REMARK  Name = BDB007083
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.392   0.337   0.996  0.00  0.00    +0.037 A 
ATOM      2  C   LIG    1       -0.658  -0.966   1.443  0.00  0.00    +0.023 A 
ATOM      3  C   LIG    1       -1.785  -1.653   0.952  0.00  0.00    +0.001 A 
ATOM      4  C   LIG    1       -2.315  -2.951   1.181  0.00  0.00    +0.027 A 
ATOM      5  C   LIG    1       -3.449  -3.083   0.414  0.00  0.00    +0.087 A 
ATOM      6  N   LIG    1       -3.644  -1.901  -0.259  0.00  0.00    -0.342 N 
ATOM      7  C   LIG    1       -2.627  -1.013   0.037  0.00  0.00    +0.049 A 
ATOM      8  C   LIG    1       -2.381   0.296  -0.407  0.00  0.00    +0.027 A 
ATOM      9  C   LIG    1       -1.254   0.961   0.090  0.00  0.00    +0.015 A 
ENDROOT
BRANCH   1  12
ATOM     10  N   LIG    1        1.402   1.958   0.703  0.00  0.00    -0.307 N 
ATOM     11  H   LIG    1        1.145   1.962  -0.274  0.00  0.00    +0.149 HD
ATOM     12  C   LIG    1        0.813   1.028   1.534  0.00  0.00    +0.244 C 
ATOM     13  O   LIG    1        1.250   0.734   2.641  0.00  0.00    -0.270 OA
BRANCH  10  14
ATOM     14  C   LIG    1        2.658   2.586   1.047  0.00  0.00    +0.140 C 
BRANCH  14  18
ATOM     15  C   LIG    1        5.930   0.536  -0.901  0.00  0.00    +0.162 A 
ATOM     16  C   LIG    1        5.354  -0.001   0.267  0.00  0.00    +0.162 A 
ATOM     17  C   LIG    1        4.302   0.679   0.893  0.00  0.00    +0.054 A 
ATOM     18  C   LIG    1        3.810   1.886   0.372  0.00  0.00    -0.027 A 
ATOM     19  C   LIG    1        4.382   2.404  -0.794  0.00  0.00    +0.009 A 
ATOM     20  C   LIG    1        5.436   1.737  -1.423  0.00  0.00    +0.050 A 
BRANCH  15  22
ATOM     21  C   LIG    1        7.590   0.346  -2.610  0.00  0.00    +0.277 C 
ATOM     22  O   LIG    1        6.958  -0.186  -1.455  0.00  0.00    -0.491 OA
ENDBRANCH  15  22
BRANCH  16  23
ATOM     23  O   LIG    1        5.886  -1.185   0.716  0.00  0.00    -0.491 OA
ATOM     24  C   LIG    1        5.291  -1.779   1.861  0.00  0.00    +0.277 C 
ENDBRANCH  16  23
ENDBRANCH  14  18
ENDBRANCH  10  14
ENDBRANCH   1  12
BRANCH   6  25
ATOM     25  C   LIG    1       -4.748  -1.659  -1.185  0.00  0.00    +0.159 C 
BRANCH  25  26
ATOM     26  C   LIG    1       -5.831  -0.816  -0.565  0.00  0.00    +0.008 A 
ATOM     27  C   LIG    1       -6.140   0.439  -1.103  0.00  0.00    +0.131 A 
ATOM     28  F   LIG    1       -5.462   0.892  -2.168  0.00  0.00    -0.205 F 
ATOM     29  C   LIG    1       -7.138   1.240  -0.560  0.00  0.00    +0.077 A 
ATOM     30  C   LIG    1       -7.845   0.777   0.539  0.00  0.00    +0.126 A 
ATOM     31  F   LIG    1       -8.810   1.538   1.071  0.00  0.00    -0.205 F 
ATOM     32  C   LIG    1       -7.569  -0.467   1.097  0.00  0.00    +0.039 A 
ATOM     33  C   LIG    1       -6.565  -1.266   0.545  0.00  0.00    +0.011 A 
ENDBRANCH  25  26
ENDBRANCH   6  25
TORSDOF 7