REMARK  Name = BDB028404
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.850   1.391  -0.186  0.00  0.00    -0.012 A 
ATOM      2  C   LIG    1        1.204   0.089   0.176  0.00  0.00    +0.019 A 
ATOM      3  C   LIG    1        2.256  -0.572  -0.476  0.00  0.00    +0.014 A 
ATOM      4  C   LIG    1        2.992   0.080  -1.475  0.00  0.00    +0.068 A 
ATOM      5  C   LIG    1        4.125  -0.658  -2.083  0.00  0.00    +0.274 A 
ATOM      6  N   LIG    1        4.360  -1.925  -1.605  0.00  0.00    -0.242 N 
ATOM      7  H   LIG    1        5.136  -2.431  -2.022  0.00  0.00    +0.192 HD
ATOM      8  N   LIG    1        3.637  -2.585  -0.670  0.00  0.00    -0.174 NA
ATOM      9  O   LIG    1        4.843  -0.198  -2.961  0.00  0.00    -0.266 OA
ATOM     10  C   LIG    1        2.640   1.390  -1.835  0.00  0.00    +0.055 A 
ATOM     11 CL   LIG    1        3.445   2.318  -3.052  0.00  0.00    -0.083 Cl
ATOM     12  C   LIG    1        2.628  -1.969  -0.131  0.00  0.00    +0.083 A 
ATOM     13  C   LIG    1        1.571   2.034  -1.194  0.00  0.00    +0.029 A 
ENDROOT
BRANCH   1  17
ATOM     14  C   LIG    1       -3.609   2.629   1.665  0.00  0.00    +0.173 C 
ATOM     15  N   LIG    1       -2.212   2.606   1.291  0.00  0.00    -0.266 N 
ATOM     16  C   LIG    1       -1.530   1.591   0.650  0.00  0.00    +0.078 A 
ATOM     17  C   LIG    1       -0.240   2.082   0.477  0.00  0.00    +0.028 A 
ATOM     18  C   LIG    1       -0.263   3.371   1.053  0.00  0.00    +0.143 A 
ATOM     19  N   LIG    1       -1.451   3.679   1.570  0.00  0.00    -0.179 NA
BRANCH  16  20
ATOM     20  C   LIG    1       -2.143   0.320   0.249  0.00  0.00    +0.019 A 
ATOM     21  C   LIG    1       -2.410   0.003  -1.100  0.00  0.00    +0.079 A 
ATOM     22  C   LIG    1       -2.975  -1.243  -1.411  0.00  0.00    +0.059 A 
ATOM     23 CL   LIG    1       -3.331  -1.712  -3.037  0.00  0.00    -0.082 Cl
ATOM     24  C   LIG    1       -3.271  -2.162  -0.399  0.00  0.00    +0.021 A 
ATOM     25  C   LIG    1       -3.006  -1.849   0.931  0.00  0.00    +0.002 A 
ATOM     26  C   LIG    1       -2.444  -0.615   1.253  0.00  0.00    +0.011 A 
BRANCH  21  27
ATOM     27  C   LIG    1       -2.113   0.945  -2.142  0.00  0.00    +0.101 C 
ATOM     28  N   LIG    1       -1.864   1.713  -2.977  0.00  0.00    -0.191 NA
ENDBRANCH  21  27
ENDBRANCH  16  20
ENDBRANCH   1  17
BRANCH  12  29
ATOM     29  C   LIG    1        1.814  -2.754   0.896  0.00  0.00    +0.136 C 
BRANCH  29  30
ATOM     30  N   LIG    1        2.178  -2.310   2.243  0.00  0.00    -0.325 NA
ATOM     31  H   LIG    1        1.738  -2.930   2.923  0.00  0.00    +0.119 HD
ATOM     32  H   LIG    1        3.183  -2.455   2.364  0.00  0.00    +0.119 HD
ENDBRANCH  29  30
ENDBRANCH  12  29
TORSDOF 5