REMARK  Name = BDB031349
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.498   1.032   0.848  0.00  0.00    +0.249 C 
ATOM      2  N   LIG    1       -1.060   0.717  -0.374  0.00  0.00    -0.281 N 
ATOM      3  H   LIG    1       -0.449   0.775  -1.179  0.00  0.00    +0.155 HD
ATOM      4  O   LIG    1       -1.065   1.157   1.925  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   1  10
ATOM      5  C   LIG    1        5.821  -1.990  -0.735  0.00  0.00    +0.109 C 
ATOM      6  C   LIG    1        5.301  -0.630  -0.331  0.00  0.00    +0.217 C 
ATOM      7  N   LIG    1        3.931  -0.551  -0.149  0.00  0.00    -0.271 N 
ATOM      8  C   LIG    1        3.223   0.582   0.296  0.00  0.00    +0.040 A 
ATOM      9  C   LIG    1        1.854   0.307   0.347  0.00  0.00    -0.012 A 
ATOM     10  C   LIG    1        0.959   1.277   0.788  0.00  0.00    +0.042 A 
ATOM     11  C   LIG    1        1.448   2.519   1.206  0.00  0.00    +0.013 A 
ATOM     12  C   LIG    1        2.821   2.791   1.141  0.00  0.00    +0.003 A 
ATOM     13  C   LIG    1        1.571  -1.090  -0.110  0.00  0.00    +0.057 C 
ATOM     14  C   LIG    1        3.716   1.821   0.677  0.00  0.00    +0.024 A 
ATOM     15  C   LIG    1        2.981  -1.666  -0.285  0.00  0.00    +0.118 C 
ATOM     16  O   LIG    1        6.088   0.306  -0.202  0.00  0.00    -0.276 OA
ENDBRANCH   1  10
BRANCH   2  17
ATOM     17  C   LIG    1       -2.410   0.398  -0.636  0.00  0.00    +0.036 A 
ATOM     18  C   LIG    1       -3.382   0.282   0.365  0.00  0.00    +0.051 A 
ATOM     19  C   LIG    1       -4.658  -0.043  -0.036  0.00  0.00    +0.069 A 
ATOM     20  C   LIG    1       -4.993  -0.252  -1.371  0.00  0.00    +0.067 A 
ATOM     21  N   LIG    1       -6.347  -0.560  -1.432  0.00  0.00    -0.306 N 
ATOM     22  H   LIG    1       -6.895  -0.762  -2.251  0.00  0.00    +0.170 HD
ATOM     23  C   LIG    1       -6.871  -0.544  -0.130  0.00  0.00    +0.325 A 
ATOM     24  O   LIG    1       -8.024  -0.768   0.189  0.00  0.00    -0.247 OA
ATOM     25  C   LIG    1       -4.067  -0.148  -2.378  0.00  0.00    +0.029 A 
ATOM     26  N   LIG    1       -5.809  -0.222   0.726  0.00  0.00    -0.306 N 
ATOM     27  H   LIG    1       -5.895  -0.136   1.725  0.00  0.00    +0.170 HD
ATOM     28  C   LIG    1       -2.760   0.181  -1.996  0.00  0.00    +0.025 A 
ENDBRANCH   2  17
TORSDOF 2