REMARK  Name = BDB021898
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.614  -1.022  -0.410  0.00  0.00    -0.275 N 
ATOM      2  C   LIG    1        0.570  -0.286  -0.299  0.00  0.00    +0.307 C 
ATOM      3  N   LIG    1        1.709  -1.054  -0.203  0.00  0.00    -0.269 N 
ATOM      4  H   LIG    1        1.566  -1.985   0.171  0.00  0.00    +0.156 HD
ATOM      5  O   LIG    1        0.560   0.942  -0.265  0.00  0.00    -0.252 OA
ENDROOT
BRANCH   1  11
ATOM      6  C   LIG    1       -4.241   4.195   0.879  0.00  0.00    +0.109 C 
ATOM      7  C   LIG    1       -4.377   3.193  -0.238  0.00  0.00    +0.212 C 
ATOM      8  N   LIG    1       -3.428   2.184  -0.311  0.00  0.00    -0.302 N 
ATOM      9  C   LIG    1       -2.328   1.997   0.638  0.00  0.00    +0.109 C 
ATOM     10  C   LIG    1       -2.097   0.518   0.936  0.00  0.00    +0.041 C 
ATOM     11  C   LIG    1       -1.917  -0.330  -0.341  0.00  0.00    +0.081 C 
ATOM     12  C   LIG    1       -2.225   0.448  -1.626  0.00  0.00    +0.041 C 
ATOM     13  C   LIG    1       -3.489   1.280  -1.456  0.00  0.00    +0.109 C 
ATOM     14  O   LIG    1       -5.308   3.280  -1.040  0.00  0.00    -0.276 OA
ENDBRANCH   1  11
BRANCH   3  15
ATOM     15  C   LIG    1        3.048  -0.615  -0.238  0.00  0.00    +0.035 A 
ATOM     16  C   LIG    1        3.438   0.657  -0.667  0.00  0.00    +0.027 A 
ATOM     17  C   LIG    1        4.794   1.036  -0.696  0.00  0.00    -0.035 A 
ATOM     18  C   LIG    1        5.154   2.420  -1.161  0.00  0.00    +0.045 C 
ATOM     19  C   LIG    1        5.761   0.105  -0.291  0.00  0.00    +0.021 A 
ATOM     20 BR   LIG    1        7.616   0.512  -0.292  0.00  0.00    -0.050 Br
ATOM     21  C   LIG    1        5.380  -1.172   0.127  0.00  0.00    +0.017 A 
ATOM     22  C   LIG    1        4.031  -1.530   0.150  0.00  0.00    +0.024 A 
ENDBRANCH   3  15
BRANCH   1  23
ATOM     23  C   LIG    1       -0.636  -2.426  -0.826  0.00  0.00    +0.183 C 
BRANCH  23  24
ATOM     24  C   LIG    1       -0.603  -3.297   0.377  0.00  0.00    +0.122 A 
ATOM     25  O   LIG    1        0.635  -3.631   0.850  0.00  0.00    -0.466 OA
ATOM     26  C   LIG    1        0.442  -4.413   1.943  0.00  0.00    +0.195 A 
ATOM     27  C   LIG    1       -0.901  -4.588   2.180  0.00  0.00    +0.041 A 
ATOM     28  C   LIG    1       -1.579  -3.867   1.168  0.00  0.00    +0.046 A 
ENDBRANCH  23  24
ENDBRANCH   1  23
TORSDOF 4