REMARK  Name = BDB012423
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.156  -4.236  -1.548  0.00  0.00    +0.066 C 
ATOM      2  C   LIG    1       -2.154  -3.098  -0.608  0.00  0.00    +0.045 A 
ATOM      3  C   LIG    1       -1.218  -2.155  -0.290  0.00  0.00    +0.083 A 
ATOM      4  C   LIG    1        0.121  -1.743  -0.576  0.00  0.00    +0.255 C 
ATOM      5  N   LIG    1        0.369  -0.629   0.286  0.00  0.00    -0.253 N 
ATOM      6  C   LIG    1       -0.853  -0.276   1.094  0.00  0.00    +0.163 C 
ATOM      7  O   LIG    1        0.855  -2.287  -1.384  0.00  0.00    -0.269 OA
ATOM      8  C   LIG    1       -1.795  -1.338   0.663  0.00  0.00    +0.100 A 
ATOM      9  N   LIG    1       -3.018  -1.722   1.020  0.00  0.00    -0.176 NA
ATOM     10  N   LIG    1       -3.231  -2.788   0.200  0.00  0.00    -0.281 N 
ATOM     11  H   LIG    1       -4.127  -3.264   0.255  0.00  0.00    +0.189 HD
ENDROOT
BRANCH   5  12
ATOM     12  C   LIG    1        1.591   0.037   0.415  0.00  0.00    +0.055 A 
ATOM     13  C   LIG    1        2.673  -0.245  -0.338  0.00  0.00    +0.112 A 
ATOM     14  N   LIG    1        3.883   0.424  -0.207  0.00  0.00    -0.315 N 
ATOM     15  C   LIG    1        4.981   0.034  -1.081  0.00  0.00    +0.152 C 
ATOM     16  C   LIG    1        4.081   1.451   0.717  0.00  0.00    +0.270 A 
ATOM     17  O   LIG    1        5.140   2.060   0.847  0.00  0.00    -0.266 OA
ATOM     18  C   LIG    1        2.890   1.768   1.564  0.00  0.00    +0.107 A 
ATOM     19 CL   LIG    1        3.034   3.014   2.745  0.00  0.00    -0.078 Cl
ATOM     20  C   LIG    1        1.741   1.095   1.407  0.00  0.00    +0.050 A 
ENDBRANCH   5  12
BRANCH   6  21
ATOM     21  C   LIG    1       -1.513   1.042   0.727  0.00  0.00    -0.021 A 
ATOM     22  C   LIG    1       -2.286   1.710   1.695  0.00  0.00    +0.007 A 
ATOM     23  C   LIG    1       -2.908   2.927   1.403  0.00  0.00    +0.020 A 
ATOM     24  C   LIG    1       -2.769   3.489   0.138  0.00  0.00    +0.041 A 
ATOM     25 CL   LIG    1       -3.534   4.987  -0.223  0.00  0.00    -0.084 Cl
ATOM     26  C   LIG    1       -2.017   2.843  -0.840  0.00  0.00    +0.020 A 
ATOM     27  C   LIG    1       -1.395   1.625  -0.549  0.00  0.00    +0.007 A 
ENDBRANCH   6  21
TORSDOF 2