REMARK  Name = BDB045140
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -2.128   0.887   0.775  0.00  0.00    -0.477 OA
ENDROOT
BRANCH   1   5
ATOM      2  C   LIG    1        1.915  -0.070   0.561  0.00  0.00    -0.004 A 
ATOM      3  C   LIG    1        1.310   0.482  -0.571  0.00  0.00    +0.013 A 
ATOM      4  C   LIG    1       -0.048   0.822  -0.547  0.00  0.00    +0.046 A 
ATOM      5  C   LIG    1       -0.801   0.614   0.609  0.00  0.00    +0.122 A 
ATOM      6  C   LIG    1       -0.187   0.056   1.735  0.00  0.00    +0.046 A 
ATOM      7  C   LIG    1        1.168  -0.285   1.718  0.00  0.00    +0.013 A 
BRANCH   2   9
ATOM      8  N   LIG    1        4.095  -0.264  -0.485  0.00  0.00    -0.093 NA
ATOM      9  C   LIG    1        3.344  -0.435   0.556  0.00  0.00    +0.160 C 
BRANCH   8  10
ATOM     10  O   LIG    1        5.391  -0.704  -0.179  0.00  0.00    -0.394 OA
BRANCH  10  11
ATOM     11  C   LIG    1        6.218  -0.509  -1.326  0.00  0.00    +0.262 C 
BRANCH  11  13
ATOM     12  C   LIG    1        8.284  -0.143   0.088  0.00  0.00    +0.007 C 
ATOM     13  C   LIG    1        7.636  -0.971  -1.013  0.00  0.00    +0.040 C 
ENDBRANCH  11  13
ENDBRANCH  10  11
ENDBRANCH   8  10
ENDBRANCH   2   9
ENDBRANCH   1   5
BRANCH   1  14
ATOM     14  C   LIG    1       -2.836   1.605  -0.240  0.00  0.00    +0.285 C 
BRANCH  14  15
ATOM     15  C   LIG    1       -3.943   2.424   0.421  0.00  0.00    +0.346 C 
ATOM     16  O   LIG    1       -4.187   2.531   1.612  0.00  0.00    -0.247 OA
BRANCH  15  17
ATOM     17  O   LIG    1       -4.662   3.148  -0.468  0.00  0.00    -0.478 OA
ATOM     18  H   LIG    1       -5.309   3.616   0.103  0.00  0.00    +0.295 HD
ENDBRANCH  15  17
ENDBRANCH  14  15
BRANCH  14  19
ATOM     19  C   LIG    1       -3.405   0.656  -1.310  0.00  0.00    +0.091 C 
BRANCH  19  20
ATOM     20  C   LIG    1       -4.500  -0.273  -0.830  0.00  0.00    -0.043 A 
ATOM     21  C   LIG    1       -5.837  -0.034  -1.179  0.00  0.00    +0.004 A 
ATOM     22  C   LIG    1       -6.848  -0.886  -0.734  0.00  0.00    +0.000 A 
ATOM     23  C   LIG    1       -6.535  -1.986   0.062  0.00  0.00    +0.000 A 
ATOM     24  C   LIG    1       -5.210  -2.235   0.412  0.00  0.00    +0.000 A 
ATOM     25  C   LIG    1       -4.197  -1.384  -0.032  0.00  0.00    +0.004 A 
ENDBRANCH  19  20
ENDBRANCH  14  19
ENDBRANCH   1  14
TORSDOF 10