REMARK  Name = BDB019807
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        0.551   0.683   1.499  0.00  0.00    -0.269 OA
ATOM      2  C   LIG    1        0.391  -0.185   0.643  0.00  0.00    +0.262 C 
ATOM      3  N   LIG    1       -0.864  -0.682   0.342  0.00  0.00    -0.228 N 
ATOM      4  H   LIG    1       -1.033  -1.153  -0.551  0.00  0.00    +0.171 HD
ENDROOT
BRANCH   2   5
ATOM      5  C   LIG    1        1.553  -0.723  -0.112  0.00  0.00    +0.075 A 
ATOM      6  C   LIG    1        1.420  -1.668  -1.127  0.00  0.00    +0.154 A 
ATOM      7  F   LIG    1        0.206  -2.132  -1.467  0.00  0.00    -0.203 F 
ATOM      8  C   LIG    1        2.546  -2.134  -1.805  0.00  0.00    +0.077 A 
ATOM      9 CL   LIG    1        2.383  -3.299  -3.064  0.00  0.00    -0.081 Cl
ATOM     10  C   LIG    1        3.817  -1.661  -1.475  0.00  0.00    +0.032 A 
ATOM     11  C   LIG    1        3.978  -0.713  -0.455  0.00  0.00    -0.009 A 
ATOM     12  C   LIG    1        2.835  -0.248   0.217  0.00  0.00    +0.025 A 
BRANCH  11  13
ATOM     13  C   LIG    1        5.302  -0.189  -0.092  0.00  0.00    +0.019 A 
ATOM     14  S   LIG    1        6.643  -1.250   0.083  0.00  0.00    -0.097 S 
ATOM     15  C   LIG    1        7.695   0.030   0.500  0.00  0.00    +0.046 A 
ATOM     16  C   LIG    1        7.048   1.244   0.517  0.00  0.00    +0.008 A 
ATOM     17  C   LIG    1        5.669   1.117   0.181  0.00  0.00    +0.016 A 
ENDBRANCH  11  13
ENDBRANCH   2   5
BRANCH   3  18
ATOM     18  N   LIG    1       -2.047   0.153   0.863  0.00  0.00    -0.108 NA
ATOM     19  H   LIG    1       -1.707   0.843   1.553  0.00  0.00    +0.172 HD
BRANCH  18  20
ATOM     20  S   LIG    1       -2.873   1.012  -0.371  0.00  0.00    +0.074 S 
ATOM     21  O   LIG    1       -2.545   2.410  -0.204  0.00  0.00    -0.152 OA
ATOM     22  O   LIG    1       -2.635   0.313  -1.618  0.00  0.00    -0.152 OA
BRANCH  20  23
ATOM     23  C   LIG    1       -4.560   0.756   0.104  0.00  0.00    +0.107 A 
ATOM     24  C   LIG    1       -5.194  -0.442  -0.242  0.00  0.00    +0.028 A 
ATOM     25  C   LIG    1       -6.529  -0.638   0.112  0.00  0.00    +0.002 A 
ATOM     26  C   LIG    1       -7.223   0.360   0.799  0.00  0.00    +0.000 A 
ATOM     27  C   LIG    1       -6.589   1.558   1.131  0.00  0.00    +0.002 A 
ATOM     28  C   LIG    1       -5.254   1.763   0.781  0.00  0.00    +0.028 A 
ENDBRANCH  20  23
ENDBRANCH  18  20
ENDBRANCH   3  18
TORSDOF 5