REMARK  Name = BDB028401
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        3.418  -1.985   2.676  0.00  0.00    +0.173 C 
ATOM      2  N   LIG    1        2.066  -2.092   2.176  0.00  0.00    -0.266 N 
ATOM      3  C   LIG    1        1.466  -1.319   1.203  0.00  0.00    +0.078 A 
ATOM      4  C   LIG    1        0.191  -1.852   1.059  0.00  0.00    +0.027 A 
ATOM      5  C   LIG    1        0.135  -2.917   1.983  0.00  0.00    +0.143 A 
ATOM      6  N   LIG    1        1.264  -3.047   2.680  0.00  0.00    -0.179 NA
ENDROOT
BRANCH   4   7
ATOM      7  C   LIG    1       -0.816  -1.394   0.121  0.00  0.00    -0.014 A 
ATOM      8  C   LIG    1       -1.237  -0.056   0.120  0.00  0.00    +0.019 A 
ATOM      9  C   LIG    1       -2.206   0.379  -0.794  0.00  0.00    +0.012 A 
ATOM     10  C   LIG    1       -2.771  -0.533  -1.681  0.00  0.00    +0.050 A 
ATOM     11  C   LIG    1       -3.822  -0.078  -2.606  0.00  0.00    +0.272 A 
ATOM     12  N   LIG    1       -4.178   1.245  -2.513  0.00  0.00    -0.242 N 
ATOM     13  H   LIG    1       -4.902   1.576  -3.143  0.00  0.00    +0.192 HD
ATOM     14  N   LIG    1       -3.624   2.169  -1.682  0.00  0.00    -0.174 NA
ATOM     15  O   LIG    1       -4.348  -0.846  -3.404  0.00  0.00    -0.266 OA
ATOM     16  C   LIG    1       -2.359  -1.870  -1.685  0.00  0.00    +0.014 A 
ATOM     17  C   LIG    1       -2.682   1.783  -0.871  0.00  0.00    +0.083 A 
ATOM     18  C   LIG    1       -1.380  -2.297  -0.786  0.00  0.00    +0.009 A 
BRANCH  17  19
ATOM     19  C   LIG    1       -2.057   2.850   0.025  0.00  0.00    +0.136 C 
BRANCH  19  20
ATOM     20  N   LIG    1       -2.588   2.718   1.382  0.00  0.00    -0.325 NA
ATOM     21  H   LIG    1       -3.607   2.801   1.334  0.00  0.00    +0.119 HD
ATOM     22  H   LIG    1       -2.284   3.520   1.934  0.00  0.00    +0.119 HD
ENDBRANCH  19  20
ENDBRANCH  17  19
ENDBRANCH   4   7
BRANCH   3  23
ATOM     23  C   LIG    1        2.128  -0.213   0.504  0.00  0.00    +0.019 A 
ATOM     24  C   LIG    1        2.551  -0.315  -0.839  0.00  0.00    +0.081 A 
ATOM     25  C   LIG    1        3.150   0.794  -1.468  0.00  0.00    +0.077 A 
ATOM     26 CL   LIG    1        3.675   0.683  -3.122  0.00  0.00    -0.081 Cl
ATOM     27  C   LIG    1        3.322   1.990  -0.754  0.00  0.00    +0.061 A 
ATOM     28 CL   LIG    1        4.044   3.398  -1.452  0.00  0.00    -0.082 Cl
ATOM     29  C   LIG    1        2.904   2.085   0.574  0.00  0.00    +0.022 A 
ATOM     30  C   LIG    1        2.309   0.991   1.200  0.00  0.00    +0.013 A 
BRANCH  24  31
ATOM     31  C   LIG    1        2.380  -1.550  -1.554  0.00  0.00    +0.101 C 
ATOM     32  N   LIG    1        2.243  -2.553  -2.122  0.00  0.00    -0.191 NA
ENDBRANCH  24  31
ENDBRANCH   3  23
TORSDOF 5