REMARK  Name = BDB059227
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        0.376   1.293  -1.340  0.00  0.00    -0.269 OA
ATOM      2  C   LIG    1       -0.077   0.152  -1.398  0.00  0.00    +0.259 C 
ATOM      3  N   LIG    1        0.613  -0.878  -2.010  0.00  0.00    -0.228 N 
ATOM      4  H   LIG    1        0.370  -1.859  -1.887  0.00  0.00    +0.171 HD
ENDROOT
BRANCH   2   5
ATOM      5  C   LIG    1       -1.400  -0.178  -0.811  0.00  0.00    +0.041 A 
ATOM      6  C   LIG    1       -2.369   0.834  -0.764  0.00  0.00    +0.059 A 
ATOM      7  C   LIG    1       -3.634   0.590  -0.220  0.00  0.00    +0.131 A 
ATOM      8  C   LIG    1       -3.922  -0.677   0.289  0.00  0.00    +0.046 A 
ATOM      9  C   LIG    1       -2.952  -1.685   0.263  0.00  0.00    +0.004 A 
ATOM     10  C   LIG    1       -1.691  -1.439  -0.282  0.00  0.00    +0.013 A 
BRANCH   7  11
ATOM     11  O   LIG    1       -4.477   1.664  -0.250  0.00  0.00    -0.406 OA
BRANCH  11  12
ATOM     12  C   LIG    1       -5.777   1.503   0.292  0.00  0.00    +0.575 C 
ATOM     13  F   LIG    1       -5.722   1.185   1.603  0.00  0.00    -0.133 F 
ATOM     14  F   LIG    1       -6.446   2.671   0.170  0.00  0.00    -0.133 F 
ATOM     15  F   LIG    1       -6.467   0.552  -0.374  0.00  0.00    -0.133 F 
ENDBRANCH  11  12
ENDBRANCH   7  11
ENDBRANCH   2   5
BRANCH   3  16
ATOM     16  N   LIG    1        2.086  -0.610  -2.310  0.00  0.00    -0.108 NA
ATOM     17  H   LIG    1        2.288   0.400  -2.284  0.00  0.00    +0.172 HD
BRANCH  16  18
ATOM     18  S   LIG    1        3.176  -1.494  -1.325  0.00  0.00    +0.076 S 
ATOM     19  O   LIG    1        4.423  -1.591  -2.055  0.00  0.00    -0.152 OA
ATOM     20  O   LIG    1        2.487  -2.681  -0.861  0.00  0.00    -0.152 OA
BRANCH  18  21
ATOM     21  C   LIG    1        3.434  -0.400   0.031  0.00  0.00    +0.142 A 
ATOM     22  C   LIG    1        2.498  -0.343   1.056  0.00  0.00    +0.150 A 
ATOM     23  F   LIG    1        1.377  -1.076   1.022  0.00  0.00    -0.203 F 
ATOM     24  C   LIG    1        2.699   0.504   2.142  0.00  0.00    +0.040 A 
ATOM     25  C   LIG    1        3.851   1.290   2.207  0.00  0.00    +0.003 A 
ATOM     26  C   LIG    1        4.800   1.225   1.185  0.00  0.00    +0.002 A 
ATOM     27  C   LIG    1        4.597   0.377   0.095  0.00  0.00    +0.031 A 
ENDBRANCH  18  21
ENDBRANCH  16  18
ENDBRANCH   3  16
TORSDOF 6