REMARK  Name = BDB021882
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.517  -0.106  -0.427  0.00  0.00    -0.275 N 
ATOM      2  C   LIG    1       -1.565  -1.042  -0.351  0.00  0.00    +0.307 C 
ATOM      3  N   LIG    1       -2.798  -0.491  -0.087  0.00  0.00    -0.269 N 
ATOM      4  H   LIG    1       -2.884   0.490  -0.324  0.00  0.00    +0.156 HD
ATOM      5  O   LIG    1       -1.365  -2.243  -0.524  0.00  0.00    -0.252 OA
ENDROOT
BRANCH   1   6
ATOM      6  C   LIG    1        0.811  -0.633  -0.807  0.00  0.00    +0.080 C 
ATOM      7  C   LIG    1        1.575  -1.232   0.391  0.00  0.00    +0.038 C 
ATOM      8  C   LIG    1        2.820  -0.424   0.750  0.00  0.00    +0.086 C 
ATOM      9  N   LIG    1        3.748  -0.203  -0.369  0.00  0.00    -0.298 NA
ATOM     10  C   LIG    1        3.103  -0.191  -1.689  0.00  0.00    +0.086 C 
ATOM     11  C   LIG    1        1.675   0.343  -1.618  0.00  0.00    +0.038 C 
BRANCH   9  12
ATOM     12  C   LIG    1        4.894  -1.128  -0.362  0.00  0.00    +0.119 C 
BRANCH  12  13
ATOM     13  C   LIG    1        5.858  -0.886   0.781  0.00  0.00    -0.033 A 
ATOM     14  C   LIG    1        6.412   0.386   0.993  0.00  0.00    +0.005 A 
ATOM     15  C   LIG    1        7.316   0.603   2.033  0.00  0.00    +0.000 A 
ATOM     16  C   LIG    1        7.682  -0.450   2.870  0.00  0.00    +0.000 A 
ATOM     17  C   LIG    1        7.145  -1.720   2.666  0.00  0.00    +0.000 A 
ATOM     18  C   LIG    1        6.240  -1.938   1.626  0.00  0.00    +0.005 A 
ENDBRANCH  12  13
ENDBRANCH   9  12
ENDBRANCH   1   6
BRANCH   3  19
ATOM     19  C   LIG    1       -4.007  -1.162   0.179  0.00  0.00    +0.035 A 
ATOM     20  C   LIG    1       -5.177  -0.392   0.179  0.00  0.00    +0.035 A 
ATOM     21  C   LIG    1       -6.429  -0.971   0.449  0.00  0.00    +0.057 A 
ATOM     22  C   LIG    1       -6.496  -2.345   0.715  0.00  0.00    +0.012 A 
ATOM     23  C   LIG    1       -5.334  -3.115   0.728  0.00  0.00    +0.002 A 
ATOM     24  C   LIG    1       -4.095  -2.525   0.465  0.00  0.00    +0.023 A 
BRANCH  21  25
ATOM     25  C   LIG    1       -7.681  -0.133   0.412  0.00  0.00    +0.417 C 
ATOM     26  F   LIG    1       -7.460   1.174   0.729  0.00  0.00    -0.166 F 
ATOM     27  F   LIG    1       -8.262  -0.123  -0.819  0.00  0.00    -0.166 F 
ATOM     28  F   LIG    1       -8.642  -0.565   1.276  0.00  0.00    -0.166 F 
ENDBRANCH  21  25
ENDBRANCH   3  19
BRANCH   1  29
ATOM     29  C   LIG    1       -0.591   1.188   0.262  0.00  0.00    +0.183 C 
BRANCH  29  33
ATOM     30  C   LIG    1       -4.301   3.511  -1.784  0.00  0.00    +0.086 C 
ATOM     31  C   LIG    1       -2.860   3.283  -1.559  0.00  0.00    +0.102 A 
ATOM     32  O   LIG    1       -2.535   2.280  -0.699  0.00  0.00    -0.463 OA
ATOM     33  C   LIG    1       -1.170   2.226  -0.636  0.00  0.00    +0.122 A 
ATOM     34  C   LIG    1       -0.628   3.203  -1.444  0.00  0.00    +0.046 A 
ATOM     35  C   LIG    1       -1.718   3.881  -2.043  0.00  0.00    +0.045 A 
ENDBRANCH  29  33
ENDBRANCH   1  29
TORSDOF 7