REMARK  Name = BDB017230
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.285   1.164  -1.387  0.00  0.00    +0.168 C 
ATOM      2  O   LIG    1       -0.207   1.901  -2.371  0.00  0.00    -0.292 OA
ENDROOT
BRANCH   1   3
ATOM      3  C   LIG    1        0.981   0.752  -0.743  0.00  0.00    +0.018 A 
ATOM      4  C   LIG    1        1.942   0.112  -1.533  0.00  0.00    +0.020 A 
ATOM      5  C   LIG    1        3.161  -0.300  -0.972  0.00  0.00    -0.017 A 
ATOM      6  C   LIG    1        3.414  -0.051   0.395  0.00  0.00    -0.014 A 
ATOM      7  C   LIG    1        4.634  -0.468   0.952  0.00  0.00    +0.054 A 
ATOM      8  C   LIG    1        5.599  -1.122   0.180  0.00  0.00    +0.121 A 
ATOM      9  C   LIG    1        5.345  -1.364  -1.169  0.00  0.00    +0.046 A 
ATOM     10  C   LIG    1        2.447   0.616   1.166  0.00  0.00    +0.009 A 
ATOM     11  C   LIG    1        4.135  -0.955  -1.740  0.00  0.00    +0.012 A 
ATOM     12  C   LIG    1        1.238   1.023   0.600  0.00  0.00    +0.012 A 
BRANCH   8  13
ATOM     13  O   LIG    1        6.735  -1.468   0.859  0.00  0.00    -0.495 OA
ATOM     14  C   LIG    1        7.755  -2.124   0.117  0.00  0.00    +0.277 C 
ENDBRANCH   8  13
ENDBRANCH   1   3
BRANCH   1  16
ATOM     15  C   LIG    1       -2.632   1.770  -0.523  0.00  0.00    +0.002 C 
ATOM     16  C   LIG    1       -1.634   0.640  -0.891  0.00  0.00    +0.077 C 
ATOM     17  C   LIG    1       -1.600  -0.452   0.189  0.00  0.00    +0.096 C 
ATOM     18  N   LIG    1       -2.904  -1.094   0.420  0.00  0.00    -0.299 NA
ATOM     19  C   LIG    1       -4.051  -0.306  -0.055  0.00  0.00    +0.085 C 
ATOM     20  C   LIG    1       -3.856   1.184   0.218  0.00  0.00    +0.019 C 
BRANCH  18  21
ATOM     21  C   LIG    1       -3.073  -2.494   0.011  0.00  0.00    +0.057 C 
ATOM     22  C   LIG    1       -2.450  -2.862  -1.353  0.00  0.00    +0.019 C 
ATOM     23  C   LIG    1       -1.975  -4.174  -0.682  0.00  0.00    +0.003 C 
ATOM     24  C   LIG    1       -2.047  -3.436   0.676  0.00  0.00    +0.019 C 
ENDBRANCH  18  21
BRANCH  15  25
ATOM     25  C   LIG    1       -2.009   2.924   0.295  0.00  0.00    +0.004 C 
BRANCH  25  27
ATOM     26  C   LIG    1       -2.298   5.238   1.256  0.00  0.00    +0.004 C 
ATOM     27  C   LIG    1       -2.975   4.093   0.517  0.00  0.00    -0.003 C 
ENDBRANCH  25  27
ENDBRANCH  15  25
ENDBRANCH   1  16
TORSDOF 6