REMARK  Name = BDB025407
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.608   1.124  -2.472  0.00  0.00    +0.142 A 
ATOM      2  C   LIG    1        3.010   0.316  -1.411  0.00  0.00    +0.018 A 
ATOM      3  C   LIG    1        4.356  -0.056  -0.898  0.00  0.00    +0.055 C 
ATOM      4  C   LIG    1        4.222  -0.787   0.456  0.00  0.00    +0.086 C 
ATOM      5  N   LIG    1        3.120  -1.774   0.467  0.00  0.00    -0.310 NA
ATOM      6  H   LIG    1        3.259  -2.412  -0.317  0.00  0.00    +0.122 HD
ATOM      7  C   LIG    1        1.812  -1.113   0.295  0.00  0.00    +0.137 C 
ATOM      8  C   LIG    1        1.840  -0.174  -0.856  0.00  0.00    +0.067 A 
ATOM      9  N   LIG    1        0.789   0.397  -1.573  0.00  0.00    -0.201 N 
ATOM     10  C   LIG    1       -0.627   0.358  -1.454  0.00  0.00    +0.255 C 
ATOM     11  O   LIG    1       -1.321   0.822  -2.358  0.00  0.00    -0.270 OA
ATOM     12  N   LIG    1        1.293   1.153  -2.599  0.00  0.00    -0.149 NA
ENDROOT
BRANCH  10  13
ATOM     13  C   LIG    1       -1.210  -0.250  -0.197  0.00  0.00    +0.113 C 
ATOM     14  C   LIG    1       -2.318   0.599   0.427  0.00  0.00    -0.013 A 
ATOM     15  C   LIG    1       -3.450  -0.021   0.998  0.00  0.00    +0.050 A 
ATOM     16  C   LIG    1       -4.445   0.796   1.579  0.00  0.00    +0.062 A 
ATOM     17  C   LIG    1       -4.297   2.182   1.648  0.00  0.00    +0.022 A 
ATOM     18  C   LIG    1       -3.156   2.781   1.125  0.00  0.00    +0.002 A 
ATOM     19 CL   LIG    1       -5.875   0.096   2.262  0.00  0.00    -0.082 Cl
ATOM     20  N   LIG    1       -3.650  -1.408   0.879  0.00  0.00    -0.342 N 
ATOM     21  H   LIG    1       -4.290  -1.764   1.589  0.00  0.00    +0.146 HD
ATOM     22  C   LIG    1       -2.490  -2.232   0.616  0.00  0.00    +0.102 C 
ATOM     23  C   LIG    1       -2.172   1.997   0.524  0.00  0.00    +0.006 A 
ATOM     24  C   LIG    1       -1.720  -1.652  -0.556  0.00  0.00    +0.036 C 
ENDBRANCH  10  13
BRANCH   1  25
ATOM     25  N   LIG    1        3.438   1.780  -3.289  0.00  0.00    -0.341 N 
ATOM     26  H   LIG    1        3.011   2.144  -4.136  0.00  0.00    +0.144 HD
ATOM     27  H   LIG    1        4.382   1.446  -3.435  0.00  0.00    +0.144 HD
ENDBRANCH   1  25
TORSDOF 2