REMARK  Name = BDB002751
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.266  -2.182  -0.274  0.00  0.00    +0.210 C 
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1       -0.528  -3.738  -0.090  0.00  0.00    +0.225 C 
ATOM      3 CL   LIG    1        0.952  -4.660  -0.570  0.00  0.00    -0.080 Cl
ATOM      4 CL   LIG    1       -0.856  -4.137   1.643  0.00  0.00    -0.080 Cl
ATOM      5 CL   LIG    1       -1.896  -4.350  -1.068  0.00  0.00    -0.080 Cl
ENDBRANCH   1   2
BRANCH   1   6
ATOM      6  N   LIG    1       -1.323  -1.333   0.234  0.00  0.00    -0.289 N 
ATOM      7  H   LIG    1       -1.068  -0.829   1.072  0.00  0.00    +0.151 HD
ATOM      8  C   LIG    1       -2.362  -0.919  -0.560  0.00  0.00    +0.247 C 
ATOM      9  O   LIG    1       -2.479  -1.274  -1.727  0.00  0.00    -0.270 OA
BRANCH   8  10
ATOM     10  C   LIG    1       -3.330   0.032   0.032  0.00  0.00    +0.055 A 
ATOM     11  C   LIG    1       -3.534   0.141   1.402  0.00  0.00    +0.123 A 
ATOM     12  N   LIG    1       -4.413   1.004   1.970  0.00  0.00    -0.263 NA
ATOM     13  C   LIG    1       -5.133   1.780   1.130  0.00  0.00    +0.111 A 
ATOM     14  C   LIG    1       -5.017   1.732  -0.250  0.00  0.00    +0.020 A 
ATOM     15  C   LIG    1       -4.102   0.841  -0.805  0.00  0.00    +0.016 A 
ENDBRANCH   8  10
ENDBRANCH   1   6
BRANCH   1  16
ATOM     16  N   LIG    1        0.895  -1.708   0.508  0.00  0.00    -0.323 N 
ATOM     17  H   LIG    1        1.488  -2.479   0.820  0.00  0.00    +0.148 HD
BRANCH  16  21
ATOM     18  C   LIG    1        3.342   1.550  -0.644  0.00  0.00    +0.120 A 
ATOM     19  C   LIG    1        2.084   1.391  -1.222  0.00  0.00    +0.047 A 
ATOM     20  C   LIG    1        1.261   0.314  -0.869  0.00  0.00    +0.026 A 
ATOM     21  C   LIG    1        1.688  -0.648   0.049  0.00  0.00    +0.029 A 
ATOM     22  C   LIG    1        2.940  -0.452   0.652  0.00  0.00    +0.026 A 
ATOM     23  C   LIG    1        3.767   0.625   0.303  0.00  0.00    +0.047 A 
BRANCH  18  25
ATOM     24  C   LIG    1        5.335   2.839  -0.523  0.00  0.00    +0.277 C 
ATOM     25  O   LIG    1        4.040   2.642  -1.077  0.00  0.00    -0.495 OA
ENDBRANCH  18  25
ENDBRANCH  16  21
ENDBRANCH   1  16
TORSDOF 6