REMARK  Name = BDB040732
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.408   0.366  -2.160  0.00  0.00    +0.111 C 
ATOM      2  C   LIG    1        0.605   1.390  -1.614  0.00  0.00    +0.129 C 
ATOM      3  N   LIG    1        1.479   0.281  -1.345  0.00  0.00    -0.326 N 
ATOM      4  C   LIG    1        0.813  -0.562  -2.304  0.00  0.00    +0.129 C 
ENDROOT
BRANCH   3   5
ATOM      5  C   LIG    1        2.860   0.332  -1.075  0.00  0.00    +0.035 A 
ATOM      6  C   LIG    1        3.683  -0.773  -1.318  0.00  0.00    +0.062 A 
ATOM      7  C   LIG    1        5.049  -0.720  -1.038  0.00  0.00    +0.132 A 
ATOM      8  F   LIG    1        5.795  -1.806  -1.283  0.00  0.00    -0.205 F 
ATOM      9  C   LIG    1        5.642   0.422  -0.502  0.00  0.00    +0.035 A 
ATOM     10  C   LIG    1        4.812   1.513  -0.247  0.00  0.00    +0.132 A 
ATOM     11  F   LIG    1        5.327   2.630   0.287  0.00  0.00    -0.205 F 
ATOM     12  C   LIG    1        3.445   1.476  -0.523  0.00  0.00    +0.062 A 
BRANCH   9  13
ATOM     13  C   LIG    1        7.126   0.460  -0.212  0.00  0.00    +0.111 C 
ATOM     14  C   LIG    1        7.832   1.605  -0.937  0.00  0.00    +0.227 C 
ATOM     15  O   LIG    1        7.504   2.006  -2.052  0.00  0.00    -0.275 OA
ATOM     16  N   LIG    1        8.934   2.138  -0.310  0.00  0.00    -0.256 N 
ATOM     17  H   LIG    1        9.407   2.878  -0.810  0.00  0.00    +0.157 HD
ATOM     18  C   LIG    1        9.547   1.702   0.837  0.00  0.00    +0.219 C 
ATOM     19  O   LIG    1       10.609   2.189   1.214  0.00  0.00    -0.275 OA
ATOM     20  C   LIG    1        8.891   0.547   1.552  0.00  0.00    +0.097 C 
ATOM     21  C   LIG    1        7.393   0.525   1.296  0.00  0.00    +0.027 C 
ENDBRANCH   9  13
ENDBRANCH   3   5
BRANCH   1  23
ATOM     22  C   LIG    1       -2.383  -0.998  -1.495  0.00  0.00    +0.401 C 
ATOM     23  N   LIG    1       -1.418  -0.090  -1.182  0.00  0.00    -0.275 N 
ATOM     24  H   LIG    1       -1.328   0.109  -0.195  0.00  0.00    +0.152 HD
ATOM     25  O   LIG    1       -2.578  -1.464  -2.608  0.00  0.00    -0.226 OA
BRANCH  22  26
ATOM     26  O   LIG    1       -3.081  -1.313  -0.377  0.00  0.00    -0.447 OA
BRANCH  26  29
ATOM     27  C   LIG    1       -6.091  -1.572   0.166  0.00  0.00    +0.126 C 
ATOM     28  C   LIG    1       -5.009  -2.544   0.678  0.00  0.00    +0.076 C 
ATOM     29  C   LIG    1       -4.171  -2.239  -0.580  0.00  0.00    +0.183 C 
ATOM     30  C   LIG    1       -5.450  -1.675  -1.233  0.00  0.00    +0.076 C 
BRANCH  27  31
ATOM     31  O   LIG    1       -6.077  -0.245   0.742  0.00  0.00    -0.371 OA
BRANCH  31  33
ATOM     32  C   LIG    1       -8.406   0.235   1.233  0.00  0.00    +0.041 C 
ATOM     33  C   LIG    1       -6.989   0.089   1.797  0.00  0.00    +0.062 C 
ATOM     34  C   LIG    1       -6.520   1.449   2.330  0.00  0.00    +0.041 C 
ATOM     35  C   LIG    1       -6.950  -0.933   2.937  0.00  0.00    +0.041 C 
ENDBRANCH  31  33
ENDBRANCH  27  31
ENDBRANCH  26  29
ENDBRANCH  22  26
ENDBRANCH   1  23
TORSDOF 7