REMARK  Name = BDB027926
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.243   1.039   0.170  0.00  0.00    -0.330 N 
ATOM      2  H   LIG    1       -0.004   1.740   0.876  0.00  0.00    +0.147 HD
ENDROOT
BRANCH   1   3
ATOM      3  C   LIG    1        1.628   0.575   0.331  0.00  0.00    +0.158 C 
ATOM      4  C   LIG    1        1.784  -0.644   1.254  0.00  0.00    +0.239 C 
ATOM      5  O   LIG    1        1.199  -0.768   2.329  0.00  0.00    -0.273 OA
ATOM      6  N   LIG    1        2.696  -1.593   0.855  0.00  0.00    -0.255 N 
ATOM      7  H   LIG    1        2.795  -2.385   1.476  0.00  0.00    +0.158 HD
ATOM      8  C   LIG    1        3.723  -1.417  -0.036  0.00  0.00    +0.219 C 
ATOM      9  O   LIG    1        4.646  -2.225  -0.104  0.00  0.00    -0.275 OA
ATOM     10  C   LIG    1        3.712  -0.140  -0.840  0.00  0.00    +0.098 C 
ATOM     11  C   LIG    1        2.297   0.382  -1.029  0.00  0.00    +0.041 C 
ENDBRANCH   1   3
BRANCH   1  13
ATOM     12  C   LIG    1       -2.137   0.689   0.439  0.00  0.00    +0.142 A 
ATOM     13  C   LIG    1       -0.869   0.193   0.032  0.00  0.00    +0.070 A 
ATOM     14  C   LIG    1       -0.820  -1.061  -0.588  0.00  0.00    +0.028 A 
ATOM     15  C   LIG    1       -1.978  -1.825  -0.759  0.00  0.00    +0.022 A 
ATOM     16  C   LIG    1       -3.205  -1.331  -0.330  0.00  0.00    +0.045 A 
ATOM     17 CL   LIG    1       -4.627  -2.278  -0.546  0.00  0.00    -0.083 Cl
ATOM     18  C   LIG    1       -3.294  -0.077   0.267  0.00  0.00    +0.067 A 
BRANCH  12  20
ATOM     19  C   LIG    1       -3.351   2.504   1.414  0.00  0.00    +0.277 C 
ATOM     20  O   LIG    1       -2.107   1.939   1.021  0.00  0.00    -0.493 OA
ENDBRANCH  12  20
ENDBRANCH   1  13
TORSDOF 3