REMARK  Name = BDB047393
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.971   0.920   1.523  0.00  0.00    +0.160 C 
ENDROOT
BRANCH   1   3
ATOM      2  C   LIG    1       -1.496   0.894   2.140  0.00  0.00    +0.126 A 
ATOM      3  C   LIG    1       -0.150   1.011   2.546  0.00  0.00    +0.023 A 
ATOM      4  C   LIG    1        0.135   1.182   3.912  0.00  0.00    +0.010 A 
ATOM      5  C   LIG    1       -0.890   1.251   4.855  0.00  0.00    +0.001 A 
ATOM      6  C   LIG    1       -2.214   1.145   4.445  0.00  0.00    +0.004 A 
ATOM      7  C   LIG    1       -2.518   0.966   3.094  0.00  0.00    +0.046 A 
BRANCH   2   8
ATOM      8  O   LIG    1       -1.697   0.703   0.797  0.00  0.00    -0.492 OA
BRANCH   8   9
ATOM      9  C   LIG    1       -3.046   0.620   0.333  0.00  0.00    +0.229 C 
BRANCH   9  10
ATOM     10  C   LIG    1       -3.004   0.421  -1.178  0.00  0.00    +0.041 C 
BRANCH  10  11
ATOM     11  C   LIG    1       -4.369   0.479  -1.868  0.00  0.00    +0.003 C 
BRANCH  11  13
ATOM     12  C   LIG    1       -6.311  -0.147  -0.338  0.00  0.00    +0.004 C 
ATOM     13  C   LIG    1       -5.358  -0.606  -1.434  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        2.147   1.573   2.030  0.00  0.00    -0.386 OA
ATOM     15  H   LIG    1        2.806   1.533   1.315  0.00  0.00    +0.210 HD
ENDBRANCH   1  14
BRANCH   1  16
ATOM     16  C   LIG    1        1.294  -0.546   1.183  0.00  0.00    +0.125 C 
BRANCH  16  17
ATOM     17  C   LIG    1        2.197  -0.644   0.018  0.00  0.00    -0.099 C 
ATOM     18  C   LIG    1        2.933  -0.717  -0.929  0.00  0.00    -0.102 C 
BRANCH  18  19
ATOM     19  C   LIG    1        3.833  -0.797  -2.089  0.00  0.00    +0.089 C 
BRANCH  19  20
ATOM     20  C   LIG    1        4.970  -1.789  -1.831  0.00  0.00    +0.024 C 
BRANCH  20  21
ATOM     21  C   LIG    1        5.888  -1.950  -3.037  0.00  0.00    +0.121 C 
BRANCH  21  22
ATOM     22  C   LIG    1        6.690  -0.708  -3.299  0.00  0.00    +0.305 C 
ATOM     23  O   LIG    1        6.411   0.172  -4.095  0.00  0.00    -0.251 OA
BRANCH  22  24
ATOM     24  O   LIG    1        7.785  -0.619  -2.522  0.00  0.00    -0.481 OA
ATOM     25  H   LIG    1        8.198   0.232  -2.781  0.00  0.00    +0.295 HD
ENDBRANCH  22  24
ENDBRANCH  21  22
ENDBRANCH  20  21
ENDBRANCH  19  20
ENDBRANCH  18  19
ENDBRANCH  16  17
ENDBRANCH   1  16
TORSDOF 14