REMARK  Name = BDB029764
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        1.866   1.652   0.940  0.00  0.00    -0.269 OA
ATOM      2  C   LIG    1        1.638   0.561   0.421  0.00  0.00    +0.262 C 
ATOM      3  N   LIG    1        0.343   0.105   0.245  0.00  0.00    -0.228 N 
ATOM      4  H   LIG    1        0.134  -0.635  -0.430  0.00  0.00    +0.171 HD
ENDROOT
BRANCH   2   5
ATOM      5  C   LIG    1        2.749  -0.307  -0.049  0.00  0.00    +0.075 A 
ATOM      6  C   LIG    1        2.532  -1.524  -0.694  0.00  0.00    +0.154 A 
ATOM      7  F   LIG    1        1.281  -1.959  -0.919  0.00  0.00    -0.203 F 
ATOM      8  C   LIG    1        3.611  -2.300  -1.114  0.00  0.00    +0.077 A 
ATOM      9 CL   LIG    1        3.342  -3.806  -1.908  0.00  0.00    -0.081 Cl
ATOM     10  C   LIG    1        4.922  -1.871  -0.898  0.00  0.00    +0.033 A 
ATOM     11  C   LIG    1        5.167  -0.652  -0.255  0.00  0.00    +0.004 A 
ATOM     12  C   LIG    1        4.070   0.120   0.166  0.00  0.00    +0.026 A 
BRANCH  11  13
ATOM     13  C   LIG    1        6.516  -0.169  -0.007  0.00  0.00    +0.089 A 
ATOM     14  N   LIG    1        6.781   0.955   0.742  0.00  0.00    -0.236 NA
ATOM     15  C   LIG    1        8.087   1.085   0.745  0.00  0.00    +0.197 A 
ATOM     16  N   LIG    1        8.686   0.091   0.027  0.00  0.00    -0.350 N 
ATOM     17  H   LIG    1        9.680  -0.018  -0.117  0.00  0.00    +0.166 HD
ATOM     18  C   LIG    1        7.696  -0.720  -0.462  0.00  0.00    +0.112 A 
ENDBRANCH  11  13
ENDBRANCH   2   5
BRANCH   3  19
ATOM     19  N   LIG    1       -0.759   1.158   0.411  0.00  0.00    -0.112 NA
ATOM     20  H   LIG    1       -0.350   2.039   0.765  0.00  0.00    +0.171 HD
BRANCH  19  21
ATOM     21  S   LIG    1       -1.623   1.474  -1.025  0.00  0.00    +0.045 S 
ATOM     22  O   LIG    1       -1.582   0.267  -1.826  0.00  0.00    -0.157 OA
ATOM     23  O   LIG    1       -1.117   2.728  -1.539  0.00  0.00    -0.157 OA
BRANCH  21  24
ATOM     24  C   LIG    1       -3.280   1.747  -0.402  0.00  0.00    +0.190 C 
BRANCH  24  25
ATOM     25  C   LIG    1       -3.839   0.629   0.494  0.00  0.00    +0.012 C 
ATOM     26  C   LIG    1       -5.141   1.097   1.181  0.00  0.00    +0.005 C 
ATOM     27  C   LIG    1       -6.385   0.688   0.402  0.00  0.00    +0.000 C 
ATOM     28  C   LIG    1       -6.500  -0.831   0.278  0.00  0.00    +0.000 C 
ATOM     29  C   LIG    1       -5.150  -1.546   0.315  0.00  0.00    +0.000 C 
ATOM     30  C   LIG    1       -4.043  -0.686  -0.285  0.00  0.00    +0.005 C 
ENDBRANCH  24  25
ENDBRANCH  21  24
ENDBRANCH  19  21
ENDBRANCH   3  19
TORSDOF 6