REMARK  Name = BDB017184
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.413   0.723   0.403  0.00  0.00    +0.168 C 
ATOM      2  O   LIG    1       -0.170   1.169   1.524  0.00  0.00    -0.292 OA
ENDROOT
BRANCH   1   5
ATOM      3  N   LIG    1        2.718  -0.454   0.510  0.00  0.00    -0.302 NA
ATOM      4  C   LIG    1        2.091   0.724  -0.090  0.00  0.00    +0.095 C 
ATOM      5  C   LIG    1        0.676   0.397  -0.627  0.00  0.00    +0.074 C 
ATOM      6  C   LIG    1        0.574  -1.063  -1.111  0.00  0.00    +0.014 C 
ATOM      7  C   LIG    1        1.929  -1.587  -1.571  0.00  0.00    +0.016 C 
ATOM      8  C   LIG    1        2.966  -1.535  -0.444  0.00  0.00    +0.084 C 
BRANCH   3   9
ATOM      9  C   LIG    1        3.860  -0.156   1.377  0.00  0.00    +0.084 C 
BRANCH   9  11
ATOM     10  C   LIG    1        6.158   0.826   1.710  0.00  0.00    +0.005 C 
ATOM     11  C   LIG    1        5.026   0.595   0.719  0.00  0.00    +0.012 C 
ENDBRANCH   9  11
ENDBRANCH   3   9
ENDBRANCH   1   5
BRANCH   1  12
ATOM     12  C   LIG    1       -1.848   0.524   0.042  0.00  0.00    +0.025 A 
ATOM     13  C   LIG    1       -2.758   0.267   1.077  0.00  0.00    +0.057 A 
ATOM     14  C   LIG    1       -4.110   0.080   0.791  0.00  0.00    +0.124 A 
ATOM     15  C   LIG    1       -4.552   0.155  -0.534  0.00  0.00    +0.091 A 
ATOM     16  C   LIG    1       -3.656   0.425  -1.569  0.00  0.00    +0.124 A 
ATOM     17  C   LIG    1       -2.304   0.614  -1.276  0.00  0.00    +0.057 A 
BRANCH  14  18
ATOM     18  O   LIG    1       -5.094  -0.183   1.705  0.00  0.00    -0.495 OA
ATOM     19  C   LIG    1       -4.707  -0.224   3.074  0.00  0.00    +0.277 C 
ENDBRANCH  14  18
BRANCH  16  20
ATOM     20  O   LIG    1       -3.969   0.532  -2.897  0.00  0.00    -0.495 OA
ATOM     21  C   LIG    1       -5.337   0.363  -3.250  0.00  0.00    +0.277 C 
ENDBRANCH  16  20
ENDBRANCH   1  12
TORSDOF 6