REMARK  Name = BDB053807
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.669  -0.810   0.666  0.00  0.00    +0.121 A 
ATOM      2  C   LIG    1       -0.103  -1.568  -0.356  0.00  0.00    +0.046 A 
ATOM      3  C   LIG    1        1.251  -1.411  -0.682  0.00  0.00    +0.011 A 
ATOM      4  C   LIG    1        2.059  -0.506   0.016  0.00  0.00    -0.025 A 
ATOM      5  C   LIG    1        1.481   0.261   1.032  0.00  0.00    +0.011 A 
ATOM      6  C   LIG    1        0.131   0.103   1.356  0.00  0.00    +0.046 A 
ENDROOT
BRANCH   4   7
ATOM      7  C   LIG    1        3.466  -0.355  -0.381  0.00  0.00    +0.008 C 
ATOM      8  C   LIG    1        4.470  -0.146   0.487  0.00  0.00    +0.008 C 
BRANCH   8   9
ATOM      9  C   LIG    1        5.876   0.006   0.088  0.00  0.00    -0.025 A 
ATOM     10  C   LIG    1        6.459  -0.778  -0.916  0.00  0.00    +0.008 A 
ATOM     11  C   LIG    1        7.808  -0.623  -1.245  0.00  0.00    +0.001 A 
ATOM     12  C   LIG    1        8.590   0.309  -0.567  0.00  0.00    +0.000 A 
ATOM     13  C   LIG    1        8.026   1.084   0.444  0.00  0.00    +0.001 A 
ATOM     14  C   LIG    1        6.677   0.929   0.774  0.00  0.00    +0.008 A 
ENDBRANCH   8   9
ENDBRANCH   4   7
BRANCH   1  15
ATOM     15  O   LIG    1       -1.963  -0.857   1.093  0.00  0.00    -0.492 OA
BRANCH  15  16
ATOM     16  C   LIG    1       -2.920  -1.601   0.352  0.00  0.00    +0.229 C 
BRANCH  16  17
ATOM     17  C   LIG    1       -3.428  -0.838  -0.871  0.00  0.00    +0.042 C 
BRANCH  17  18
ATOM     18  C   LIG    1       -3.845   0.625  -0.636  0.00  0.00    +0.021 C 
BRANCH  18  20
ATOM     19  C   LIG    1       -6.212  -0.037   0.045  0.00  0.00    +0.022 C 
ATOM     20  C   LIG    1       -5.032   0.904   0.329  0.00  0.00    +0.062 C 
ATOM     21  C   LIG    1       -5.533   2.346   0.068  0.00  0.00    +0.022 C 
BRANCH  20  22
ATOM     22  C   LIG    1       -4.531   0.914   1.784  0.00  0.00    +0.310 C 
ATOM     23  O   LIG    1       -3.670   1.688   2.188  0.00  0.00    -0.250 OA
BRANCH  22  24
ATOM     24  O   LIG    1       -5.111   0.039   2.630  0.00  0.00    -0.480 OA
ATOM     25  H   LIG    1       -5.803  -0.538   2.269  0.00  0.00    +0.295 HD
ENDBRANCH  22  24
ENDBRANCH  20  22
ENDBRANCH  18  20
ENDBRANCH  17  18
ENDBRANCH  16  17
ENDBRANCH  15  16
ENDBRANCH   1  15
TORSDOF 9