REMARK  Name = BDB050704
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.113  -0.057  -0.817  0.00  0.00    +0.285 C 
ENDROOT
BRANCH   1   3
ATOM      2  O   LIG    1       -2.810   1.651  -2.431  0.00  0.00    -0.247 OA
ATOM      3  C   LIG    1       -2.027   1.279  -1.569  0.00  0.00    +0.346 C 
BRANCH   3   4
ATOM      4  O   LIG    1       -0.992   2.065  -1.176  0.00  0.00    -0.478 OA
ATOM      5  H   LIG    1       -0.389   1.665  -0.517  0.00  0.00    +0.295 HD
ENDBRANCH   3   4
ENDBRANCH   1   3
BRANCH   1   6
ATOM      6  O   LIG    1       -3.390  -0.685  -0.962  0.00  0.00    -0.477 OA
BRANCH   6   7
ATOM      7  C   LIG    1       -4.408  -0.297  -0.136  0.00  0.00    +0.122 A 
ATOM      8  C   LIG    1       -4.442   0.859   0.646  0.00  0.00    +0.047 A 
ATOM      9  C   LIG    1       -5.558   1.132   1.445  0.00  0.00    +0.023 A 
ATOM     10  C   LIG    1       -6.641   0.255   1.457  0.00  0.00    +0.041 A 
ATOM     11 CL   LIG    1       -8.008   0.595   2.443  0.00  0.00    -0.084 Cl
ATOM     12  C   LIG    1       -6.621  -0.893   0.671  0.00  0.00    +0.023 A 
ATOM     13  C   LIG    1       -5.506  -1.163  -0.126  0.00  0.00    +0.047 A 
ENDBRANCH   6   7
ENDBRANCH   1   6
BRANCH   1  14
ATOM     14  C   LIG    1       -1.090  -1.040  -1.411  0.00  0.00    +0.091 C 
BRANCH  14  15
ATOM     15  C   LIG    1        0.321  -0.800  -0.930  0.00  0.00    -0.043 A 
ATOM     16  C   LIG    1        1.267  -0.200  -1.768  0.00  0.00    +0.004 A 
ATOM     17  C   LIG    1        2.561   0.056  -1.305  0.00  0.00    +0.009 A 
ATOM     18  C   LIG    1        2.947  -0.285   0.001  0.00  0.00    -0.018 A 
ATOM     19  C   LIG    1        1.991  -0.894   0.829  0.00  0.00    +0.009 A 
ATOM     20  C   LIG    1        0.696  -1.151   0.372  0.00  0.00    +0.004 A 
BRANCH  18  21
ATOM     21  C   LIG    1        4.311  -0.017   0.485  0.00  0.00    -0.018 A 
ATOM     22  C   LIG    1        5.434  -0.466  -0.231  0.00  0.00    +0.008 A 
ATOM     23  C   LIG    1        6.730  -0.212   0.227  0.00  0.00    +0.001 A 
ATOM     24  C   LIG    1        6.926   0.496   1.409  0.00  0.00    +0.000 A 
ATOM     25  C   LIG    1        5.828   0.950   2.135  0.00  0.00    +0.001 A 
ATOM     26  C   LIG    1        4.532   0.695   1.676  0.00  0.00    +0.008 A 
ENDBRANCH  18  21
ENDBRANCH  14  15
ENDBRANCH   1  14
TORSDOF 7