REMARK  Name = BDB039633
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        2.758  -0.738   0.269  0.00  0.00    -0.324 N 
ATOM      2  C   LIG    1        2.307  -2.134   0.392  0.00  0.00    +0.120 C 
ATOM      3  C   LIG    1        1.077  -2.386  -0.511  0.00  0.00    +0.103 C 
ATOM      4  N   LIG    1       -0.097  -1.546  -0.189  0.00  0.00    -0.295 NA
ATOM      5  C   LIG    1        0.317  -0.230   0.346  0.00  0.00    +0.103 C 
ATOM      6  C   LIG    1        1.726   0.257  -0.071  0.00  0.00    +0.120 C 
ENDROOT
BRANCH   1  11
ATOM      7  C   LIG    1        6.721   0.408   0.889  0.00  0.00    +0.129 A 
ATOM      8  N   LIG    1        5.927   1.251   0.186  0.00  0.00    -0.213 NA
ATOM      9  C   LIG    1        4.648   0.843   0.005  0.00  0.00    +0.235 A 
ATOM     10  F   LIG    1        3.891   1.681  -0.726  0.00  0.00    -0.182 F 
ATOM     11  C   LIG    1        4.079  -0.363   0.475  0.00  0.00    +0.085 A 
ATOM     12  C   LIG    1        4.965  -1.181   1.191  0.00  0.00    +0.030 A 
ATOM     13  C   LIG    1        6.292  -0.804   1.403  0.00  0.00    +0.035 A 
BRANCH   7  17
ATOM     14  C   LIG    1        9.762   2.630   0.559  0.00  0.00    +0.128 C 
ATOM     15  N   LIG    1        8.430   2.090   0.570  0.00  0.00    -0.313 N 
ATOM     16  H   LIG    1        7.692   2.531   0.026  0.00  0.00    +0.149 HD
ATOM     17  C   LIG    1        8.139   0.848   1.094  0.00  0.00    +0.262 C 
ATOM     18  O   LIG    1        8.950   0.137   1.675  0.00  0.00    -0.269 OA
ENDBRANCH   7  17
ENDBRANCH   1  11
BRANCH   4  19
ATOM     19  C   LIG    1       -0.982  -1.441  -1.356  0.00  0.00    +0.119 C 
BRANCH  19  20
ATOM     20  C   LIG    1       -2.369  -0.942  -1.003  0.00  0.00    -0.029 A 
ATOM     21  C   LIG    1       -2.937   0.142  -1.689  0.00  0.00    +0.031 A 
ATOM     22  C   LIG    1       -4.223   0.580  -1.361  0.00  0.00    +0.057 A 
ATOM     23  N   LIG    1       -4.781   1.673  -2.053  0.00  0.00    -0.307 N 
ATOM     24  H   LIG    1       -4.245   2.131  -2.780  0.00  0.00    +0.170 HD
ATOM     25  C   LIG    1       -6.035   2.203  -1.829  0.00  0.00    +0.333 A 
ATOM     26  N   LIG    1       -6.750   1.548  -0.820  0.00  0.00    -0.251 N 
ATOM     27  C   LIG    1       -6.291   0.471  -0.088  0.00  0.00    +0.154 A 
ATOM     28  N   LIG    1       -7.190   0.072   0.789  0.00  0.00    -0.232 NA
ATOM     29  C   LIG    1       -8.269   0.909   0.631  0.00  0.00    +0.057 A 
ATOM     30  C   LIG    1       -9.477   0.743   1.469  0.00  0.00    +0.067 C 
ATOM     31  C   LIG    1       -8.017   1.830  -0.360  0.00  0.00    +0.120 A 
ATOM     32  O   LIG    1       -6.522   3.151  -2.427  0.00  0.00    -0.246 OA
ATOM     33  C   LIG    1       -4.965  -0.055  -0.355  0.00  0.00    +0.076 A 
ATOM     34  C   LIG    1       -4.402  -1.135   0.318  0.00  0.00    +0.136 A 
ATOM     35  F   LIG    1       -5.072  -1.778   1.285  0.00  0.00    -0.205 F 
ATOM     36  C   LIG    1       -3.120  -1.579  -0.001  0.00  0.00    +0.044 A 
ENDBRANCH  19  20
ENDBRANCH   4  19
TORSDOF 4