REMARK  Name = BDB012450
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.840  -4.294   1.075  0.00  0.00    +0.066 C 
ATOM      2  C   LIG    1       -2.459  -3.141   0.235  0.00  0.00    +0.045 A 
ATOM      3  C   LIG    1       -1.398  -2.281   0.261  0.00  0.00    +0.083 A 
ATOM      4  C   LIG    1       -0.182  -2.000   0.962  0.00  0.00    +0.255 C 
ATOM      5  N   LIG    1        0.406  -0.895   0.272  0.00  0.00    -0.253 N 
ATOM      6  C   LIG    1       -0.476  -0.418  -0.855  0.00  0.00    +0.163 C 
ATOM      7  O   LIG    1        0.214  -2.630   1.926  0.00  0.00    -0.269 OA
ATOM      8  C   LIG    1       -1.587  -1.397  -0.782  0.00  0.00    +0.100 A 
ATOM      9  N   LIG    1       -2.667  -1.661  -1.512  0.00  0.00    -0.176 NA
ATOM     10  N   LIG    1       -3.207  -2.719  -0.848  0.00  0.00    -0.281 N 
ATOM     11  H   LIG    1       -4.078  -3.111  -1.195  0.00  0.00    +0.189 HD
ENDROOT
BRANCH   5  12
ATOM     12  C   LIG    1        1.657  -0.327   0.533  0.00  0.00    +0.055 A 
ATOM     13  C   LIG    1        2.173   0.665  -0.223  0.00  0.00    +0.112 A 
ATOM     14  N   LIG    1        3.410   1.242   0.021  0.00  0.00    -0.315 N 
ATOM     15  C   LIG    1        3.860   2.313  -0.857  0.00  0.00    +0.152 C 
ATOM     16  C   LIG    1        4.233   0.840   1.076  0.00  0.00    +0.270 A 
ATOM     17  O   LIG    1        5.332   1.335   1.309  0.00  0.00    -0.266 OA
ATOM     18  C   LIG    1        3.673  -0.258   1.923  0.00  0.00    +0.107 A 
ATOM     19 CL   LIG    1        4.611  -0.817   3.256  0.00  0.00    -0.078 Cl
ATOM     20  C   LIG    1        2.471  -0.784   1.650  0.00  0.00    +0.050 A 
ENDBRANCH   5  12
BRANCH   6  21
ATOM     21  C   LIG    1       -1.107   0.950  -0.651  0.00  0.00    -0.021 A 
ATOM     22  C   LIG    1       -1.335   1.501   0.624  0.00  0.00    +0.007 A 
ATOM     23  C   LIG    1       -1.913   2.767   0.763  0.00  0.00    +0.020 A 
ATOM     24  C   LIG    1       -2.277   3.492  -0.368  0.00  0.00    +0.041 A 
ATOM     25 CL   LIG    1       -2.987   5.048  -0.195  0.00  0.00    -0.084 Cl
ATOM     26  C   LIG    1       -2.072   2.962  -1.639  0.00  0.00    +0.020 A 
ATOM     27  C   LIG    1       -1.492   1.698  -1.779  0.00  0.00    +0.007 A 
ENDBRANCH   6  21
TORSDOF 2