REMARK  Name = BDB047137
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.765  -1.210  -0.156  0.00  0.00    -0.004 A 
ATOM      2  C   LIG    1       -0.178  -0.160  -0.044  0.00  0.00    +0.132 A 
ATOM      3  C   LIG    1        0.193   1.200  -0.182  0.00  0.00    +0.040 A 
ATOM      4  C   LIG    1        1.528   1.403  -0.566  0.00  0.00    +0.178 A 
ATOM      5  C   LIG    1        2.461   0.404  -0.765  0.00  0.00    +0.085 A 
ATOM      6  C   LIG    1        3.628   1.105  -1.128  0.00  0.00    +0.262 A 
ATOM      7  N   LIG    1        3.449   2.427  -1.152  0.00  0.00    -0.039 NA
ATOM      8  O   LIG    1        2.122   2.614  -0.787  0.00  0.00    -0.351 OA
ATOM      9  C   LIG    1        2.090  -0.928  -0.543  0.00  0.00    +0.024 A 
ENDROOT
BRANCH   6  10
ATOM     10  O   LIG    1        4.825   0.542  -1.417  0.00  0.00    -0.477 OA
ATOM     11  C   LIG    1        5.843   1.475  -1.764  0.00  0.00    +0.279 C 
ENDBRANCH   6  10
BRANCH   1  12
ATOM     12  C   LIG    1        0.435  -2.639   0.224  0.00  0.00    +0.038 C 
BRANCH  12  14
ATOM     13  C   LIG    1        0.233  -4.300   2.108  0.00  0.00    +0.004 C 
ATOM     14  C   LIG    1        0.560  -2.864   1.732  0.00  0.00    +0.001 C 
ENDBRANCH  12  14
ENDBRANCH   1  12
BRANCH   2  15
ATOM     15  O   LIG    1       -1.453  -0.507   0.322  0.00  0.00    -0.474 OA
BRANCH  15  16
ATOM     16  C   LIG    1       -2.494  -0.444  -0.668  0.00  0.00    +0.200 C 
ATOM     17  C   LIG    1       -2.925  -1.890  -0.989  0.00  0.00    +0.067 C 
ATOM     18  C   LIG    1       -3.691   0.204   0.061  0.00  0.00    +0.067 C 
BRANCH  16  19
ATOM     19  C   LIG    1       -2.303   0.273  -2.042  0.00  0.00    +0.348 C 
ATOM     20  O   LIG    1       -3.006   1.187  -2.450  0.00  0.00    -0.247 OA
BRANCH  19  21
ATOM     21  O   LIG    1       -1.294  -0.219  -2.803  0.00  0.00    -0.478 OA
ATOM     22  H   LIG    1       -0.764  -0.913  -2.367  0.00  0.00    +0.295 HD
ENDBRANCH  19  21
ENDBRANCH  16  19
ENDBRANCH  15  16
ENDBRANCH   2  15
BRANCH   3  23
ATOM     23  C   LIG    1       -0.704   2.365   0.141  0.00  0.00    +0.042 C 
BRANCH  23  24
ATOM     24  C   LIG    1       -0.901   2.532   1.649  0.00  0.00    +0.001 C 
ATOM     25  C   LIG    1       -1.781   3.732   1.964  0.00  0.00    +0.004 C 
ENDBRANCH  23  24
ENDBRANCH   3  23
TORSDOF 9