REMARK  Name = BDB046030
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.153   1.105  -0.773  0.00  0.00    +0.117 C 
ENDROOT
BRANCH   1   3
ATOM      2  O   LIG    1        0.003   3.280  -1.799  0.00  0.00    -0.276 OA
ATOM      3  C   LIG    1        0.477   2.457  -1.018  0.00  0.00    +0.215 C 
ATOM      4  N   LIG    1        1.591   2.781  -0.300  0.00  0.00    -0.308 N 
ATOM      5  H   LIG    1        2.005   3.665  -0.586  0.00  0.00    +0.149 HD
BRANCH   4   6
ATOM      6  C   LIG    1        2.445   1.910   0.495  0.00  0.00    +0.184 C 
BRANCH   6   7
ATOM      7  C   LIG    1        3.849   1.902  -0.102  0.00  0.00    +0.180 C 
ATOM      8  O   LIG    1        4.256   2.819  -0.817  0.00  0.00    -0.290 OA
BRANCH   7   9
ATOM      9  C   LIG    1        4.759   0.765   0.223  0.00  0.00    +0.019 A 
ATOM     10  C   LIG    1        4.517  -0.105   1.293  0.00  0.00    +0.011 A 
ATOM     11  C   LIG    1        5.400  -1.156   1.553  0.00  0.00    +0.001 A 
ATOM     12  C   LIG    1        6.529  -1.338   0.754  0.00  0.00    +0.000 A 
ATOM     13  C   LIG    1        6.780  -0.469  -0.306  0.00  0.00    +0.001 A 
ATOM     14  C   LIG    1        5.900   0.581  -0.570  0.00  0.00    +0.011 A 
ENDBRANCH   7   9
ENDBRANCH   6   7
ENDBRANCH   4   6
ENDBRANCH   1   3
BRANCH   1  15
ATOM     15  C   LIG    1       -1.399   0.911  -1.637  0.00  0.00    +0.136 C 
BRANCH  15  16
ATOM     16  N   LIG    1       -2.110  -0.332  -1.296  0.00  0.00    -0.297 N 
ATOM     17  C   LIG    1       -1.612  -1.500  -1.874  0.00  0.00    +0.330 A 
ATOM     18  O   LIG    1       -0.631  -1.540  -2.615  0.00  0.00    -0.246 OA
ATOM     19  N   LIG    1       -2.262  -2.654  -1.553  0.00  0.00    -0.275 N 
ATOM     20  H   LIG    1       -1.888  -3.502  -1.945  0.00  0.00    +0.173 HD
ATOM     21  C   LIG    1       -3.210  -2.788  -0.589  0.00  0.00    +0.257 A 
ATOM     22  O   LIG    1       -3.624  -3.887  -0.237  0.00  0.00    -0.267 OA
ATOM     23  C   LIG    1       -3.698  -1.529   0.020  0.00  0.00    +0.036 A 
ATOM     24  C   LIG    1       -4.766  -1.671   1.069  0.00  0.00    +0.042 C 
ATOM     25  C   LIG    1       -4.927  -0.415   1.923  0.00  0.00    +0.005 C 
ATOM     26  C   LIG    1       -4.949   0.824   1.044  0.00  0.00    +0.006 C 
ATOM     27  C   LIG    1       -3.662   0.948   0.223  0.00  0.00    +0.054 C 
ATOM     28  C   LIG    1       -3.154  -0.358  -0.364  0.00  0.00    +0.032 A 
ENDBRANCH  15  16
ENDBRANCH   1  15
TORSDOF 6