REMARK  Name = BDB029788
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.283  -1.119  -1.070  0.00  0.00    +0.262 C 
ATOM      2  N   LIG    1        0.083  -0.297  -0.016  0.00  0.00    -0.228 N 
ATOM      3  H   LIG    1       -0.430  -0.342   0.868  0.00  0.00    +0.171 HD
ATOM      4  O   LIG    1        0.503  -1.433  -1.957  0.00  0.00    -0.269 OA
ENDROOT
BRANCH   1   7
ATOM      5  C   LIG    1       -4.046  -1.268  -0.574  0.00  0.00    +0.068 A 
ATOM      6  C   LIG    1       -2.720  -0.799  -0.569  0.00  0.00    +0.043 A 
ATOM      7  C   LIG    1       -1.681  -1.607  -1.057  0.00  0.00    +0.077 A 
ATOM      8  C   LIG    1       -1.968  -2.875  -1.560  0.00  0.00    +0.154 A 
ATOM      9  F   LIG    1       -0.986  -3.670  -2.010  0.00  0.00    -0.203 F 
ATOM     10  C   LIG    1       -3.283  -3.339  -1.567  0.00  0.00    +0.079 A 
ATOM     11 CL   LIG    1       -3.651  -4.910  -2.174  0.00  0.00    -0.080 Cl
ATOM     12  C   LIG    1       -4.325  -2.545  -1.076  0.00  0.00    +0.050 A 
BRANCH   5  16
ATOM     13  C   LIG    1       -6.022   2.658   1.425  0.00  0.00    +0.067 C 
ATOM     14  C   LIG    1       -5.960   1.305   0.820  0.00  0.00    +0.060 A 
ATOM     15  N   LIG    1       -4.787   0.794   0.435  0.00  0.00    -0.172 NA
ATOM     16  N   LIG    1       -5.081  -0.431  -0.067  0.00  0.00    -0.240 N 
ATOM     17  C   LIG    1       -6.431  -0.689   0.006  0.00  0.00    +0.115 A 
ATOM     18  C   LIG    1       -7.022   0.414   0.573  0.00  0.00    +0.044 A 
ENDBRANCH   5  16
ENDBRANCH   1   7
BRANCH   2  19
ATOM     19  N   LIG    1        1.597  -0.087   0.154  0.00  0.00    -0.112 NA
ATOM     20  H   LIG    1        2.101  -0.507  -0.646  0.00  0.00    +0.171 HD
BRANCH  19  21
ATOM     21  S   LIG    1        2.207  -0.710   1.610  0.00  0.00    +0.045 S 
ATOM     22  O   LIG    1        1.105  -0.679   2.554  0.00  0.00    -0.157 OA
ATOM     23  O   LIG    1        2.880  -1.951   1.304  0.00  0.00    -0.157 OA
BRANCH  21  24
ATOM     24  C   LIG    1        3.404   0.518   2.113  0.00  0.00    +0.190 C 
BRANCH  24  25
ATOM     25  C   LIG    1        4.524   0.922   1.147  0.00  0.00    +0.016 C 
ATOM     26  C   LIG    1        5.255  -0.236   0.461  0.00  0.00    +0.033 C 
ATOM     27  C   LIG    1        6.389   0.293  -0.412  0.00  0.00    +0.160 C 
ATOM     28  O   LIG    1        5.888   1.227  -1.368  0.00  0.00    -0.380 OA
ATOM     29  C   LIG    1        5.297   2.371  -0.755  0.00  0.00    +0.160 C 
ATOM     30  C   LIG    1        4.101   1.965   0.102  0.00  0.00    +0.033 C 
ENDBRANCH  24  25
ENDBRANCH  21  24
ENDBRANCH  19  21
ENDBRANCH   2  19
TORSDOF 6