REMARK  Name = BDB048788
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        0.124  -1.666   0.256  0.00  0.00    -0.492 OA
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1        1.376  -1.124   0.163  0.00  0.00    +0.121 A 
ATOM      3  C   LIG    1        2.039  -0.416   1.166  0.00  0.00    +0.049 A 
ATOM      4  C   LIG    1        3.316   0.065   0.906  0.00  0.00    -0.040 A 
ATOM      5  C   LIG    1        4.182   0.873   1.821  0.00  0.00    +0.036 C 
ATOM      6  C   LIG    1        5.551   0.689   1.156  0.00  0.00    +0.013 C 
ATOM      7  C   LIG    1        5.287   0.538  -0.360  0.00  0.00    +0.030 C 
ATOM      8  C   LIG    1        3.939  -0.135  -0.333  0.00  0.00    -0.040 A 
ATOM      9  C   LIG    1        3.283  -0.824  -1.339  0.00  0.00    +0.008 A 
ATOM     10  C   LIG    1        2.002  -1.323  -1.079  0.00  0.00    +0.046 A 
BRANCH   7  11
ATOM     11  C   LIG    1        6.415  -0.230  -1.042  0.00  0.00    +0.128 C 
BRANCH  11  12
ATOM     12  C   LIG    1        6.436  -0.000  -2.532  0.00  0.00    +0.305 C 
ATOM     13  O   LIG    1        6.085  -0.827  -3.359  0.00  0.00    -0.251 OA
BRANCH  12  14
ATOM     14  O   LIG    1        6.899   1.220  -2.884  0.00  0.00    -0.481 OA
ATOM     15  H   LIG    1        7.168   1.783  -2.134  0.00  0.00    +0.295 HD
ENDBRANCH  12  14
ENDBRANCH  11  12
ENDBRANCH   7  11
ENDBRANCH   1   2
BRANCH   1  16
ATOM     16  C   LIG    1       -0.574  -1.490   1.493  0.00  0.00    +0.235 C 
BRANCH  16  17
ATOM     17  C   LIG    1       -1.949  -2.147   1.378  0.00  0.00    +0.100 C 
BRANCH  17  20
ATOM     18  C   LIG    1       -2.349  -1.741  -1.948  0.00  0.00    +0.088 C 
ATOM     19  C   LIG    1       -3.041  -1.187  -0.773  0.00  0.00    +0.126 A 
ATOM     20  C   LIG    1       -2.907  -1.323   0.593  0.00  0.00    +0.086 A 
ATOM     21  N   LIG    1       -3.842  -0.534   1.227  0.00  0.00    -0.214 NA
ATOM     22  C   LIG    1       -4.502   0.046   0.241  0.00  0.00    +0.228 A 
ATOM     23  O   LIG    1       -4.061  -0.309  -1.008  0.00  0.00    -0.440 OA
BRANCH  22  24
ATOM     24  C   LIG    1       -5.612   0.994   0.305  0.00  0.00    +0.037 A 
ATOM     25  C   LIG    1       -6.116   1.387   1.554  0.00  0.00    +0.013 A 
ATOM     26  C   LIG    1       -7.177   2.291   1.647  0.00  0.00    +0.001 A 
ATOM     27  C   LIG    1       -7.748   2.816   0.489  0.00  0.00    +0.000 A 
ATOM     28  C   LIG    1       -7.260   2.437  -0.759  0.00  0.00    +0.001 A 
ATOM     29  C   LIG    1       -6.198   1.531  -0.851  0.00  0.00    +0.013 A 
ENDBRANCH  22  24
ENDBRANCH  17  20
ENDBRANCH  16  17
ENDBRANCH   1  16
TORSDOF 8