REMARK  Name = BDB044034
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.050  -0.329   0.206  0.00  0.00    +0.080 A 
ATOM      2  C   LIG    1       -0.221  -0.843  -0.009  0.00  0.00    +0.136 A 
ATOM      3  O   LIG    1       -0.537  -2.169  -0.171  0.00  0.00    -0.491 OA
ATOM      4  C   LIG    1       -1.977  -2.206  -0.061  0.00  0.00    +0.234 C 
ATOM      5  C   LIG    1       -2.529  -0.833  -0.435  0.00  0.00    +0.080 C 
ATOM      6  C   LIG    1       -1.330  -0.013  -0.140  0.00  0.00    +0.000 A 
ATOM      7  C   LIG    1       -1.212   1.365  -0.061  0.00  0.00    +0.040 A 
ATOM      8  C   LIG    1        0.065   1.899   0.169  0.00  0.00    +0.127 A 
ATOM      9  C   LIG    1        1.195   1.064   0.304  0.00  0.00    +0.049 A 
ENDROOT
BRANCH   1  13
ATOM     10  N   LIG    1        3.392  -0.796  -0.194  0.00  0.00    -0.325 N 
ATOM     11  H   LIG    1        3.424  -0.071  -0.897  0.00  0.00    +0.145 HD
ATOM     12  H   LIG    1        4.156  -1.460  -0.173  0.00  0.00    +0.145 HD
ATOM     13  C   LIG    1        2.220  -1.220   0.374  0.00  0.00    +0.245 C 
ATOM     14  O   LIG    1        2.163  -2.273   0.991  0.00  0.00    -0.270 OA
ENDBRANCH   1  13
BRANCH   8  15
ATOM     15  N   LIG    1        0.232   3.355   0.262  0.00  0.00    +0.056 N 
ATOM     16  O   LIG    1       -0.792   4.051   0.288  0.00  0.00    -0.126 OA
ATOM     17  O   LIG    1        1.388   3.798   0.301  0.00  0.00    -0.126 OA
ENDBRANCH   8  15
TORSDOF 2