REMARK  Name = BDB054184
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.374  -0.197   2.760  0.00  0.00    +0.157 C 
ATOM      2  O   LIG    1       -0.527   0.518   3.207  0.00  0.00    -0.293 OA
ENDROOT
BRANCH   1   4
ATOM      3  C   LIG    1        2.024  -2.025   3.569  0.00  0.00    +0.063 C 
ATOM      4  C   LIG    1        1.046  -1.123   3.715  0.00  0.00    +0.055 C 
BRANCH   3   6
ATOM      5  C   LIG    1        3.313  -2.648   1.377  0.00  0.00    -0.070 C 
ATOM      6  C   LIG    1        2.713  -2.350   2.374  0.00  0.00    -0.069 C 
BRANCH   5   8
ATOM      7  C   LIG    1        4.568  -2.109  -0.639  0.00  0.00    -0.018 C 
ATOM      8  C   LIG    1        4.010  -3.002   0.192  0.00  0.00    +0.056 C 
BRANCH   7   9
ATOM      9  C   LIG    1        4.593  -0.614  -0.482  0.00  0.00    +0.027 C 
BRANCH   9  11
ATOM     10  C   LIG    1        3.732   1.579  -1.377  0.00  0.00    +0.004 C 
ATOM     11  C   LIG    1        3.736   0.068  -1.549  0.00  0.00    +0.001 C 
ENDBRANCH   9  11
ENDBRANCH   7   9
ENDBRANCH   5   8
ENDBRANCH   3   6
ENDBRANCH   1   4
BRANCH   1  12
ATOM     12  C   LIG    1        0.751  -0.125   1.297  0.00  0.00    +0.079 C 
BRANCH  12  13
ATOM     13  C   LIG    1        0.037  -1.179   0.453  0.00  0.00    +0.008 C 
BRANCH  13  14
ATOM     14  C   LIG    1       -1.486  -1.025   0.376  0.00  0.00    +0.000 C 
BRANCH  14  15
ATOM     15  C   LIG    1       -1.938   0.275  -0.293  0.00  0.00    +0.000 C 
BRANCH  15  16
ATOM     16  C   LIG    1       -3.459   0.315  -0.453  0.00  0.00    +0.001 C 
BRANCH  16  17
ATOM     17  C   LIG    1       -3.914   1.610  -1.128  0.00  0.00    +0.011 C 
BRANCH  17  18
ATOM     18  C   LIG    1       -5.430   1.650  -1.283  0.00  0.00    +0.120 C 
BRANCH  18  19
ATOM     19  C   LIG    1       -5.867   2.927  -1.940  0.00  0.00    +0.305 C 
ATOM     20  O   LIG    1       -6.362   3.893  -1.386  0.00  0.00    -0.251 OA
BRANCH  19  21
ATOM     21  O   LIG    1       -5.652   2.930  -3.269  0.00  0.00    -0.481 OA
ATOM     22  H   LIG    1       -5.974   3.810  -3.558  0.00  0.00    +0.295 HD
ENDBRANCH  19  21
ENDBRANCH  18  19
ENDBRANCH  17  18
ENDBRANCH  16  17
ENDBRANCH  15  16
ENDBRANCH  14  15
ENDBRANCH  13  14
ENDBRANCH  12  13
ENDBRANCH   1  12
TORSDOF 14