REMARK  Name = BDB029787
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.359  -1.075  -0.295  0.00  0.00    +0.004 A 
ATOM      2  C   LIG    1       -1.216  -0.281  -0.470  0.00  0.00    +0.026 A 
ATOM      3  C   LIG    1       -0.127  -0.740  -1.233  0.00  0.00    +0.075 A 
ATOM      4  C   LIG    1       -0.191  -2.003  -1.820  0.00  0.00    +0.154 A 
ATOM      5  F   LIG    1        0.841  -2.464  -2.546  0.00  0.00    -0.203 F 
ATOM      6  C   LIG    1       -1.322  -2.800  -1.653  0.00  0.00    +0.077 A 
ATOM      7 CL   LIG    1       -1.401  -4.360  -2.378  0.00  0.00    -0.081 Cl
ATOM      8  C   LIG    1       -2.399  -2.341  -0.897  0.00  0.00    +0.033 A 
ENDROOT
BRANCH   1  12
ATOM      9  C   LIG    1       -5.480   1.547   2.547  0.00  0.00    +0.150 C 
ATOM     10  N   LIG    1       -4.870   0.523   1.738  0.00  0.00    -0.339 N 
ATOM     11  C   LIG    1       -3.635   0.576   1.155  0.00  0.00    +0.115 A 
ATOM     12  C   LIG    1       -3.500  -0.626   0.490  0.00  0.00    +0.089 A 
ATOM     13  N   LIG    1       -4.630  -1.393   0.666  0.00  0.00    -0.236 NA
ATOM     14  C   LIG    1       -5.433  -0.677   1.419  0.00  0.00    +0.199 A 
ENDBRANCH   1  12
BRANCH   3  15
ATOM     15  C   LIG    1        1.054   0.151  -1.377  0.00  0.00    +0.262 C 
ATOM     16  N   LIG    1        2.107  -0.288  -2.151  0.00  0.00    -0.228 N 
ATOM     17  H   LIG    1        2.191  -1.242  -2.506  0.00  0.00    +0.171 HD
ATOM     18  O   LIG    1        1.090   1.239  -0.802  0.00  0.00    -0.269 OA
BRANCH  16  19
ATOM     19  N   LIG    1        3.350   0.559  -2.193  0.00  0.00    -0.112 NA
ATOM     20  H   LIG    1        3.172   1.570  -2.221  0.00  0.00    +0.171 HD
BRANCH  19  21
ATOM     21  S   LIG    1        4.577   0.160  -1.062  0.00  0.00    +0.052 S 
ATOM     22  O   LIG    1        5.693   1.021  -1.396  0.00  0.00    -0.156 OA
ATOM     23  O   LIG    1        4.724  -1.282  -1.138  0.00  0.00    -0.156 OA
BRANCH  21  24
ATOM     24  C   LIG    1        3.953   0.573   0.539  0.00  0.00    +0.200 C 
ATOM     25  C   LIG    1        5.003   0.570   1.643  0.00  0.00    +0.190 C 
ATOM     26  O   LIG    1        4.556   1.875   2.100  0.00  0.00    -0.376 OA
ATOM     27  C   LIG    1        3.832   2.056   0.853  0.00  0.00    +0.190 C 
ENDBRANCH  21  24
ENDBRANCH  19  21
ENDBRANCH  16  19
ENDBRANCH   3  15
TORSDOF 5