REMARK  Name = BDB001840
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.522   0.271   1.802  0.00  0.00    -0.047 A 
ATOM      2  C   LIG    1       -1.156   1.364   1.199  0.00  0.00    +0.004 A 
ATOM      3  C   LIG    1       -2.340   1.191   0.479  0.00  0.00    +0.004 A 
ATOM      4  C   LIG    1       -2.913  -0.080   0.350  0.00  0.00    -0.046 A 
ATOM      5  C   LIG    1       -2.283  -1.172   0.959  0.00  0.00    +0.004 A 
ATOM      6  C   LIG    1       -1.097  -0.999   1.677  0.00  0.00    +0.004 A 
ENDROOT
BRANCH   1   7
ATOM      7  C   LIG    1        0.761   0.460   2.574  0.00  0.00    +0.035 C 
BRANCH   7   8
ATOM      8  C   LIG    1        1.966   0.789   1.687  0.00  0.00    +0.011 C 
BRANCH   8   9
ATOM      9  C   LIG    1        2.356  -0.368   0.763  0.00  0.00    +0.059 C 
BRANCH   9  12
ATOM     10  C   LIG    1        2.701   1.124  -2.238  0.00  0.00    +0.088 C 
ATOM     11  C   LIG    1        3.662   0.567  -1.272  0.00  0.00    +0.126 A 
ATOM     12  C   LIG    1        3.564  -0.049  -0.042  0.00  0.00    +0.083 A 
ATOM     13  N   LIG    1        4.824  -0.367   0.413  0.00  0.00    -0.214 NA
ATOM     14  C   LIG    1        5.633   0.056  -0.541  0.00  0.00    +0.228 A 
ATOM     15  O   LIG    1        4.985   0.636  -1.602  0.00  0.00    -0.440 OA
BRANCH  14  16
ATOM     16  C   LIG    1        7.090  -0.011  -0.612  0.00  0.00    +0.037 A 
ATOM     17  C   LIG    1        7.809  -0.593   0.444  0.00  0.00    +0.013 A 
ATOM     18  C   LIG    1        9.203  -0.671   0.404  0.00  0.00    +0.001 A 
ATOM     19  C   LIG    1        9.898  -0.168  -0.693  0.00  0.00    +0.000 A 
ATOM     20  C   LIG    1        9.201   0.414  -1.750  0.00  0.00    +0.001 A 
ATOM     21  C   LIG    1        7.806   0.492  -1.710  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       -4.203  -0.273  -0.412  0.00  0.00    +0.054 C 
BRANCH  22  23
ATOM     23  C   LIG    1       -5.462  -0.217   0.477  0.00  0.00    +0.133 C 
BRANCH  23  24
ATOM     24  C   LIG    1       -6.712  -0.830  -0.140  0.00  0.00    -0.015 A 
ATOM     25  C   LIG    1       -7.798  -1.125   0.687  0.00  0.00    +0.115 A 
ATOM     26  N   LIG    1       -8.967  -1.644   0.252  0.00  0.00    -0.263 NA
ATOM     27  C   LIG    1       -9.074  -1.891  -1.069  0.00  0.00    +0.111 A 
ATOM     28  C   LIG    1       -8.063  -1.635  -1.977  0.00  0.00    +0.020 A 
ATOM     29  C   LIG    1       -6.868  -1.094  -1.506  0.00  0.00    +0.007 A 
ENDBRANCH  23  24
BRANCH  23  30
ATOM     30  C   LIG    1       -5.709   1.222   0.923  0.00  0.00    +0.313 C 
ATOM     31  O   LIG    1       -5.373   1.659   2.015  0.00  0.00    -0.250 OA
BRANCH  30  32
ATOM     32  O   LIG    1       -6.314   2.013   0.006  0.00  0.00    -0.480 OA
ATOM     33  H   LIG    1       -6.616   1.552  -0.800  0.00  0.00    +0.295 HD
ENDBRANCH  30  32
ENDBRANCH  23  30
ENDBRANCH  22  23
ENDBRANCH   4  22
TORSDOF 10