REMARK  Name = BDB013138
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.003  -0.286   0.521  0.00  0.00    +0.203 A 
ATOM      2  N   LIG    1        0.617   0.703   1.303  0.00  0.00    -0.253 N 
ATOM      3  C   LIG    1        1.979   0.854   1.398  0.00  0.00    +0.173 A 
ATOM      4  N   LIG    1        2.252   1.843   2.222  0.00  0.00    -0.129 NA
ATOM      5  N   LIG    1        1.056   2.368   2.660  0.00  0.00    -0.137 NA
ATOM      6  C   LIG    1        2.782  -0.030   0.635  0.00  0.00    +0.047 A 
ATOM      7  C   LIG    1        2.126  -0.960  -0.091  0.00  0.00    +0.126 A 
ATOM      8  C   LIG    1        0.088   1.684   2.091  0.00  0.00    +0.232 A 
ATOM      9  N   LIG    1        0.755  -1.104  -0.168  0.00  0.00    -0.223 NA
ENDROOT
BRANCH   6  10
ATOM     10  C   LIG    1        4.256  -0.006   0.619  0.00  0.00    +0.017 A 
ATOM     11  C   LIG    1        5.020   0.472  -0.461  0.00  0.00    +0.066 A 
ATOM     12  C   LIG    1        6.421   0.425  -0.364  0.00  0.00    +0.032 A 
ATOM     13  C   LIG    1        7.002  -0.076   0.787  0.00  0.00    +0.111 A 
ATOM     14  N   LIG    1        6.294  -0.530   1.839  0.00  0.00    -0.263 NA
ATOM     15  C   LIG    1        4.946  -0.474   1.737  0.00  0.00    +0.120 A 
BRANCH  11  16
ATOM     16  C   LIG    1        4.383   1.013  -1.714  0.00  0.00    +0.418 C 
ATOM     17  F   LIG    1        3.847   0.026  -2.484  0.00  0.00    -0.166 F 
ATOM     18  F   LIG    1        5.263   1.669  -2.524  0.00  0.00    -0.166 F 
ATOM     19  F   LIG    1        3.377   1.898  -1.478  0.00  0.00    -0.166 F 
ENDBRANCH  11  16
ENDBRANCH   6  10
BRANCH   1  20
ATOM     20  N   LIG    1       -1.373  -0.364   0.499  0.00  0.00    -0.310 N 
ATOM     21  H   LIG    1       -1.881   0.011   1.293  0.00  0.00    +0.149 HD
BRANCH  20  22
ATOM     22  C   LIG    1       -2.050  -1.491  -0.121  0.00  0.00    +0.143 C 
BRANCH  22  25
ATOM     23  F   LIG    1       -4.050  -2.660   1.517  0.00  0.00    -0.205 F 
ATOM     24  C   LIG    1       -4.456  -1.782   0.588  0.00  0.00    +0.129 A 
ATOM     25  C   LIG    1       -3.513  -1.179  -0.254  0.00  0.00    +0.012 A 
ATOM     26  C   LIG    1       -3.996  -0.265  -1.186  0.00  0.00    +0.005 A 
ATOM     27  C   LIG    1       -3.265   0.587  -2.156  0.00  0.00    +0.080 C 
ATOM     28  C   LIG    1       -4.446   1.065  -3.001  0.00  0.00    +0.234 C 
ATOM     29  O   LIG    1       -5.658   0.963  -2.219  0.00  0.00    -0.491 OA
ATOM     30  C   LIG    1       -5.351   0.029  -1.265  0.00  0.00    +0.124 A 
ATOM     31  C   LIG    1       -6.282  -0.558  -0.432  0.00  0.00    +0.049 A 
ATOM     32  C   LIG    1       -5.823  -1.482   0.506  0.00  0.00    +0.042 A 
ENDBRANCH  22  25
ENDBRANCH  20  22
ENDBRANCH   1  20
TORSDOF 5