REMARK  Name = BDB014269
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -3.679   0.257  -0.327  0.00  0.00    +0.086 A 
ATOM      2  C   LIG    1       -2.524   0.527   0.412  0.00  0.00    +0.079 A 
ATOM      3  C   LIG    1       -2.591   1.237   1.605  0.00  0.00    +0.090 A 
ATOM      4  C   LIG    1       -1.276   1.350   2.115  0.00  0.00    +0.054 A 
ATOM      5  C   LIG    1       -0.423   0.711   1.232  0.00  0.00    +0.056 A 
ATOM      6  N   LIG    1       -3.750   1.706   2.125  0.00  0.00    -0.253 NA
ATOM      7  C   LIG    1       -4.853   1.435   1.397  0.00  0.00    +0.112 A 
ATOM      8  N   LIG    1       -1.201   0.220   0.207  0.00  0.00    -0.353 N 
ATOM      9  H   LIG    1       -0.849  -0.299  -0.592  0.00  0.00    +0.166 HD
ATOM     10  C   LIG    1       -4.879   0.737   0.201  0.00  0.00    +0.037 A 
ENDROOT
BRANCH   1  12
ATOM     11  O   LIG    1       -4.675  -0.739  -2.264  0.00  0.00    -0.245 OA
ATOM     12  C   LIG    1       -3.687  -0.488  -1.599  0.00  0.00    +0.339 C 
BRANCH  12  13
ATOM     13  O   LIG    1       -2.461  -0.888  -1.985  0.00  0.00    -0.477 OA
ATOM     14  H   LIG    1       -2.623  -1.361  -2.829  0.00  0.00    +0.295 HD
ENDBRANCH  12  13
ENDBRANCH   1  12
BRANCH   5  15
ATOM     15  C   LIG    1        1.057   0.524   1.270  0.00  0.00    +0.282 C 
BRANCH  15  16
ATOM     16  O   LIG    1        1.413  -0.211   0.103  0.00  0.00    -0.484 OA
BRANCH  16  17
ATOM     17  C   LIG    1        2.734  -0.513  -0.092  0.00  0.00    +0.139 A 
ATOM     18  C   LIG    1        3.048  -1.239  -1.254  0.00  0.00    +0.083 A 
ATOM     19 CL   LIG    1        1.816  -1.720  -2.371  0.00  0.00    -0.080 Cl
ATOM     20  C   LIG    1        4.369  -1.594  -1.540  0.00  0.00    +0.023 A 
ATOM     21  C   LIG    1        5.392  -1.227  -0.669  0.00  0.00    +0.002 A 
ATOM     22  C   LIG    1        5.092  -0.507   0.486  0.00  0.00    +0.004 A 
ATOM     23  C   LIG    1        3.771  -0.151   0.775  0.00  0.00    +0.047 A 
ENDBRANCH  16  17
ENDBRANCH  15  16
ENDBRANCH   5  15
TORSDOF 5