REMARK  Name = BDB045132
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.259   1.343  -0.529  0.00  0.00    +0.122 A 
ATOM      2  C   LIG    1        0.577  -0.004  -0.686  0.00  0.00    +0.046 A 
ATOM      3  C   LIG    1       -0.381  -0.990  -0.414  0.00  0.00    +0.014 A 
ATOM      4  C   LIG    1       -1.670  -0.642   0.006  0.00  0.00    +0.004 A 
ATOM      5  C   LIG    1       -1.988   0.711   0.161  0.00  0.00    +0.014 A 
ATOM      6  C   LIG    1       -1.028   1.693  -0.110  0.00  0.00    +0.046 A 
ENDROOT
BRANCH   4   7
ATOM      7  C   LIG    1       -2.664  -1.729   0.293  0.00  0.00    +0.117 C 
ATOM      8  N   LIG    1       -2.216  -2.932   0.526  0.00  0.00    -0.086 NA
BRANCH   7   9
ATOM      9  C   LIG    1       -4.109  -1.375   0.294  0.00  0.00    +0.004 A 
ATOM     10  C   LIG    1       -4.729  -0.993  -0.900  0.00  0.00    +0.010 A 
ATOM     11  C   LIG    1       -6.076  -0.633  -0.889  0.00  0.00    +0.001 A 
ATOM     12  C   LIG    1       -6.796  -0.658   0.308  0.00  0.00    +0.000 A 
ATOM     13  C   LIG    1       -6.174  -1.047   1.496  0.00  0.00    +0.001 A 
ATOM     14  C   LIG    1       -4.827  -1.408   1.492  0.00  0.00    +0.010 A 
ENDBRANCH   7   9
BRANCH   8  15
ATOM     15  O   LIG    1       -3.246  -3.855   0.739  0.00  0.00    -0.409 OA
ATOM     16  H   LIG    1       -2.757  -4.688   0.870  0.00  0.00    +0.328 HD
ENDBRANCH   8  15
ENDBRANCH   4   7
BRANCH   1  17
ATOM     17  O   LIG    1        1.087   2.406  -0.753  0.00  0.00    -0.477 OA
BRANCH  17  18
ATOM     18  C   LIG    1        2.492   2.160  -0.967  0.00  0.00    +0.285 C 
BRANCH  18  20
ATOM     19  O   LIG    1        4.217   3.572  -1.963  0.00  0.00    -0.247 OA
ATOM     20  C   LIG    1        3.038   3.394  -1.690  0.00  0.00    +0.346 C 
BRANCH  20  21
ATOM     21  O   LIG    1        2.078   4.291  -2.029  0.00  0.00    -0.478 OA
ATOM     22  H   LIG    1        1.203   3.965  -1.721  0.00  0.00    +0.295 HD
ENDBRANCH  20  21
ENDBRANCH  18  20
BRANCH  18  23
ATOM     23  C   LIG    1        3.223   2.001   0.378  0.00  0.00    +0.091 C 
BRANCH  23  24
ATOM     24  C   LIG    1        4.032   0.726   0.444  0.00  0.00    -0.043 A 
ATOM     25  C   LIG    1        5.216   0.600  -0.296  0.00  0.00    +0.004 A 
ATOM     26  C   LIG    1        5.955  -0.583  -0.250  0.00  0.00    +0.000 A 
ATOM     27  C   LIG    1        5.519  -1.649   0.535  0.00  0.00    +0.000 A 
ATOM     28  C   LIG    1        4.347  -1.531   1.279  0.00  0.00    +0.000 A 
ATOM     29  C   LIG    1        3.607  -0.349   1.236  0.00  0.00    +0.004 A 
ENDBRANCH  23  24
ENDBRANCH  18  23
ENDBRANCH  17  18
ENDBRANCH   1  17
TORSDOF 9