD
ATOM     17  C   LIG    1        5.265  -0.991  -0.610  0.00  0.00    +0.219 C 
ATOM     18  O   LIG    1        6.221  -1.763  -0.555  0.00  0.00    -0.275 OA
ATOM     19  C   LIG    1        5.287   0.343   0.102  0.00  0.00    +0.096 C 
ATOM     20  C   LIG    1        4.453   1.399  -0.608  0.00  0.00    +0.012 C 
ATOM     21  C   LIG    1        2.957   1.310  -0.307  0.00  0.00    +0.035 C 
ENDBRANCH   8  12
BRANCH   9  22
ATOM     22  C   LIG    1       -3.799   0.267   0.111  0.00  0.00    -0.013 A 
ATOM     23  C   LIG    1       -4.515  -0.933   0.156  0.00  0.00    +0.028 A 
ATOM     24  C   LIG    1       -5.756  -0.946   0.772  0.00  0.00    +0.111 A 
ATOM     25  N   LIG    1       -6.326   0.141   1.332  0.00  0.00    -0.263 NA
ATOM     26  C   LIG    1       -5.627   1.294   1.269  0.00  0.00    +0.111 A 
ATOM     27  C   LIG    1       -4.380   1.407   0.675  0.00  0.00    +0.028 A 
ENDBRANCH   9  22
TORSDOF 2