REMARK  Name = BDB045904
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.048  -1.724   0.761  0.00  0.00    +0.121 A 
ATOM      2  C   LIG    1       -0.152  -0.533   0.044  0.00  0.00    +0.046 A 
ATOM      3  C   LIG    1       -1.379  -0.147  -0.508  0.00  0.00    +0.007 A 
ATOM      4  C   LIG    1       -2.517  -0.947  -0.352  0.00  0.00    -0.045 A 
ATOM      5  C   LIG    1       -2.409  -2.141   0.368  0.00  0.00    +0.007 A 
ATOM      6  C   LIG    1       -1.183  -2.523   0.917  0.00  0.00    +0.046 A 
ENDROOT
BRANCH   1   7
ATOM      7  O   LIG    1        1.081  -2.226   1.347  0.00  0.00    -0.492 OA
BRANCH   7   8
ATOM      8  C   LIG    1        2.296  -1.478   1.249  0.00  0.00    +0.235 C 
BRANCH   8   9
ATOM      9  C   LIG    1        3.034  -1.805  -0.048  0.00  0.00    +0.100 C 
BRANCH   9  12
ATOM     10  C   LIG    1        3.687   0.515  -2.392  0.00  0.00    +0.088 C 
ATOM     11  C   LIG    1        4.445   0.014  -1.233  0.00  0.00    +0.126 A 
ATOM     12  C   LIG    1        4.214  -0.930  -0.256  0.00  0.00    +0.086 A 
ATOM     13  N   LIG    1        5.293  -0.981   0.597  0.00  0.00    -0.214 NA
ATOM     14  C   LIG    1        6.134  -0.083   0.116  0.00  0.00    +0.228 A 
ATOM     15  O   LIG    1        5.673   0.565  -1.002  0.00  0.00    -0.440 OA
BRANCH  14  16
ATOM     16  C   LIG    1        7.453   0.304   0.609  0.00  0.00    +0.037 A 
ATOM     17  C   LIG    1        8.223   1.292  -0.023  0.00  0.00    +0.013 A 
ATOM     18  C   LIG    1        9.482   1.643   0.472  0.00  0.00    +0.001 A 
ATOM     19  C   LIG    1        9.988   1.009   1.605  0.00  0.00    +0.000 A 
ATOM     20  C   LIG    1        9.237   0.025   2.244  0.00  0.00    +0.001 A 
ATOM     21  C   LIG    1        7.978  -0.325   1.749  0.00  0.00    +0.013 A 
ENDBRANCH  14  16
ENDBRANCH   9  12
ENDBRANCH   8   9
ENDBRANCH   7   8
ENDBRANCH   1   7
BRANCH   4  22
ATOM     22  C   LIG    1       -3.848  -0.517  -0.931  0.00  0.00    +0.065 C 
BRANCH  22  23
ATOM     23  C   LIG    1       -4.768   0.158   0.110  0.00  0.00    +0.170 C 
BRANCH  23  24
ATOM     24  N   LIG    1       -6.180   0.229  -0.365  0.00  0.00    -0.285 NA
ATOM     25  C   LIG    1       -7.115   0.606   0.716  0.00  0.00    +0.113 C 
ATOM     26  C   LIG    1       -8.569   0.588   0.217  0.00  0.00    +0.175 C 
ATOM     27  O   LIG    1       -8.743   1.473  -0.898  0.00  0.00    -0.377 OA
ATOM     28  C   LIG    1       -7.869   1.093  -1.969  0.00  0.00    +0.175 C 
ATOM     29  C   LIG    1       -6.396   1.120  -1.524  0.00  0.00    +0.113 C 
ENDBRANCH  23  24
BRANCH  23  30
ATOM     30  C   LIG    1       -4.200   1.528   0.495  0.00  0.00    +0.322 C 
ATOM     31  O   LIG    1       -3.704   2.358  -0.253  0.00  0.00    -0.249 OA
BRANCH  30  32
ATOM     32  O   LIG    1       -4.323   1.797   1.813  0.00  0.00    -0.480 OA
ATOM     33  H   LIG    1       -3.934   2.691   1.910  0.00  0.00    +0.295 HD
ENDBRANCH  30  32
ENDBRANCH  23  30
ENDBRANCH  22  23
ENDBRANCH   4  22
TORSDOF 10