REMARK  Name = BDB048121
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        0.495  -0.426  -1.392  0.00  0.00    -0.476 OA
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1       -0.687  -0.019  -0.805  0.00  0.00    +0.215 A 
ATOM      3  N   LIG    1       -1.245  -0.760   0.172  0.00  0.00    -0.221 NA
ATOM      4  C   LIG    1       -2.407  -0.303   0.693  0.00  0.00    +0.118 A 
ATOM      5  C   LIG    1       -3.041   0.869   0.287  0.00  0.00    -0.026 A 
ATOM      6  C   LIG    1       -2.428   1.609  -0.729  0.00  0.00    +0.010 A 
ATOM      7  C   LIG    1       -1.235   1.158  -1.286  0.00  0.00    +0.067 A 
BRANCH   5   8
ATOM      8  C   LIG    1       -4.330   1.331   0.922  0.00  0.00    +0.083 C 
BRANCH   8   9
ATOM      9  C   LIG    1       -5.562   0.455   0.623  0.00  0.00    +0.169 C 
ATOM     10  O   LIG    1       -5.421  -0.812   1.297  0.00  0.00    -0.362 OA
ATOM     11  C   LIG    1       -6.678  -1.189   1.875  0.00  0.00    +0.161 C 
ATOM     12  C   LIG    1       -7.697  -0.154   1.453  0.00  0.00    +0.031 C 
ATOM     13  C   LIG    1       -6.837   1.064   1.217  0.00  0.00    +0.049 C 
BRANCH   9  14
ATOM     14  C   LIG    1       -5.754   0.270  -0.896  0.00  0.00    +0.337 C 
ATOM     15  O   LIG    1       -5.926  -0.780  -1.495  0.00  0.00    -0.248 OA
BRANCH  14  16
ATOM     16  O   LIG    1       -5.779   1.435  -1.582  0.00  0.00    -0.479 OA
ATOM     17  H   LIG    1       -5.905   1.142  -2.510  0.00  0.00    +0.295 HD
ENDBRANCH  14  16
ENDBRANCH   9  14
ENDBRANCH   8   9
ENDBRANCH   5   8
ENDBRANCH   1   2
BRANCH   1  18
ATOM     18  C   LIG    1        1.036  -1.615  -0.799  0.00  0.00    +0.237 C 
BRANCH  18  19
ATOM     19  C   LIG    1        2.329  -1.981  -1.524  0.00  0.00    +0.100 C 
BRANCH  19  22
ATOM     20  C   LIG    1        3.189   1.102  -2.593  0.00  0.00    +0.088 C 
ATOM     21  C   LIG    1        3.784   0.168  -1.623  0.00  0.00    +0.126 A 
ATOM     22  C   LIG    1        3.465  -1.090  -1.158  0.00  0.00    +0.086 A 
ATOM     23  N   LIG    1        4.399  -1.484  -0.226  0.00  0.00    -0.214 NA
ATOM     24  C   LIG    1        5.236  -0.467  -0.151  0.00  0.00    +0.228 A 
ATOM     25  O   LIG    1        4.919   0.577  -0.981  0.00  0.00    -0.440 OA
BRANCH  24  26
ATOM     26  C   LIG    1        6.428  -0.312   0.679  0.00  0.00    +0.037 A 
ATOM     27  C   LIG    1        6.802  -1.346   1.552  0.00  0.00    +0.014 A 
ATOM     28  C   LIG    1        7.938  -1.229   2.360  0.00  0.00    +0.021 A 
ATOM     29  C   LIG    1        8.710  -0.072   2.301  0.00  0.00    +0.041 A 
ATOM     30 CL   LIG    1       10.107   0.076   3.293  0.00  0.00    -0.084 Cl
ATOM     31  C   LIG    1        8.357   0.966   1.442  0.00  0.00    +0.021 A 
ATOM     32  C   LIG    1        7.221   0.846   0.635  0.00  0.00    +0.014 A 
ENDBRANCH  24  26
ENDBRANCH  19  22
ENDBRANCH  18  19
ENDBRANCH   1  18
TORSDOF 9