REMARK  Name = BDB047395
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.625   0.279   2.752  0.00  0.00    +0.160 C 
ENDROOT
BRANCH   1   3
ATOM      2  C   LIG    1       -1.615  -1.590   1.323  0.00  0.00    +0.126 A 
ATOM      3  C   LIG    1       -0.995  -1.177   2.519  0.00  0.00    +0.023 A 
ATOM      4  C   LIG    1       -0.685  -2.144   3.494  0.00  0.00    +0.010 A 
ATOM      5  C   LIG    1       -0.990  -3.489   3.293  0.00  0.00    +0.001 A 
ATOM      6  C   LIG    1       -1.607  -3.887   2.113  0.00  0.00    +0.004 A 
ATOM      7  C   LIG    1       -1.919  -2.943   1.131  0.00  0.00    +0.046 A 
BRANCH   2   8
ATOM      8  O   LIG    1       -1.884  -0.600   0.414  0.00  0.00    -0.492 OA
BRANCH   8   9
ATOM      9  C   LIG    1       -2.448  -0.977  -0.839  0.00  0.00    +0.229 C 
BRANCH   9  10
ATOM     10  C   LIG    1       -2.603   0.274  -1.705  0.00  0.00    +0.041 C 
BRANCH  10  11
ATOM     11  C   LIG    1       -3.427   1.396  -1.063  0.00  0.00    +0.003 C 
BRANCH  11  13
ATOM     12  C   LIG    1       -5.713   0.562  -1.831  0.00  0.00    +0.004 C 
ATOM     13  C   LIG    1       -4.855   1.020  -0.662  0.00  0.00    -0.003 C 
ENDBRANCH  11  13
ENDBRANCH  10  11
ENDBRANCH   9  10
ENDBRANCH   8   9
ENDBRANCH   2   8
ENDBRANCH   1   3
BRANCH   1  14
ATOM     14  O   LIG    1       -0.882   0.605   4.129  0.00  0.00    -0.386 OA
ATOM     15  H   LIG    1       -0.944   1.574   4.176  0.00  0.00    +0.210 HD
ENDBRANCH   1  14
BRANCH   1  16
ATOM     16  C   LIG    1        0.854   0.576   2.446  0.00  0.00    +0.125 C 
BRANCH  16  17
ATOM     17  C   LIG    1        1.149   0.627   1.005  0.00  0.00    -0.099 C 
ATOM     18  C   LIG    1        1.389   0.661  -0.172  0.00  0.00    -0.102 C 
BRANCH  18  19
ATOM     19  C   LIG    1        1.668   0.686  -1.614  0.00  0.00    +0.089 C 
BRANCH  19  20
ATOM     20  C   LIG    1        3.108   0.287  -1.931  0.00  0.00    +0.024 C 
BRANCH  20  21
ATOM     21  C   LIG    1        4.130   1.313  -1.438  0.00  0.00    +0.121 C 
BRANCH  21  22
ATOM     22  C   LIG    1        5.537   0.937  -1.839  0.00  0.00    +0.307 C 
ATOM     23  O   LIG    1        5.852  -0.051  -2.487  0.00  0.00    -0.251 OA
BRANCH  22  24
ATOM     24  O   LIG    1        6.407   1.876  -1.371  0.00  0.00    -0.468 OA
ATOM     25  C   LIG    1        7.773   1.613  -1.694  0.00  0.00    +0.280 C 
ENDBRANCH  22  24
ENDBRANCH  21  22
ENDBRANCH  20  21
ENDBRANCH  19  20
ENDBRANCH  18  19
ENDBRANCH  16  17
ENDBRANCH   1  16
TORSDOF 14