REMARK  Name = BDB017192
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.532   0.305   0.993  0.00  0.00    +0.171 C 
ATOM      2  O   LIG    1        1.812   1.044   1.933  0.00  0.00    -0.292 OA
ENDROOT
BRANCH   1   4
ATOM      3  C   LIG    1        3.629  -0.052  -0.307  0.00  0.00    +0.131 A 
ATOM      4  C   LIG    1        2.587  -0.579   0.459  0.00  0.00    +0.059 A 
ATOM      5  C   LIG    1        2.538  -1.947   0.744  0.00  0.00    +0.015 A 
ATOM      6  C   LIG    1        3.529  -2.790   0.239  0.00  0.00    +0.001 A 
ATOM      7  C   LIG    1        4.559  -2.268  -0.547  0.00  0.00    +0.004 A 
ATOM      8  C   LIG    1        4.606  -0.901  -0.828  0.00  0.00    +0.046 A 
BRANCH   3  10
ATOM      9  C   LIG    1        4.569   1.981   0.195  0.00  0.00    +0.277 C 
ATOM     10  O   LIG    1        3.649   1.276  -0.642  0.00  0.00    -0.494 OA
ENDBRANCH   3  10
ENDBRANCH   1   4
BRANCH   1  11
ATOM     11  C   LIG    1        0.138   0.183   0.383  0.00  0.00    +0.074 C 
ATOM     12  C   LIG    1       -0.828   1.157   1.082  0.00  0.00    +0.095 C 
ATOM     13  N   LIG    1       -2.195   1.159   0.524  0.00  0.00    -0.301 NA
ATOM     14  C   LIG    1       -2.154   1.440  -0.917  0.00  0.00    +0.084 C 
ATOM     15  C   LIG    1       -1.249   0.495  -1.707  0.00  0.00    +0.016 C 
ATOM     16  C   LIG    1        0.162   0.455  -1.126  0.00  0.00    +0.014 C 
BRANCH  13  17
ATOM     17  C   LIG    1       -2.929  -0.060   0.877  0.00  0.00    +0.088 C 
BRANCH  17  18
ATOM     18  C   LIG    1       -4.399   0.115   0.628  0.00  0.00    +0.003 C 
ATOM     19  C   LIG    1       -5.322  -1.074   0.743  0.00  0.00    +0.005 C 
ATOM     20  C   LIG    1       -5.061  -0.459  -0.602  0.00  0.00    +0.005 C 
ENDBRANCH  17  18
ENDBRANCH  13  17
ENDBRANCH   1  11
TORSDOF 5