REMARK  Name = BDB032800
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.467   0.775  -1.726  0.00  0.00    -0.010 A 
ATOM      2  C   LIG    1       -2.238   1.235  -0.647  0.00  0.00    +0.020 A 
ATOM      3  C   LIG    1       -3.545   0.794  -0.557  0.00  0.00    +0.042 A 
ATOM      4  C   LIG    1       -4.558   1.111   0.455  0.00  0.00    +0.248 C 
ATOM      5  N   LIG    1       -5.726   0.471   0.068  0.00  0.00    -0.282 N 
ATOM      6  C   LIG    1       -5.521  -0.387  -1.093  0.00  0.00    +0.144 C 
ATOM      7  O   LIG    1       -4.375   1.809   1.435  0.00  0.00    -0.270 OA
ATOM      8  C   LIG    1       -4.112  -0.084  -1.478  0.00  0.00    -0.018 A 
ATOM      9  C   LIG    1       -3.364  -0.558  -2.540  0.00  0.00    +0.006 A 
ATOM     10  C   LIG    1       -2.037  -0.125  -2.658  0.00  0.00    +0.007 A 
ENDROOT
BRANCH   5  11
ATOM     11  C   LIG    1       -6.875   0.359   0.959  0.00  0.00    +0.163 C 
ATOM     12  C   LIG    1       -6.876  -0.960   1.749  0.00  0.00    +0.240 C 
ATOM     13  O   LIG    1       -5.929  -1.741   1.804  0.00  0.00    -0.273 OA
ATOM     14  N   LIG    1       -8.048  -1.244   2.414  0.00  0.00    -0.255 N 
ATOM     15  H   LIG    1       -8.045  -2.122   2.917  0.00  0.00    +0.158 HD
ATOM     16  C   LIG    1       -9.294  -0.791   2.064  0.00  0.00    +0.219 C 
ATOM     17  O   LIG    1      -10.308  -1.374   2.438  0.00  0.00    -0.275 OA
ATOM     18  C   LIG    1       -9.346   0.461   1.220  0.00  0.00    +0.098 C 
ATOM     19  C   LIG    1       -8.202   0.494   0.217  0.00  0.00    +0.041 C 
ENDBRANCH   5  11
BRANCH   1  20
ATOM     20  C   LIG    1       -0.027   1.202  -1.861  0.00  0.00    +0.269 C 
BRANCH  20  21
ATOM     21  O   LIG    1        0.759   0.342  -1.034  0.00  0.00    -0.446 OA
BRANCH  21  24
ATOM     22  N   LIG    1        2.741  -0.253  -0.259  0.00  0.00    -0.276 N 
ATOM     23  H   LIG    1        2.129  -0.892   0.231  0.00  0.00    +0.153 HD
ATOM     24  C   LIG    1        2.085   0.605  -1.089  0.00  0.00    +0.401 C 
ATOM     25  O   LIG    1        2.605   1.472  -1.775  0.00  0.00    -0.226 OA
BRANCH  22  28
ATOM     26  C   LIG    1        6.068  -0.270   0.218  0.00  0.00    -0.019 C 
ATOM     27  C   LIG    1        5.240  -0.488  -1.127  0.00  0.00    +0.033 C 
ATOM     28  C   LIG    1        4.144  -0.246  -0.070  0.00  0.00    +0.039 C 
ATOM     29  C   LIG    1        4.939  -1.192   0.859  0.00  0.00    +0.033 C 
ATOM     30  C   LIG    1        5.017   0.901   0.477  0.00  0.00    +0.033 C 
BRANCH  26  32
ATOM     31  C   LIG    1        8.200   0.806  -0.417  0.00  0.00    +0.011 C 
ATOM     32  C   LIG    1        7.547  -0.286   0.438  0.00  0.00    -0.032 C 
ATOM     33  C   LIG    1        8.106  -1.656   0.035  0.00  0.00    +0.011 C 
ATOM     34  C   LIG    1        7.844  -0.025   1.919  0.00  0.00    +0.011 C 
ENDBRANCH  26  32
ENDBRANCH  22  28
ENDBRANCH  21  24
ENDBRANCH  20  21
ENDBRANCH   1  20
TORSDOF 6