REMARK  Name = BDB039984
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.306   0.349   0.707  0.00  0.00    -0.039 A 
ATOM      2  C   LIG    1       -0.020  -0.120   0.339  0.00  0.00    +0.027 A 
ATOM      3  C   LIG    1        1.137   0.674   0.376  0.00  0.00    +0.037 A 
ATOM      4  C   LIG    1        0.997   2.002   0.793  0.00  0.00    +0.023 A 
ATOM      5  C   LIG    1       -0.251   2.510   1.149  0.00  0.00    +0.002 A 
ATOM      6  C   LIG    1       -1.380   1.694   1.104  0.00  0.00    +0.004 A 
ENDROOT
BRANCH   3   7
ATOM      7  N   LIG    1        2.411   0.161   0.002  0.00  0.00    -0.263 N 
ATOM      8  C   LIG    1        2.698  -1.145  -0.410  0.00  0.00    +0.251 C 
ATOM      9  O   LIG    1        1.986  -2.124  -0.540  0.00  0.00    -0.270 OA
ATOM     10  C   LIG    1        4.138  -1.196  -0.697  0.00  0.00    +0.042 A 
ATOM     11  C   LIG    1        4.895  -2.266  -1.136  0.00  0.00    +0.013 A 
ATOM     12  C   LIG    1        6.259  -2.051  -1.335  0.00  0.00    +0.001 A 
ATOM     13  C   LIG    1        6.827  -0.786  -1.093  0.00  0.00    +0.013 A 
ATOM     14  C   LIG    1        6.043   0.294  -0.646  0.00  0.00    +0.060 A 
ATOM     15  C   LIG    1        4.684   0.060  -0.454  0.00  0.00    -0.006 A 
ATOM     16  C   LIG    1        3.609   0.990   0.007  0.00  0.00    +0.150 C 
BRANCH  14  17
ATOM     17  C   LIG    1        6.639   1.651  -0.384  0.00  0.00    +0.418 C 
ATOM     18  F   LIG    1        6.448   2.057   0.902  0.00  0.00    -0.166 F 
ATOM     19  F   LIG    1        7.980   1.715  -0.604  0.00  0.00    -0.166 F 
ATOM     20  F   LIG    1        6.082   2.617  -1.163  0.00  0.00    -0.166 F 
ENDBRANCH  14  17
ENDBRANCH   3   7
BRANCH   1  21
ATOM     21  C   LIG    1       -2.611  -0.616   0.646  0.00  0.00    +0.008 C 
ATOM     22  C   LIG    1       -3.680  -0.460   1.790  0.00  0.00    +0.049 C 
ATOM     23  C   LIG    1       -2.922  -1.540   2.586  0.00  0.00    +0.168 C 
ATOM     24  F   LIG    1       -3.694  -2.397   3.292  0.00  0.00    -0.245 F 
ATOM     25  C   LIG    1       -2.403  -2.066   1.233  0.00  0.00    +0.049 C 
BRANCH  21  26
ATOM     26  C   LIG    1       -3.195  -0.643  -0.782  0.00  0.00    +0.088 C 
BRANCH  26  29
ATOM     27  C   LIG    1       -6.239  -0.638  -1.454  0.00  0.00    +0.151 C 
ATOM     28  N   LIG    1       -5.381   0.513  -1.385  0.00  0.00    -0.320 N 
ATOM     29  C   LIG    1       -4.039   0.548  -1.100  0.00  0.00    +0.134 A 
ATOM     30  N   LIG    1       -3.639   1.803  -1.166  0.00  0.00    -0.135 NA
ATOM     31  N   LIG    1       -4.722   2.591  -1.468  0.00  0.00    -0.138 NA
ATOM     32  C   LIG    1       -5.760   1.802  -1.602  0.00  0.00    +0.224 A 
ENDBRANCH  26  29
ENDBRANCH  21  26
ENDBRANCH   1  21
TORSDOF 5