REMARK  Name = BDB061707
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.316  -1.377  -0.244  0.00  0.00    +0.073 A 
ATOM      2  N   LIG    1        0.362  -0.979   0.652  0.00  0.00    -0.249 NA
ATOM      3  C   LIG    1       -0.926  -0.924   0.263  0.00  0.00    +0.076 A 
ATOM      4  C   LIG    1       -1.321  -1.269  -1.032  0.00  0.00    +0.019 A 
ATOM      5  C   LIG    1       -2.674  -1.179  -1.341  0.00  0.00    +0.123 A 
ATOM      6  N   LIG    1       -3.624  -0.781  -0.467  0.00  0.00    -0.239 NA
ATOM      7  C   LIG    1       -3.237  -0.462   0.783  0.00  0.00    +0.125 A 
ATOM      8  C   LIG    1       -0.342  -1.681  -1.945  0.00  0.00    +0.013 A 
ATOM      9  C   LIG    1       -1.898  -0.518   1.161  0.00  0.00    +0.072 A 
ATOM     10  C   LIG    1        0.990  -1.737  -1.547  0.00  0.00    +0.027 A 
ENDROOT
BRANCH   1  11
ATOM     11  C   LIG    1        2.752  -1.402   0.304  0.00  0.00    +0.108 C 
ATOM     12  C   LIG    1        3.625  -2.498  -0.319  0.00  0.00    +0.048 C 
BRANCH  11  17
ATOM     13  C   LIG    1        6.354   2.622  -1.070  0.00  0.00    +0.104 C 
ATOM     14  N   LIG    1        6.009   1.307  -0.538  0.00  0.00    -0.305 NA
ATOM     15  C   LIG    1        5.214   0.515  -1.480  0.00  0.00    +0.084 C 
ATOM     16  C   LIG    1        3.713   0.525  -1.188  0.00  0.00    +0.022 C 
ATOM     17  C   LIG    1        3.381   0.026   0.236  0.00  0.00    +0.029 C 
ATOM     18  C   LIG    1        4.601   0.187   1.173  0.00  0.00    +0.022 C 
ATOM     19  C   LIG    1        5.410   1.426   0.798  0.00  0.00    +0.084 C 
ENDBRANCH  11  17
BRANCH  11  20
ATOM     20  O   LIG    1        2.643  -1.749   1.704  0.00  0.00    -0.382 OA
ATOM     21  H   LIG    1        1.724  -1.513   1.953  0.00  0.00    +0.211 HD
ENDBRANCH  11  20
ENDBRANCH   1  11
BRANCH   7  22
ATOM     22  N   LIG    1       -4.177  -0.024   1.744  0.00  0.00    -0.297 N 
ATOM     23  H   LIG    1       -4.011  -0.482   2.638  0.00  0.00    +0.154 HD
BRANCH  22  24
ATOM     24  C   LIG    1       -5.552   0.255   1.565  0.00  0.00    +0.072 A 
ATOM     25  C   LIG    1       -6.420   0.146   2.654  0.00  0.00    +0.162 A 
ATOM     26  F   LIG    1       -5.959  -0.276   3.842  0.00  0.00    -0.202 F 
ATOM     27  C   LIG    1       -7.756   0.461   2.500  0.00  0.00    +0.151 A 
ATOM     28  N   LIG    1       -8.292   0.896   1.336  0.00  0.00    -0.248 NA
ATOM     29  C   LIG    1       -7.447   1.037   0.272  0.00  0.00    +0.145 A 
ATOM     30  C   LIG    1       -6.084   0.733   0.365  0.00  0.00    +0.058 A 
BRANCH  29  31
ATOM     31  C   LIG    1       -7.991   1.526  -1.065  0.00  0.00    +0.434 C 
ATOM     32  F   LIG    1       -7.984   0.552  -2.022  0.00  0.00    -0.164 F 
ATOM     33  F   LIG    1       -7.254   2.553  -1.586  0.00  0.00    -0.164 F 
ATOM     34  F   LIG    1       -9.273   1.987  -1.014  0.00  0.00    -0.164 F 
ENDBRANCH  29  31
ENDBRANCH  22  24
ENDBRANCH   7  22
TORSDOF 6