REMARK  Name = BDB021946
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.144   1.703  -0.496  0.00  0.00    -0.275 N 
ATOM      2  C   LIG    1        0.656   1.039  -1.614  0.00  0.00    +0.307 C 
ATOM      3  N   LIG    1        0.815  -0.316  -1.453  0.00  0.00    -0.269 N 
ATOM      4  H   LIG    1        1.025  -0.601  -0.513  0.00  0.00    +0.156 HD
ATOM      5  O   LIG    1        0.929   1.639  -2.651  0.00  0.00    -0.252 OA
ENDROOT
BRANCH   1  11
ATOM      6  C   LIG    1       -2.608  -3.564   2.086  0.00  0.00    +0.109 C 
ATOM      7  C   LIG    1       -1.931  -2.419   2.795  0.00  0.00    +0.212 C 
ATOM      8  N   LIG    1       -1.483  -1.360   2.012  0.00  0.00    -0.302 N 
ATOM      9  C   LIG    1       -1.696  -1.259   0.569  0.00  0.00    +0.109 C 
ATOM     10  C   LIG    1       -1.810   0.183   0.085  0.00  0.00    +0.041 C 
ATOM     11  C   LIG    1       -0.672   1.095   0.589  0.00  0.00    +0.081 C 
ATOM     12  C   LIG    1        0.157   0.477   1.721  0.00  0.00    +0.041 C 
ATOM     13  C   LIG    1       -0.749  -0.286   2.677  0.00  0.00    +0.109 C 
ATOM     14  O   LIG    1       -1.793  -2.441   4.018  0.00  0.00    -0.276 OA
ENDBRANCH   1  11
BRANCH   3  15
ATOM     15  C   LIG    1        1.099  -1.267  -2.454  0.00  0.00    +0.035 A 
ATOM     16  C   LIG    1        1.529  -2.533  -2.037  0.00  0.00    +0.024 A 
ATOM     17  C   LIG    1        1.806  -3.535  -2.972  0.00  0.00    +0.017 A 
ATOM     18  C   LIG    1        1.645  -3.275  -4.330  0.00  0.00    +0.018 A 
ATOM     19 BR   LIG    1        2.016  -4.627  -5.597  0.00  0.00    -0.050 Br
ATOM     20  C   LIG    1        1.209  -2.024  -4.758  0.00  0.00    +0.017 A 
ATOM     21  C   LIG    1        0.932  -1.023  -3.820  0.00  0.00    +0.024 A 
ENDBRANCH   3  15
BRANCH   1  22
ATOM     22  C   LIG    1        0.170   3.171  -0.560  0.00  0.00    +0.183 C 
BRANCH  22  23
ATOM     23  C   LIG    1        0.769   3.752   0.674  0.00  0.00    +0.122 A 
ATOM     24  O   LIG    1        2.064   3.418   0.950  0.00  0.00    -0.466 OA
ATOM     25  C   LIG    1        2.406   4.058   2.097  0.00  0.00    +0.195 A 
ATOM     26  C   LIG    1        1.348   4.799   2.568  0.00  0.00    +0.041 A 
ATOM     27  C   LIG    1        0.289   4.606   1.648  0.00  0.00    +0.046 A 
ENDBRANCH  22  23
ENDBRANCH   1  22
TORSDOF 4