REMARK  Name = BDB051068
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        0.009   1.215   0.199  0.00  0.00    -0.490 OA
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1        1.348   1.024   0.011  0.00  0.00    +0.121 A 
ATOM      3  C   LIG    1        1.978   0.653  -1.176  0.00  0.00    +0.046 A 
ATOM      4  C   LIG    1        3.367   0.486  -1.215  0.00  0.00    +0.007 A 
ATOM      5  C   LIG    1        4.146   0.692  -0.069  0.00  0.00    -0.045 A 
ATOM      6  C   LIG    1        3.510   1.065   1.119  0.00  0.00    +0.007 A 
ATOM      7  C   LIG    1        2.124   1.229   1.154  0.00  0.00    +0.046 A 
BRANCH   5   8
ATOM      8  C   LIG    1        5.644   0.497  -0.113  0.00  0.00    +0.066 C 
BRANCH   8   9
ATOM      9  C   LIG    1        6.070  -0.969   0.017  0.00  0.00    +0.193 C 
ATOM     10 CL   LIG    1        5.865  -1.572   1.689  0.00  0.00    -0.110 Cl
BRANCH   9  11
ATOM     11  C   LIG    1        7.531  -1.125  -0.345  0.00  0.00    +0.323 C 
ATOM     12  O   LIG    1        8.392  -0.260  -0.318  0.00  0.00    -0.249 OA
BRANCH  11  13
ATOM     13  O   LIG    1        7.849  -2.380  -0.728  0.00  0.00    -0.480 OA
ATOM     14  H   LIG    1        8.818  -2.352  -0.881  0.00  0.00    +0.295 HD
ENDBRANCH  11  13
ENDBRANCH   9  11
ENDBRANCH   8   9
ENDBRANCH   5   8
ENDBRANCH   1   2
BRANCH   1  15
ATOM     15  C   LIG    1       -0.888   1.011  -0.898  0.00  0.00    +0.248 C 
BRANCH  15  16
ATOM     16  C   LIG    1       -1.260  -0.470  -1.079  0.00  0.00    +0.150 C 
BRANCH  16  18
ATOM     17  C   LIG    1       -1.532  -1.271   1.270  0.00  0.00    +0.134 C 
ATOM     18  N   LIG    1       -2.139  -0.977  -0.020  0.00  0.00    -0.285 N 
BRANCH  18  19
ATOM     19  C   LIG    1       -3.450  -0.636  -0.011  0.00  0.00    +0.291 A 
ATOM     20  O   LIG    1       -3.975  -0.113  -1.167  0.00  0.00    -0.424 OA
ATOM     21  C   LIG    1       -5.282   0.124  -0.865  0.00  0.00    +0.157 A 
ATOM     22  C   LIG    1       -5.486  -0.262   0.448  0.00  0.00    +0.111 A 
ATOM     23  C   LIG    1       -6.763  -0.117   1.006  0.00  0.00    +0.031 A 
ATOM     24  C   LIG    1       -7.780   0.416   0.199  0.00  0.00    +0.002 A 
ATOM     25  C   LIG    1       -7.530   0.795  -1.127  0.00  0.00    +0.004 A 
ATOM     26  C   LIG    1       -6.259   0.656  -1.697  0.00  0.00    +0.048 A 
ATOM     27  N   LIG    1       -4.317  -0.742   0.976  0.00  0.00    -0.195 NA
ENDBRANCH  18  19
ENDBRANCH  16  18
ENDBRANCH  15  16
ENDBRANCH   1  15
TORSDOF 9