REMARK  Name = BDB057381
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -4.816   1.148   0.901  0.00  0.00    +0.047 C 
ATOM      2  C   LIG    1       -3.609   0.519   0.262  0.00  0.00    -0.005 A 
ATOM      3  C   LIG    1       -3.727  -0.650  -0.507  0.00  0.00    +0.124 A 
ATOM      4  C   LIG    1       -2.582  -1.208  -1.082  0.00  0.00    +0.049 A 
ATOM      5  C   LIG    1       -1.327  -0.610  -0.903  0.00  0.00    +0.049 A 
ATOM      6  C   LIG    1       -1.203   0.553  -0.149  0.00  0.00    +0.121 A 
ATOM      7  C   LIG    1       -2.345   1.107   0.433  0.00  0.00    +0.052 A 
ENDROOT
BRANCH   3   8
ATOM      8  O   LIG    1       -4.993  -1.159  -0.621  0.00  0.00    -0.481 OA
BRANCH   8   9
ATOM      9  C   LIG    1       -5.175  -2.285  -1.469  0.00  0.00    +0.349 C 
BRANCH   9  10
ATOM     10  C   LIG    1       -6.635  -2.691  -1.540  0.00  0.00    +0.343 C 
ATOM     11  O   LIG    1       -7.047  -3.834  -1.677  0.00  0.00    -0.247 OA
BRANCH  10  12
ATOM     12  O   LIG    1       -7.502  -1.660  -1.506  0.00  0.00    -0.478 OA
ATOM     13  H   LIG    1       -8.385  -2.080  -1.565  0.00  0.00    +0.295 HD
ENDBRANCH  10  12
ENDBRANCH   9  10
ENDBRANCH   8   9
ENDBRANCH   3   8
BRANCH   6  14
ATOM     14  O   LIG    1       -0.048   1.234   0.111  0.00  0.00    -0.492 OA
BRANCH  14  15
ATOM     15  C   LIG    1        1.161   0.818  -0.525  0.00  0.00    +0.232 C 
BRANCH  15  16
ATOM     16  C   LIG    1        1.878  -0.227   0.330  0.00  0.00    +0.082 C 
BRANCH  16  17
ATOM     17  C   LIG    1        3.144  -0.747  -0.341  0.00  0.00    +0.232 C 
BRANCH  17  18
ATOM     18  O   LIG    1        4.036   0.310  -0.692  0.00  0.00    -0.492 OA
BRANCH  18  19
ATOM     19  C   LIG    1        4.933   0.758   0.236  0.00  0.00    +0.122 A 
ATOM     20  C   LIG    1        5.041   0.331   1.559  0.00  0.00    +0.065 A 
ATOM     21  C   LIG    1        6.013   0.892   2.391  0.00  0.00    +0.044 A 
ATOM     22 CL   LIG    1        6.144   0.360   4.024  0.00  0.00    -0.083 Cl
ATOM     23  C   LIG    1        6.878   1.877   1.919  0.00  0.00    +0.020 A 
ATOM     24  C   LIG    1        6.771   2.308   0.599  0.00  0.00    +0.005 A 
ATOM     25  C   LIG    1        5.801   1.750  -0.235  0.00  0.00    +0.046 A 
ENDBRANCH  18  19
ENDBRANCH  17  18
ENDBRANCH  16  17
ENDBRANCH  15  16
ENDBRANCH  14  15
ENDBRANCH   6  14
TORSDOF 10