REMARK  Name = BDB061289
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.556  -0.254   0.122  0.00  0.00    +0.131 A 
ATOM      2  C   LIG    1        0.161   1.065   0.342  0.00  0.00    +0.048 A 
ATOM      3  C   LIG    1       -1.183   1.352   0.596  0.00  0.00    +0.027 A 
ATOM      4  C   LIG    1       -2.143   0.330   0.615  0.00  0.00    +0.035 A 
ATOM      5  C   LIG    1       -1.738  -0.983   0.363  0.00  0.00    +0.027 A 
ATOM      6  C   LIG    1       -0.392  -1.273   0.111  0.00  0.00    +0.048 A 
ENDROOT
BRANCH   4   7
ATOM      7  N   LIG    1       -3.477   0.705   0.870  0.00  0.00    -0.269 N 
ATOM      8  H   LIG    1       -3.638   1.680   1.069  0.00  0.00    +0.156 HD
ATOM      9  C   LIG    1       -4.567  -0.121   1.043  0.00  0.00    +0.304 C 
ATOM     10  N   LIG    1       -5.720   0.625   1.196  0.00  0.00    -0.295 N 
ATOM     11  H   LIG    1       -5.728   1.519   0.731  0.00  0.00    +0.151 HD
ATOM     12  O   LIG    1       -4.562  -1.343   1.082  0.00  0.00    -0.252 OA
BRANCH  10  13
ATOM     13  C   LIG    1       -7.007  -0.026   1.320  0.00  0.00    +0.141 C 
BRANCH  13  14
ATOM     14  C   LIG    1       -7.710  -0.096  -0.013  0.00  0.00    -0.030 A 
ATOM     15  C   LIG    1       -7.381  -1.105  -0.933  0.00  0.00    +0.008 A 
ATOM     16  C   LIG    1       -8.011  -1.161  -2.177  0.00  0.00    +0.038 A 
ATOM     17  C   LIG    1       -8.966  -0.207  -2.503  0.00  0.00    +0.123 A 
ATOM     18  F   LIG    1       -9.571  -0.259  -3.697  0.00  0.00    -0.205 F 
ATOM     19  C   LIG    1       -9.302   0.804  -1.611  0.00  0.00    +0.038 A 
ATOM     20  C   LIG    1       -8.673   0.863  -0.366  0.00  0.00    +0.008 A 
ENDBRANCH  13  14
ENDBRANCH  10  13
ENDBRANCH   4   7
BRANCH   1  21
ATOM     21  O   LIG    1        1.851  -0.585  -0.191  0.00  0.00    -0.437 OA
BRANCH  21  26
ATOM     22  C   LIG    1        6.884   0.054  -0.542  0.00  0.00    +0.031 A 
ATOM     23  C   LIG    1        6.445   0.271   0.781  0.00  0.00    +0.051 A 
ATOM     24  C   LIG    1        5.115   0.169   1.191  0.00  0.00    +0.080 A 
ATOM     25  C   LIG    1        4.152  -0.154   0.237  0.00  0.00    +0.062 A 
ATOM     26  C   LIG    1        2.844  -0.231   0.723  0.00  0.00    +0.231 A 
ATOM     27  N   LIG    1        2.503  -0.037   2.012  0.00  0.00    -0.201 NA
ATOM     28  C   LIG    1        3.515   0.263   2.827  0.00  0.00    +0.225 A 
ATOM     29  C   LIG    1        4.540  -0.365  -1.101  0.00  0.00    +0.017 A 
ATOM     30  N   LIG    1        4.804   0.381   2.478  0.00  0.00    -0.235 NA
ATOM     31  C   LIG    1        5.882  -0.255  -1.473  0.00  0.00    +0.024 A 
BRANCH  22  33
ATOM     32  C   LIG    1        9.251   0.279   0.126  0.00  0.00    +0.129 C 
ATOM     33  N   LIG    1        8.227   0.183  -0.915  0.00  0.00    -0.336 N 
ATOM     34  C   LIG    1        8.670  -0.402  -2.180  0.00  0.00    +0.129 C 
ENDBRANCH  22  33
ENDBRANCH  21  26
ENDBRANCH   1  21
TORSDOF 6