REMARK  Name = BDB059813
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -1.715   1.153  -1.385  0.00  0.00    -0.198 N 
ATOM      2  H   LIG    1       -2.087   1.456  -2.283  0.00  0.00    +0.175 HD
ENDROOT
BRANCH   1   3
ATOM      3  C   LIG    1       -0.347   0.962  -1.388  0.00  0.00    +0.156 A 
ATOM      4  N   LIG    1        0.294   0.909  -2.592  0.00  0.00    -0.219 NA
ATOM      5  C   LIG    1        1.564   0.738  -2.301  0.00  0.00    +0.206 A 
ATOM      6  N   LIG    1        1.789   0.646  -0.943  0.00  0.00    -0.303 N 
ATOM      7  C   LIG    1        0.557   0.815  -0.363  0.00  0.00    +0.137 A 
BRANCH   6   8
ATOM      8  C   LIG    1        3.055   0.482  -0.307  0.00  0.00    +0.059 A 
ATOM      9  C   LIG    1        3.227  -0.171   0.934  0.00  0.00    +0.079 A 
ATOM     10  C   LIG    1        4.524  -0.193   1.501  0.00  0.00    +0.014 A 
ATOM     11  C   LIG    1        5.620   0.369   0.849  0.00  0.00    +0.001 A 
ATOM     12  C   LIG    1        5.448   0.969  -0.390  0.00  0.00    +0.002 A 
ATOM     13  C   LIG    1        4.179   1.025  -0.966  0.00  0.00    +0.027 A 
BRANCH   9  14
ATOM     14  C   LIG    1        2.149  -0.923   1.684  0.00  0.00    +0.419 C 
ATOM     15  F   LIG    1        1.387  -0.118   2.470  0.00  0.00    -0.166 F 
ATOM     16  F   LIG    1        1.295  -1.611   0.878  0.00  0.00    -0.166 F 
ATOM     17  F   LIG    1        2.656  -1.869   2.531  0.00  0.00    -0.166 F 
ENDBRANCH   9  14
ENDBRANCH   6   8
ENDBRANCH   1   3
BRANCH   1  19
ATOM     18  O   LIG    1       -1.831   2.032   1.052  0.00  0.00    -0.150 OA
ATOM     19  S   LIG    1       -2.637   1.642  -0.084  0.00  0.00    +0.077 S 
ATOM     20  O   LIG    1       -3.603   2.573  -0.639  0.00  0.00    -0.150 OA
BRANCH  19  21
ATOM     21  C   LIG    1       -3.536   0.169   0.340  0.00  0.00    +0.152 A 
ATOM     22  C   LIG    1       -2.898  -0.943   0.888  0.00  0.00    +0.162 A 
ATOM     23  C   LIG    1       -3.651  -2.078   1.215  0.00  0.00    +0.085 A 
ATOM     24 CL   LIG    1       -2.880  -3.470   1.887  0.00  0.00    -0.080 Cl
ATOM     25  C   LIG    1       -5.029  -2.107   1.005  0.00  0.00    +0.039 A 
ATOM     26  C   LIG    1       -5.658  -0.990   0.464  0.00  0.00    +0.021 A 
ATOM     27 BR   LIG    1       -7.526  -1.016   0.178  0.00  0.00    -0.050 Br
ATOM     28  C   LIG    1       -4.924   0.148   0.132  0.00  0.00    +0.048 A 
BRANCH  22  29
ATOM     29  O   LIG    1       -1.550  -0.939   1.101  0.00  0.00    -0.503 OA
ATOM     30  H   LIG    1       -1.287  -1.803   1.472  0.00  0.00    +0.292 HD
ENDBRANCH  22  29
ENDBRANCH  19  21
ENDBRANCH   1  19
TORSDOF 6