REMARK  Name = BDB061706
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.320  -2.713  -0.127  0.00  0.00    +0.125 A 
ATOM      2  N   LIG    1       -2.090  -3.953   0.349  0.00  0.00    -0.239 NA
ATOM      3  C   LIG    1       -0.909  -4.187   0.959  0.00  0.00    +0.123 A 
ATOM      4  C   LIG    1        0.089  -3.230   1.113  0.00  0.00    +0.019 A 
ATOM      5  C   LIG    1       -0.151  -1.954   0.593  0.00  0.00    +0.076 A 
ATOM      6  N   LIG    1        0.760  -0.967   0.684  0.00  0.00    -0.249 NA
ATOM      7  C   LIG    1        1.952  -1.219   1.303  0.00  0.00    +0.073 A 
ATOM      8  C   LIG    1        2.255  -2.464   1.847  0.00  0.00    +0.027 A 
ATOM      9  C   LIG    1        1.312  -3.481   1.749  0.00  0.00    +0.013 A 
ATOM     10  C   LIG    1       -1.362  -1.714  -0.034  0.00  0.00    +0.072 A 
ENDROOT
BRANCH   1  11
ATOM     11  N   LIG    1       -3.553  -2.538  -0.749  0.00  0.00    -0.297 N 
ATOM     12  H   LIG    1       -4.029  -3.436  -0.806  0.00  0.00    +0.154 HD
BRANCH  11  18
ATOM     13  C   LIG    1       -5.140   0.842  -0.557  0.00  0.00    +0.046 A 
ATOM     14  N   LIG    1       -6.171   0.715  -1.429  0.00  0.00    -0.257 NA
ATOM     15  C   LIG    1       -6.321  -0.482  -2.036  0.00  0.00    +0.151 A 
ATOM     16  C   LIG    1       -5.486  -1.561  -1.813  0.00  0.00    +0.162 A 
ATOM     17  F   LIG    1       -5.705  -2.719  -2.456  0.00  0.00    -0.202 F 
ATOM     18  C   LIG    1       -4.420  -1.442  -0.916  0.00  0.00    +0.071 A 
ATOM     19  C   LIG    1       -4.254  -0.207  -0.285  0.00  0.00    +0.049 A 
BRANCH  13  21
ATOM     20  C   LIG    1       -4.706   3.290  -0.881  0.00  0.00    +0.014 C 
ATOM     21  C   LIG    1       -4.970   2.180   0.138  0.00  0.00    +0.032 C 
ATOM     22  C   LIG    1       -6.194   2.506   0.994  0.00  0.00    +0.014 C 
ENDBRANCH  13  21
ENDBRANCH  11  18
ENDBRANCH   1  11
BRANCH   7  23
ATOM     23  C   LIG    1        2.939  -0.041   1.359  0.00  0.00    +0.108 C 
ATOM     24  C   LIG    1        3.196   0.316   2.831  0.00  0.00    +0.048 C 
BRANCH  23  25
ATOM     25  C   LIG    1        4.260  -0.357   0.579  0.00  0.00    +0.029 C 
ATOM     26  C   LIG    1        5.327   0.756   0.635  0.00  0.00    +0.022 C 
ATOM     27  C   LIG    1        5.061   1.918  -0.323  0.00  0.00    +0.084 C 
ATOM     28  N   LIG    1        4.929   1.436  -1.704  0.00  0.00    -0.305 NA
ATOM     29  C   LIG    1        4.726   2.561  -2.616  0.00  0.00    +0.104 C 
ATOM     30  C   LIG    1        3.822   0.479  -1.820  0.00  0.00    +0.084 C 
ATOM     31  C   LIG    1        4.041  -0.727  -0.906  0.00  0.00    +0.022 C 
ENDBRANCH  23  25
BRANCH  23  32
ATOM     32  O   LIG    1        2.299   1.112   0.792  0.00  0.00    -0.382 OA
ATOM     33  H   LIG    1        1.412   0.800   0.514  0.00  0.00    +0.211 HD
ENDBRANCH  23  32
ENDBRANCH   7  23
TORSDOF 6