REMARK  Name = BDB006601
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        3.416  -0.226   0.068  0.00  0.00    -0.268 N 
ATOM      2  N   LIG    1        2.843  -1.224   0.794  0.00  0.00    -0.166 NA
ATOM      3  C   LIG    1        1.555  -1.107   0.481  0.00  0.00    +0.153 A 
ATOM      4  C   LIG    1        0.338  -1.803   0.841  0.00  0.00    +0.272 C 
ATOM      5  N   LIG    1       -0.695  -1.141   0.101  0.00  0.00    -0.253 N 
ATOM      6  C   LIG    1       -0.143  -0.009  -0.717  0.00  0.00    +0.146 C 
ATOM      7  O   LIG    1        0.261  -2.753   1.603  0.00  0.00    -0.268 OA
ATOM      8  C   LIG    1        1.299  -0.079  -0.414  0.00  0.00    +0.028 A 
ATOM      9  C   LIG    1        2.512   0.487  -0.693  0.00  0.00    +0.115 A 
ENDROOT
BRANCH   5  10
ATOM     10  C   LIG    1       -2.047  -1.502   0.065  0.00  0.00    +0.055 A 
ATOM     11  C   LIG    1       -2.935  -0.897  -0.751  0.00  0.00    +0.112 A 
ATOM     12  N   LIG    1       -4.278  -1.240  -0.802  0.00  0.00    -0.315 N 
ATOM     13  C   LIG    1       -5.145  -0.512  -1.718  0.00  0.00    +0.152 C 
ATOM     14  C   LIG    1       -4.826  -2.250  -0.008  0.00  0.00    +0.270 A 
ATOM     15  O   LIG    1       -6.011  -2.574  -0.043  0.00  0.00    -0.266 OA
ATOM     16  C   LIG    1       -3.856  -2.925   0.906  0.00  0.00    +0.107 A 
ATOM     17 CL   LIG    1       -4.443  -4.173   1.939  0.00  0.00    -0.078 Cl
ATOM     18  C   LIG    1       -2.566  -2.558   0.922  0.00  0.00    +0.050 A 
ENDBRANCH   5  10
BRANCH   6  19
ATOM     19  C   LIG    1       -0.582   1.379  -0.289  0.00  0.00    -0.022 A 
ATOM     20  C   LIG    1       -0.865   1.704   1.051  0.00  0.00    +0.007 A 
ATOM     21  C   LIG    1       -1.266   2.995   1.405  0.00  0.00    +0.020 A 
ATOM     22  C   LIG    1       -1.383   3.978   0.426  0.00  0.00    +0.041 A 
ATOM     23 CL   LIG    1       -1.876   5.567   0.861  0.00  0.00    -0.084 Cl
ATOM     24  C   LIG    1       -1.101   3.681  -0.905  0.00  0.00    +0.020 A 
ATOM     25  C   LIG    1       -0.701   2.391  -1.261  0.00  0.00    +0.007 A 
ENDBRANCH   6  19
BRANCH   1  27
ATOM     26  C   LIG    1        5.288   0.401   1.550  0.00  0.00    +0.032 C 
ATOM     27  C   LIG    1        4.856   0.003   0.139  0.00  0.00    +0.101 C 
ATOM     28  C   LIG    1        5.641  -1.207  -0.365  0.00  0.00    +0.032 C 
ENDBRANCH   1  27
TORSDOF 3