REMARK  Name = BDB059580
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.437  -0.573   0.599  0.00  0.00    +0.115 A 
ATOM      2  C   LIG    1       -2.914   0.693   0.246  0.00  0.00    +0.143 A 
ATOM      3  F   LIG    1       -4.217   0.982   0.395  0.00  0.00    -0.204 F 
ATOM      4  C   LIG    1       -2.074   1.680  -0.306  0.00  0.00    -0.006 A 
ATOM      5  C   LIG    1       -0.715   1.356  -0.471  0.00  0.00    +0.035 A 
ATOM      6  C   LIG    1       -0.227   0.098  -0.117  0.00  0.00    +0.091 A 
ATOM      7  C   LIG    1       -1.083  -0.868   0.421  0.00  0.00    +0.154 A 
ENDROOT
BRANCH   1  11
ATOM      8  C   LIG    1       -4.191  -3.864   1.069  0.00  0.00    +0.128 C 
ATOM      9  N   LIG    1       -3.240  -2.848   0.681  0.00  0.00    -0.314 N 
ATOM     10  H   LIG    1       -2.773  -2.970  -0.211  0.00  0.00    +0.149 HD
ATOM     11  C   LIG    1       -3.377  -1.559   1.167  0.00  0.00    +0.250 C 
ATOM     12  O   LIG    1       -4.183  -1.237   2.028  0.00  0.00    -0.270 OA
ENDBRANCH   1  11
BRANCH   4  13
ATOM     13  C   LIG    1       -2.599   3.047  -0.676  0.00  0.00    +0.022 C 
ATOM     14  C   LIG    1       -2.311   3.635  -2.039  0.00  0.00    +0.009 C 
ATOM     15  C   LIG    1       -3.699   3.182  -1.704  0.00  0.00    +0.009 C 
ENDBRANCH   4  13
BRANCH   6  16
ATOM     16  N   LIG    1        1.171  -0.220  -0.256  0.00  0.00    -0.213 N 
ATOM     17  H   LIG    1        1.269  -1.238  -0.146  0.00  0.00    +0.174 HD
BRANCH  16  18
ATOM     18  S   LIG    1        2.164   0.511   0.919  0.00  0.00    +0.076 S 
ATOM     19  O   LIG    1        2.040   1.949   0.847  0.00  0.00    -0.150 OA
ATOM     20  O   LIG    1        1.980  -0.211   2.162  0.00  0.00    -0.150 OA
BRANCH  18  21
ATOM     21  C   LIG    1        3.768   0.084   0.306  0.00  0.00    +0.152 A 
ATOM     22  C   LIG    1        4.511  -0.962   0.864  0.00  0.00    +0.162 A 
ATOM     23  C   LIG    1        5.772  -1.254   0.323  0.00  0.00    +0.085 A 
ATOM     24 CL   LIG    1        6.740  -2.544   0.948  0.00  0.00    -0.080 Cl
ATOM     25  C   LIG    1        6.286  -0.507  -0.740  0.00  0.00    +0.039 A 
ATOM     26  C   LIG    1        5.537   0.540  -1.270  0.00  0.00    +0.021 A 
ATOM     27 BR   LIG    1        6.230   1.554  -2.707  0.00  0.00    -0.050 Br
ATOM     28  C   LIG    1        4.281   0.843  -0.755  0.00  0.00    +0.048 A 
BRANCH  22  29
ATOM     29  O   LIG    1        4.067  -1.734   1.904  0.00  0.00    -0.503 OA
ATOM     30  H   LIG    1        3.292  -1.328   2.351  0.00  0.00    +0.292 HD
ENDBRANCH  22  29
ENDBRANCH  18  21
ENDBRANCH  16  18
ENDBRANCH   6  16
BRANCH   7  31
ATOM     31  O   LIG    1       -0.517  -2.075   0.755  0.00  0.00    -0.504 OA
ATOM     32  H   LIG    1       -1.146  -2.575   1.315  0.00  0.00    +0.292 HD
ENDBRANCH   7  31
TORSDOF 7