REMARK  Name = BDB009078
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.601  -1.389  -0.387  0.00  0.00    +0.034 A 
ATOM      2  C   LIG    1        0.590  -1.312   0.582  0.00  0.00    +0.027 A 
ATOM      3  C   LIG    1       -0.507  -2.190   0.565  0.00  0.00    -0.040 A 
ATOM      4  C   LIG    1       -0.559  -3.181  -0.422  0.00  0.00    +0.004 A 
ATOM      5  C   LIG    1        0.445  -3.267  -1.385  0.00  0.00    +0.002 A 
ATOM      6  C   LIG    1        1.518  -2.374  -1.370  0.00  0.00    +0.023 A 
ENDROOT
BRANCH   1   9
ATOM      7  O   LIG    1        3.887  -0.880  -2.225  0.00  0.00    -0.270 OA
ATOM      8  C   LIG    1        3.714  -0.292  -1.165  0.00  0.00    +0.250 C 
ATOM      9  N   LIG    1        2.657  -0.457  -0.288  0.00  0.00    -0.281 N 
ATOM     10  H   LIG    1        2.579   0.200   0.478  0.00  0.00    +0.155 HD
BRANCH   8  11
ATOM     11  C   LIG    1        4.708   0.738  -0.773  0.00  0.00    +0.055 A 
ATOM     12  C   LIG    1        5.399   1.414  -1.776  0.00  0.00    +0.127 A 
ATOM     13  N   LIG    1        6.327   2.377  -1.543  0.00  0.00    -0.221 NA
ATOM     14  C   LIG    1        6.572   2.646  -0.253  0.00  0.00    +0.212 A 
ATOM     15  C   LIG    1        5.967   2.029   0.823  0.00  0.00    +0.068 A 
ATOM     16  C   LIG    1        5.014   1.048   0.556  0.00  0.00    +0.020 A 
BRANCH  14  17
ATOM     17  O   LIG    1        7.506   3.607  -0.057  0.00  0.00    -0.492 OA
ATOM     18  H   LIG    1        7.730   3.814  -0.983  0.00  0.00    +0.294 HD
ENDBRANCH  14  17
ENDBRANCH   8  11
ENDBRANCH   1   9
BRANCH   3  19
ATOM     19  C   LIG    1       -1.588  -2.111   1.620  0.00  0.00    +0.092 C 
BRANCH  19  20
ATOM     20  C   LIG    1       -2.128  -0.700   1.841  0.00  0.00    +0.069 A 
ATOM     21  C   LIG    1       -3.197  -0.168   0.940  0.00  0.00    -0.016 A 
ATOM     22  C   LIG    1       -3.726  -0.989  -0.203  0.00  0.00    +0.037 C 
ATOM     23  C   LIG    1       -4.578  -0.185  -1.190  0.00  0.00    +0.005 C 
ATOM     24  C   LIG    1       -5.528   0.756  -0.460  0.00  0.00    +0.005 C 
ATOM     25  C   LIG    1       -4.754   1.733   0.428  0.00  0.00    +0.041 C 
ATOM     26  C   LIG    1       -3.652   1.069   1.207  0.00  0.00    +0.023 A 
ATOM     27  C   LIG    1       -3.072   1.850   2.328  0.00  0.00    +0.268 A 
ATOM     28  O   LIG    1       -3.452   2.986   2.592  0.00  0.00    -0.266 OA
ATOM     29  N   LIG    1       -2.088   1.226   3.045  0.00  0.00    -0.243 N 
ATOM     30  H   LIG    1       -1.688   1.740   3.824  0.00  0.00    +0.192 HD
ATOM     31  N   LIG    1       -1.612  -0.029   2.829  0.00  0.00    -0.175 NA
ENDBRANCH  19  20
ENDBRANCH   3  19
TORSDOF 5