REMARK  Name = BDB028181
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.507   1.256  -0.206  0.00  0.00    -0.014 A 
ATOM      2  C   LIG    1        1.476   0.408  -0.762  0.00  0.00    +0.019 A 
ATOM      3  C   LIG    1        2.635   0.096  -0.041  0.00  0.00    +0.012 A 
ATOM      4  C   LIG    1        2.831   0.665   1.215  0.00  0.00    +0.050 A 
ATOM      5  C   LIG    1        4.066   0.364   1.957  0.00  0.00    +0.272 A 
ATOM      6  N   LIG    1        4.959  -0.465   1.329  0.00  0.00    -0.242 N 
ATOM      7  H   LIG    1        5.811  -0.700   1.829  0.00  0.00    +0.192 HD
ATOM      8  N   LIG    1        4.779  -1.073   0.126  0.00  0.00    -0.174 NA
ATOM      9  O   LIG    1        4.274   0.843   3.067  0.00  0.00    -0.266 OA
ATOM     10  C   LIG    1        1.872   1.522   1.770  0.00  0.00    +0.014 A 
ATOM     11  C   LIG    1        3.684  -0.833  -0.537  0.00  0.00    +0.083 A 
ATOM     12  C   LIG    1        0.706   1.812   1.061  0.00  0.00    +0.009 A 
ENDROOT
BRANCH   1  16
ATOM     13  C   LIG    1       -4.202   1.269  -1.792  0.00  0.00    +0.173 C 
ATOM     14  N   LIG    1       -2.790   1.525  -1.618  0.00  0.00    -0.266 N 
ATOM     15  C   LIG    1       -1.955   1.006  -0.651  0.00  0.00    +0.078 A 
ATOM     16  C   LIG    1       -0.705   1.536  -0.942  0.00  0.00    +0.027 A 
ATOM     17  C   LIG    1       -0.901   2.346  -2.078  0.00  0.00    +0.143 A 
ATOM     18  N   LIG    1       -2.170   2.351  -2.483  0.00  0.00    -0.179 NA
BRANCH  15  19
ATOM     19  C   LIG    1       -2.385   0.085   0.405  0.00  0.00    +0.019 A 
ATOM     20  C   LIG    1       -2.020  -1.276   0.410  0.00  0.00    +0.061 A 
ATOM     21  C   LIG    1       -2.450  -2.110   1.455  0.00  0.00    +0.021 A 
ATOM     22  C   LIG    1       -3.235  -1.598   2.490  0.00  0.00    +0.021 A 
ATOM     23  C   LIG    1       -3.591  -0.252   2.485  0.00  0.00    +0.042 A 
ATOM     24 CL   LIG    1       -4.556   0.381   3.760  0.00  0.00    -0.084 Cl
ATOM     25  C   LIG    1       -3.171   0.588   1.455  0.00  0.00    +0.031 A 
BRANCH  20  26
ATOM     26  C   LIG    1       -1.212  -1.845  -0.632  0.00  0.00    +0.100 C 
ATOM     27  N   LIG    1       -0.543  -2.304  -1.464  0.00  0.00    -0.191 NA
ENDBRANCH  20  26
ENDBRANCH  15  19
ENDBRANCH   1  16
BRANCH  11  28
ATOM     28  C   LIG    1        3.495  -1.558  -1.869  0.00  0.00    +0.136 C 
BRANCH  28  29
ATOM     29  N   LIG    1        2.637  -2.728  -1.680  0.00  0.00    -0.325 NA
ATOM     30  H   LIG    1        1.660  -2.452  -1.540  0.00  0.00    +0.119 HD
ATOM     31  H   LIG    1        2.632  -3.283  -2.534  0.00  0.00    +0.119 HD
ENDBRANCH  28  29
ENDBRANCH  11  28
TORSDOF 5