REMARK  Name = BDB045876
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.567   0.066   1.007  0.00  0.00    +0.182 A 
ATOM      2  N   LIG    1        0.488  -0.746  -0.104  0.00  0.00    -0.324 N 
ATOM      3  C   LIG    1        1.492  -1.661  -0.616  0.00  0.00    +0.124 C 
ATOM      4  C   LIG    1        0.914  -2.716  -1.557  0.00  0.00    +0.022 C 
ATOM      5  C   LIG    1       -0.033  -2.070  -2.564  0.00  0.00    +0.008 C 
ATOM      6  C   LIG    1       -1.205  -1.398  -1.849  0.00  0.00    +0.056 C 
ATOM      7  C   LIG    1       -0.762  -0.598  -0.669  0.00  0.00    +0.047 A 
ATOM      8  C   LIG    1       -1.403   0.313   0.146  0.00  0.00    +0.095 A 
ATOM      9  N   LIG    1       -0.594   0.667   1.196  0.00  0.00    -0.224 NA
ENDROOT
BRANCH   8  10
ATOM     10  C   LIG    1       -2.764   0.796   0.040  0.00  0.00    +0.037 A 
ATOM     11  C   LIG    1       -3.289   1.311  -1.149  0.00  0.00    +0.133 A 
ATOM     12  F   LIG    1       -2.539   1.389  -2.258  0.00  0.00    -0.205 F 
ATOM     13  C   LIG    1       -4.596   1.789  -1.212  0.00  0.00    +0.054 A 
ATOM     14  C   LIG    1       -5.389   1.776  -0.063  0.00  0.00    +0.062 A 
ATOM     15  C   LIG    1       -4.886   1.263   1.137  0.00  0.00    +0.016 A 
ATOM     16  C   LIG    1       -3.574   0.784   1.187  0.00  0.00    +0.014 A 
BRANCH  14  17
ATOM     17  C   LIG    1       -6.771   2.292  -0.158  0.00  0.00    +0.337 C 
ATOM     18  O   LIG    1       -7.500   2.066  -1.106  0.00  0.00    -0.245 OA
BRANCH  17  19
ATOM     19  O   LIG    1       -7.117   3.066   0.892  0.00  0.00    -0.477 OA
ATOM     20  H   LIG    1       -6.381   3.299   1.489  0.00  0.00    +0.295 HD
ENDBRANCH  17  19
ENDBRANCH  14  17
ENDBRANCH   8  10
BRANCH   1  21
ATOM     21  C   LIG    1        1.683   0.297   1.911  0.00  0.00    +0.230 C 
ATOM     22  O   LIG    1        1.582   0.520   3.116  0.00  0.00    -0.283 OA
BRANCH  21  24
ATOM     23  C   LIG    1        3.479   1.261   0.455  0.00  0.00    +0.063 A 
ATOM     24  C   LIG    1        3.072   0.298   1.397  0.00  0.00    +0.054 A 
ATOM     25  C   LIG    1        4.002  -0.625   1.924  0.00  0.00    +0.067 A 
ATOM     26  C   LIG    1        5.331  -0.585   1.464  0.00  0.00    +0.013 A 
ATOM     27  C   LIG    1        5.728   0.347   0.507  0.00  0.00    +0.002 A 
ATOM     28  C   LIG    1        4.808   1.267   0.008  0.00  0.00    +0.019 A 
BRANCH  25  29
ATOM     29  C   LIG    1        3.610  -1.645   2.971  0.00  0.00    +0.418 C 
ATOM     30  F   LIG    1        4.486  -2.691   3.018  0.00  0.00    -0.166 F 
ATOM     31  F   LIG    1        2.401  -2.216   2.720  0.00  0.00    -0.166 F 
ATOM     32  F   LIG    1        3.572  -1.144   4.229  0.00  0.00    -0.166 F 
ENDBRANCH  25  29
BRANCH  23  34
ATOM     33  N   LIG    1        1.918   3.091  -0.516  0.00  0.00    -0.191 NA
ATOM     34  C   LIG    1        2.597   2.271  -0.057  0.00  0.00    +0.100 C 
ENDBRANCH  23  34
ENDBRANCH  21  24
ENDBRANCH   1  21
TORSDOF 7