REMARK  Name = BDB032526
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.895  -2.609  -0.492  0.00  0.00    +0.006 A 
ATOM      2  C   LIG    1       -0.641  -1.526  -1.300  0.00  0.00    +0.121 A 
ATOM      3  N   LIG    1        0.518  -0.838  -1.292  0.00  0.00    -0.222 NA
ATOM      4  C   LIG    1        1.476  -1.228  -0.435  0.00  0.00    +0.218 A 
ATOM      5  N   LIG    1        1.313  -2.275   0.391  0.00  0.00    -0.222 NA
ATOM      6  C   LIG    1        0.142  -2.941   0.346  0.00  0.00    +0.121 A 
ENDROOT
BRANCH   4   7
ATOM      7  N   LIG    1        2.684  -0.536  -0.416  0.00  0.00    -0.291 N 
ATOM      8  C   LIG    1        3.420  -0.684   0.852  0.00  0.00    +0.184 C 
ATOM      9  C   LIG    1        4.601   0.225   0.964  0.00  0.00    +0.151 A 
ATOM     10  N   LIG    1        5.508   0.306   1.912  0.00  0.00    -0.132 NA
ATOM     11  N   LIG    1        6.384   1.313   1.569  0.00  0.00    -0.125 NA
ATOM     12  C   LIG    1        5.995   1.831   0.416  0.00  0.00    +0.238 A 
ATOM     13  N   LIG    1        4.863   1.176   0.018  0.00  0.00    -0.305 N 
ATOM     14  C   LIG    1        4.062   1.359  -1.173  0.00  0.00    +0.144 C 
ATOM     15  C   LIG    1        2.639   0.817  -0.982  0.00  0.00    +0.130 C 
BRANCH  12  16
ATOM     16  C   LIG    1        6.620   2.925  -0.363  0.00  0.00    +0.452 C 
ATOM     17  F   LIG    1        7.815   3.333   0.129  0.00  0.00    -0.163 F 
ATOM     18  F   LIG    1        6.831   2.556  -1.656  0.00  0.00    -0.163 F 
ATOM     19  F   LIG    1        5.815   4.021  -0.414  0.00  0.00    -0.163 F 
ENDBRANCH  12  16
ENDBRANCH   4   7
BRANCH   1  20
ATOM     20  C   LIG    1       -2.202  -3.333  -0.493  0.00  0.00    +0.140 C 
BRANCH  20  21
ATOM     21  N   LIG    1       -3.134  -2.763   0.482  0.00  0.00    -0.339 N 
ATOM     22  H   LIG    1       -2.709  -2.635   1.395  0.00  0.00    +0.146 HD
BRANCH  21  26
ATOM     23  C   LIG    1       -3.958   2.095   0.531  0.00  0.00    +0.124 A 
ATOM     24  C   LIG    1       -4.265   0.806   0.026  0.00  0.00    +0.023 A 
ATOM     25  C   LIG    1       -3.549  -0.304   0.545  0.00  0.00    +0.008 A 
ATOM     26  C   LIG    1       -3.836  -1.613   0.051  0.00  0.00    +0.035 A 
ATOM     27  C   LIG    1       -4.804  -1.780  -0.953  0.00  0.00    +0.023 A 
ATOM     28  C   LIG    1       -5.507  -0.695  -1.457  0.00  0.00    +0.003 A 
ATOM     29  C   LIG    1       -2.572  -0.041   1.524  0.00  0.00    +0.030 A 
ATOM     30  C   LIG    1       -2.349   1.258   1.940  0.00  0.00    +0.113 A 
ATOM     31  C   LIG    1       -5.242   0.582  -0.972  0.00  0.00    +0.012 A 
ATOM     32  N   LIG    1       -3.020   2.320   1.466  0.00  0.00    -0.240 NA
BRANCH  23  33
ATOM     33  N   LIG    1       -4.628   3.240   0.071  0.00  0.00    -0.343 N 
ATOM     34  H   LIG    1       -5.621   3.144   0.258  0.00  0.00    +0.144 HD
ATOM     35  H   LIG    1       -4.489   3.334  -0.929  0.00  0.00    +0.144 HD
ENDBRANCH  23  33
ENDBRANCH  21  26
ENDBRANCH  20  21
ENDBRANCH   1  20
TORSDOF 6