REMARK  Name = BDB032879
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.209   0.027  -0.332  0.00  0.00    +0.252 C 
ATOM      2  N   LIG    1        1.475   0.475  -0.013  0.00  0.00    -0.252 N 
ATOM      3  H   LIG    1        1.635   1.423   0.300  0.00  0.00    +0.158 HD
ATOM      4  O   LIG    1       -0.092  -1.140  -0.569  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   1   6
ATOM      5  C   LIG    1       -2.193   0.725   0.045  0.00  0.00    +0.046 A 
ATOM      6  C   LIG    1       -0.868   1.068  -0.320  0.00  0.00    +0.058 A 
ATOM      7  C   LIG    1       -0.558   2.393  -0.680  0.00  0.00    +0.015 A 
ATOM      8  C   LIG    1       -1.537   3.383  -0.637  0.00  0.00    +0.001 A 
ATOM      9  C   LIG    1       -2.830   3.058  -0.244  0.00  0.00    +0.002 A 
ATOM     10  C   LIG    1       -3.156   1.740   0.090  0.00  0.00    +0.024 A 
BRANCH   5  13
ATOM     11  C   LIG    1       -3.646  -2.659   0.908  0.00  0.00    +0.109 C 
ATOM     12  C   LIG    1       -3.705  -1.158   0.768  0.00  0.00    +0.214 C 
ATOM     13  N   LIG    1       -2.506  -0.626   0.337  0.00  0.00    -0.285 N 
ATOM     14  H   LIG    1       -1.747  -1.287   0.160  0.00  0.00    +0.155 HD
ATOM     15  O   LIG    1       -4.724  -0.540   1.056  0.00  0.00    -0.276 OA
ENDBRANCH   5  13
ENDBRANCH   1   6
BRANCH   2  16
ATOM     16  C   LIG    1        2.569  -0.346   0.003  0.00  0.00    +0.195 A 
ATOM     17  O   LIG    1        3.727   0.254   0.398  0.00  0.00    -0.420 OA
ATOM     18  C   LIG    1        4.688  -0.707   0.347  0.00  0.00    +0.281 A 
ATOM     19  C   LIG    1        4.178  -1.912  -0.073  0.00  0.00    +0.077 A 
ATOM     20  C   LIG    1        2.797  -1.673  -0.298  0.00  0.00    +0.068 A 
BRANCH  18  21
ATOM     21  N   LIG    1        6.006  -0.308   0.722  0.00  0.00    +0.093 N 
ATOM     22  O   LIG    1        6.878  -1.187   0.679  0.00  0.00    -0.123 OA
ATOM     23  O   LIG    1        6.179   0.871   1.058  0.00  0.00    -0.123 OA
ENDBRANCH  18  21
ENDBRANCH   2  16
TORSDOF 4