REMARK  Name = BDB036833
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.467  -0.915  -1.480  0.00  0.00    +0.133 C 
ATOM      2  N   LIG    1       -2.155   0.134  -0.513  0.00  0.00    -0.289 N 
ATOM      3  C   LIG    1       -0.945   0.215   0.182  0.00  0.00    +0.250 C 
ATOM      4  O   LIG    1       -0.860   0.855   1.230  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   2   5
ATOM      5  C   LIG    1       -3.238   1.039  -0.087  0.00  0.00    +0.163 C 
ATOM      6  C   LIG    1       -4.125   1.560  -1.232  0.00  0.00    +0.240 C 
ATOM      7  O   LIG    1       -3.778   1.599  -2.410  0.00  0.00    -0.273 OA
ATOM      8  N   LIG    1       -5.357   2.051  -0.860  0.00  0.00    -0.255 N 
ATOM      9  H   LIG    1       -5.936   2.397  -1.613  0.00  0.00    +0.158 HD
ATOM     10  C   LIG    1       -5.976   1.931   0.358  0.00  0.00    +0.219 C 
ATOM     11  O   LIG    1       -7.142   2.282   0.511  0.00  0.00    -0.275 OA
ATOM     12  C   LIG    1       -5.138   1.391   1.492  0.00  0.00    +0.098 C 
ATOM     13  C   LIG    1       -4.111   0.389   0.990  0.00  0.00    +0.041 C 
ENDBRANCH   2   5
BRANCH   3  14
ATOM     14  C   LIG    1        0.221  -0.470  -0.354  0.00  0.00    +0.074 A 
ATOM     15  C   LIG    1        1.259  -0.991   0.398  0.00  0.00    +0.121 A 
ATOM     16  N   LIG    1        2.169  -1.499  -0.484  0.00  0.00    -0.266 N 
ATOM     17  N   LIG    1        1.790  -1.361  -1.772  0.00  0.00    -0.179 NA
ATOM     18  C   LIG    1        0.634  -0.695  -1.687  0.00  0.00    +0.147 A 
BRANCH  16  19
ATOM     19  C   LIG    1        3.414  -2.182  -0.156  0.00  0.00    +0.178 C 
BRANCH  19  20
ATOM     20  C   LIG    1        4.492  -1.213   0.264  0.00  0.00    -0.026 A 
ATOM     21  C   LIG    1        4.935  -1.167   1.593  0.00  0.00    +0.005 A 
ATOM     22  C   LIG    1        5.933  -0.268   1.975  0.00  0.00    +0.000 A 
ATOM     23  C   LIG    1        6.497   0.592   1.035  0.00  0.00    +0.000 A 
ATOM     24  C   LIG    1        6.064   0.557  -0.289  0.00  0.00    +0.000 A 
ATOM     25  C   LIG    1        5.067  -0.341  -0.674  0.00  0.00    +0.005 A 
ENDBRANCH  19  20
ENDBRANCH  16  19
ENDBRANCH   3  14
TORSDOF 4