REMARK  Name = BDB012198
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        1.360   0.084  -0.406  0.00  0.00    -0.276 OA
ATOM      2  C   LIG    1        0.435  -0.256   0.336  0.00  0.00    +0.216 C 
ATOM      3  N   LIG    1       -0.881   0.104   0.074  0.00  0.00    -0.301 N 
ATOM      4  C   LIG    1       -2.035  -0.280   0.885  0.00  0.00    +0.110 C 
ATOM      5  C   LIG    1       -3.038   0.860   1.035  0.00  0.00    +0.044 C 
ATOM      6  C   LIG    1       -3.365   1.560  -0.296  0.00  0.00    +0.097 C 
ATOM      7  C   LIG    1       -2.620   0.963  -1.493  0.00  0.00    +0.044 C 
ATOM      8  C   LIG    1       -1.138   0.829  -1.170  0.00  0.00    +0.110 C 
ENDROOT
BRANCH   6   9
ATOM      9  N   LIG    1       -4.790   1.702  -0.537  0.00  0.00    -0.271 N 
ATOM     10  C   LIG    1       -5.726   0.705  -0.715  0.00  0.00    +0.091 A 
ATOM     11  C   LIG    1       -6.929   1.350  -0.938  0.00  0.00    +0.160 A 
ATOM     12  C   LIG    1       -8.102   0.661  -1.157  0.00  0.00    +0.086 A 
ATOM     13  C   LIG    1       -8.025  -0.728  -1.145  0.00  0.00    +0.127 A 
ATOM     14  C   LIG    1       -6.811  -1.396  -0.921  0.00  0.00    +0.040 A 
ATOM     15  F   LIG    1       -9.135  -1.449  -1.352  0.00  0.00    -0.205 F 
ATOM     16  O   LIG    1       -6.814   2.729  -0.916  0.00  0.00    -0.407 OA
ATOM     17  C   LIG    1       -5.634  -0.672  -0.701  0.00  0.00    +0.032 A 
ATOM     18  C   LIG    1       -5.448   2.917  -0.667  0.00  0.00    +0.422 A 
ATOM     19  O   LIG    1       -4.938   4.025  -0.581  0.00  0.00    -0.223 OA
ENDBRANCH   6   9
BRANCH   2  20
ATOM     20  C   LIG    1        0.702  -1.074   1.593  0.00  0.00    +0.096 C 
BRANCH  20  21
ATOM     21  C   LIG    1        2.163  -1.520   1.715  0.00  0.00    +0.017 C 
BRANCH  21  22
ATOM     22  C   LIG    1        3.120  -0.360   2.017  0.00  0.00    +0.075 C 
BRANCH  22  23
ATOM     23  C   LIG    1        4.319  -0.376   1.096  0.00  0.00    +0.110 A 
ATOM     24  N   LIG    1        4.077  -0.054  -0.212  0.00  0.00    -0.310 N 
ATOM     25  H   LIG    1        3.124   0.143  -0.522  0.00  0.00    +0.170 HD
ATOM     26  C   LIG    1        5.049  -0.044  -1.179  0.00  0.00    +0.259 A 
ATOM     27  O   LIG    1        4.817   0.213  -2.354  0.00  0.00    -0.267 OA
ATOM     28  C   LIG    1        6.406  -0.374  -0.710  0.00  0.00    +0.065 A 
ATOM     29  C   LIG    1        6.564  -0.683   0.644  0.00  0.00    +0.078 A 
ATOM     30  C   LIG    1        7.841  -1.002   1.111  0.00  0.00    +0.028 A 
ATOM     31  C   LIG    1        8.936  -1.011   0.241  0.00  0.00    +0.002 A 
ATOM     32  C   LIG    1        8.762  -0.700  -1.109  0.00  0.00    +0.001 A 
ATOM     33  C   LIG    1        7.493  -0.380  -1.590  0.00  0.00    +0.015 A 
ATOM     34  N   LIG    1        5.489  -0.687   1.551  0.00  0.00    -0.234 NA
ENDBRANCH  22  23
ENDBRANCH  21  22
ENDBRANCH  20  21
ENDBRANCH   2  20
TORSDOF 5