REMARK  Name = BDB046725
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -4.236  -0.511   0.494  0.00  0.00    -0.046 A 
ATOM      2  C   LIG    1       -3.932   0.082   1.724  0.00  0.00    +0.007 A 
ATOM      3  C   LIG    1       -2.619   0.456   2.018  0.00  0.00    +0.046 A 
ATOM      4  C   LIG    1       -1.590   0.245   1.098  0.00  0.00    +0.121 A 
ATOM      5  C   LIG    1       -1.888  -0.353  -0.125  0.00  0.00    +0.046 A 
ATOM      6  C   LIG    1       -3.203  -0.728  -0.425  0.00  0.00    +0.007 A 
ENDROOT
BRANCH   1   7
ATOM      7  C   LIG    1       -5.661  -0.886   0.153  0.00  0.00    +0.059 C 
BRANCH   7   8
ATOM      8  C   LIG    1       -6.329   0.090  -0.827  0.00  0.00    +0.187 C 
BRANCH   8   9
ATOM      9  C   LIG    1       -6.615   1.408  -0.139  0.00  0.00    +0.225 C 
ATOM     10  O   LIG    1       -7.647   1.654   0.474  0.00  0.00    -0.275 OA
ATOM     11  N   LIG    1       -5.622   2.346  -0.217  0.00  0.00    -0.329 N 
ATOM     12  H   LIG    1       -4.660   2.073  -0.382  0.00  0.00    +0.145 HD
ATOM     13  H   LIG    1       -5.763   3.181   0.338  0.00  0.00    +0.145 HD
ENDBRANCH   8   9
BRANCH   8  14
ATOM     14  C   LIG    1       -7.596  -0.515  -1.386  0.00  0.00    +0.319 C 
ATOM     15  O   LIG    1       -8.056  -1.606  -1.073  0.00  0.00    -0.250 OA
BRANCH  14  17
ATOM     16  C   LIG    1       -9.342  -0.182  -2.914  0.00  0.00    +0.280 C 
ATOM     17  O   LIG    1       -8.123   0.299  -2.346  0.00  0.00    -0.467 OA
ENDBRANCH  14  17
ENDBRANCH   8  14
ENDBRANCH   7   8
ENDBRANCH   1   7
BRANCH   4  18
ATOM     18  O   LIG    1       -0.360   0.659   1.524  0.00  0.00    -0.489 OA
BRANCH  18  19
ATOM     19  C   LIG    1        0.761   0.496   0.655  0.00  0.00    +0.270 C 
BRANCH  19  20
ATOM     20  C   LIG    1        1.387  -0.890   0.808  0.00  0.00    +0.270 C 
BRANCH  20  21
ATOM     21  O   LIG    1        2.496  -1.055  -0.074  0.00  0.00    -0.489 OA
BRANCH  21  22
ATOM     22  C   LIG    1        3.734  -0.653   0.343  0.00  0.00    +0.121 A 
ATOM     23  C   LIG    1        4.758  -0.891  -0.578  0.00  0.00    +0.049 A 
ATOM     24  C   LIG    1        6.087  -0.527  -0.305  0.00  0.00    -0.041 A 
ATOM     25  C   LIG    1        7.157  -0.840  -1.322  0.00  0.00    +0.035 C 
ATOM     26  C   LIG    1        8.457  -0.073  -1.083  0.00  0.00    +0.005 C 
ATOM     27  C   LIG    1        8.861  -0.156   0.383  0.00  0.00    +0.005 C 
ATOM     28  C   LIG    1        7.801   0.497   1.268  0.00  0.00    +0.035 C 
ATOM     29  C   LIG    1        6.396   0.065   0.929  0.00  0.00    -0.044 A 
ATOM     30  C   LIG    1        5.364   0.313   1.845  0.00  0.00    +0.007 A 
ATOM     31  C   LIG    1        4.043  -0.045   1.556  0.00  0.00    +0.046 A 
ENDBRANCH  21  22
ENDBRANCH  20  21
ENDBRANCH  19  20
ENDBRANCH  18  19
ENDBRANCH   4  18
TORSDOF 10