REMARK  Name = BDB027898
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.086  -0.642  -0.658  0.00  0.00    -0.330 N 
ATOM      2  H   LIG    1        0.108  -1.672  -0.712  0.00  0.00    +0.147 HD
ENDROOT
BRANCH   1   9
ATOM      3  O   LIG    1       -5.091   0.303   0.827  0.00  0.00    -0.275 OA
ATOM      4  C   LIG    1       -3.884   0.178   0.642  0.00  0.00    +0.219 C 
ATOM      5  N   LIG    1       -3.263  -1.033   0.813  0.00  0.00    -0.255 N 
ATOM      6  H   LIG    1       -3.872  -1.814   1.020  0.00  0.00    +0.158 HD
ATOM      7  C   LIG    1       -1.963  -1.355   0.503  0.00  0.00    +0.239 C 
ATOM      8  O   LIG    1       -1.593  -2.528   0.513  0.00  0.00    -0.273 OA
ATOM      9  C   LIG    1       -1.024  -0.175   0.184  0.00  0.00    +0.158 C 
ATOM     10  C   LIG    1       -1.818   0.889  -0.571  0.00  0.00    +0.041 C 
ATOM     11  C   LIG    1       -2.998   1.343   0.272  0.00  0.00    +0.098 C 
ENDBRANCH   1   9
BRANCH   1  12
ATOM     12  C   LIG    1        1.393  -0.214  -0.357  0.00  0.00    +0.071 A 
ATOM     13  C   LIG    1        2.463  -1.103  -0.584  0.00  0.00    +0.138 A 
ATOM     14  C   LIG    1        3.791  -0.731  -0.377  0.00  0.00    +0.049 A 
ATOM     15  C   LIG    1        4.074   0.565   0.048  0.00  0.00    +0.023 A 
ATOM     16  C   LIG    1        3.031   1.468   0.249  0.00  0.00    +0.043 A 
ATOM     17 CL   LIG    1        3.386   3.076   0.755  0.00  0.00    -0.083 Cl
ATOM     18  C   LIG    1        1.702   1.090   0.038  0.00  0.00    +0.046 A 
BRANCH  13  19
ATOM     19  O   LIG    1        2.156  -2.375  -0.999  0.00  0.00    -0.505 OA
ATOM     20  H   LIG    1        2.981  -2.860  -1.159  0.00  0.00    +0.292 HD
ENDBRANCH  13  19
ENDBRANCH   1  12
TORSDOF 3