REMARK  Name = BDB032226
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        2.293  -0.394  -0.287  0.00  0.00    -0.339 N 
ATOM      2  H   LIG    1        1.839   0.369   0.209  0.00  0.00    +0.146 HD
ENDROOT
BRANCH   1   6
ATOM      3  C   LIG    1        5.964   2.726  -1.083  0.00  0.00    +0.124 A 
ATOM      4  C   LIG    1        5.540   1.406  -0.813  0.00  0.00    +0.023 A 
ATOM      5  C   LIG    1        4.149   1.159  -0.702  0.00  0.00    +0.008 A 
ATOM      6  C   LIG    1        3.679  -0.157  -0.390  0.00  0.00    +0.035 A 
ATOM      7  C   LIG    1        4.616  -1.199  -0.298  0.00  0.00    +0.023 A 
ATOM      8  C   LIG    1        5.982  -0.959  -0.425  0.00  0.00    +0.003 A 
ATOM      9  C   LIG    1        3.285   2.249  -0.926  0.00  0.00    +0.030 A 
ATOM     10  C   LIG    1        3.810   3.498  -1.210  0.00  0.00    +0.113 A 
ATOM     11  C   LIG    1        6.439   0.330  -0.669  0.00  0.00    +0.012 A 
ATOM     12  N   LIG    1        5.126   3.759  -1.282  0.00  0.00    -0.240 NA
BRANCH   3  13
ATOM     13  N   LIG    1        7.320   3.064  -1.174  0.00  0.00    -0.343 N 
ATOM     14  H   LIG    1        7.801   2.821  -0.316  0.00  0.00    +0.144 HD
ATOM     15  H   LIG    1        7.343   4.068  -1.340  0.00  0.00    +0.144 HD
ENDBRANCH   3  13
ENDBRANCH   1   6
BRANCH   1  16
ATOM     16  C   LIG    1        1.790  -1.685   0.176  0.00  0.00    +0.139 C 
BRANCH  16  17
ATOM     17  C   LIG    1        0.283  -1.661   0.222  0.00  0.00    +0.005 A 
ATOM     18  C   LIG    1       -0.399  -2.113   1.353  0.00  0.00    +0.128 A 
ATOM     19  F   LIG    1        0.288  -2.554   2.417  0.00  0.00    -0.205 F 
ATOM     20  C   LIG    1       -1.791  -2.123   1.411  0.00  0.00    +0.043 A 
ATOM     21  C   LIG    1       -2.545  -1.676   0.318  0.00  0.00    -0.031 A 
ATOM     22  C   LIG    1       -1.869  -1.240  -0.832  0.00  0.00    +0.005 A 
ATOM     23  C   LIG    1       -0.472  -1.235  -0.881  0.00  0.00    +0.008 A 
BRANCH  21  24
ATOM     24  C   LIG    1       -4.059  -1.701   0.364  0.00  0.00    +0.119 C 
BRANCH  24  25
ATOM     25  N   LIG    1       -4.668  -0.410   0.014  0.00  0.00    -0.294 NA
ATOM     26  C   LIG    1       -4.465   0.628   1.049  0.00  0.00    +0.113 C 
ATOM     27  C   LIG    1       -5.688   0.839   1.957  0.00  0.00    +0.175 C 
ATOM     28  O   LIG    1       -6.871   1.212   1.238  0.00  0.00    -0.377 OA
ATOM     29  C   LIG    1       -6.885   0.730  -0.113  0.00  0.00    +0.175 C 
ATOM     30  C   LIG    1       -6.109  -0.584  -0.275  0.00  0.00    +0.113 C 
ENDBRANCH  24  25
ENDBRANCH  21  24
ENDBRANCH  16  17
ENDBRANCH   1  16
TORSDOF 6