REMARK  Name = BDB017177
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.718  -1.141  -0.600  0.00  0.00    +0.168 C 
ATOM      2  O   LIG    1        0.221  -2.167  -1.064  0.00  0.00    -0.292 OA
ENDROOT
BRANCH   1   5
ATOM      3  N   LIG    1       -2.419   0.862   0.235  0.00  0.00    -0.302 NA
ATOM      4  C   LIG    1       -1.583  -0.145  -0.440  0.00  0.00    +0.095 C 
ATOM      5  C   LIG    1       -0.138  -0.082   0.088  0.00  0.00    +0.074 C 
ATOM      6  C   LIG    1       -0.123  -0.291   1.606  0.00  0.00    +0.014 C 
ATOM      7  C   LIG    1       -1.079   0.680   2.293  0.00  0.00    +0.016 C 
ATOM      8  C   LIG    1       -2.480   0.619   1.680  0.00  0.00    +0.084 C 
BRANCH   3   9
ATOM      9  C   LIG    1       -3.747   1.003  -0.379  0.00  0.00    +0.084 C 
BRANCH   9  11
ATOM     10  C   LIG    1       -6.003   0.065  -1.000  0.00  0.00    +0.005 C 
ATOM     11  C   LIG    1       -4.666  -0.225  -0.332  0.00  0.00    +0.012 C 
ENDBRANCH   9  11
ENDBRANCH   3   9
ENDBRANCH   1   5
BRANCH   1  12
ATOM     12  C   LIG    1        2.201  -0.953  -0.704  0.00  0.00    +0.021 A 
ATOM     13  C   LIG    1        2.869   0.157  -0.176  0.00  0.00    +0.057 A 
ATOM     14  C   LIG    1        4.259   0.284  -0.300  0.00  0.00    +0.121 A 
ATOM     15  C   LIG    1        4.986  -0.708  -0.958  0.00  0.00    +0.045 A 
ATOM     16  C   LIG    1        4.329  -1.819  -1.489  0.00  0.00    +0.004 A 
ATOM     17  C   LIG    1        2.945  -1.941  -1.362  0.00  0.00    +0.011 A 
BRANCH  14  18
ATOM     18  O   LIG    1        4.776   1.417   0.265  0.00  0.00    -0.495 OA
ATOM     19  C   LIG    1        6.183   1.605   0.163  0.00  0.00    +0.277 C 
ENDBRANCH  14  18
ENDBRANCH   1  12
TORSDOF 5