REMARK  Name = BDB029924
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.446  -0.939   0.033  0.00  0.00    +0.262 C 
ATOM      2  N   LIG    1       -0.570  -1.397   0.853  0.00  0.00    -0.228 N 
ATOM      3  H   LIG    1       -0.429  -1.480   1.865  0.00  0.00    +0.171 HD
ATOM      4  O   LIG    1        0.210  -0.495  -1.090  0.00  0.00    -0.269 OA
ENDROOT
BRANCH   1   7
ATOM      5  C   LIG    1        4.220  -0.560   0.136  0.00  0.00    +0.004 A 
ATOM      6  C   LIG    1        2.877  -0.536  -0.283  0.00  0.00    +0.026 A 
ATOM      7  C   LIG    1        1.838  -0.987   0.551  0.00  0.00    +0.075 A 
ATOM      8  C   LIG    1        2.150  -1.461   1.824  0.00  0.00    +0.154 A 
ATOM      9  F   LIG    1        1.179  -1.893   2.645  0.00  0.00    -0.203 F 
ATOM     10  C   LIG    1        3.474  -1.484   2.257  0.00  0.00    +0.077 A 
ATOM     11 CL   LIG    1        3.864  -2.065   3.832  0.00  0.00    -0.081 Cl
ATOM     12  C   LIG    1        4.502  -1.037   1.424  0.00  0.00    +0.033 A 
BRANCH   5  17
ATOM     13  C   LIG    1        8.226   1.417  -1.388  0.00  0.00    +0.039 C 
ATOM     14  C   LIG    1        7.221   0.363  -1.818  0.00  0.00    +0.150 C 
ATOM     15  N   LIG    1        6.060   1.020  -2.468  0.00  0.00    -0.180 NA
ATOM     16  N   LIG    1        5.002   0.738  -1.839  0.00  0.00    -0.154 NA
ATOM     17  C   LIG    1        5.282  -0.071  -0.762  0.00  0.00    +0.091 C 
ATOM     18  C   LIG    1        6.587  -0.344  -0.676  0.00  0.00    +0.031 C 
ENDBRANCH   5  17
ENDBRANCH   1   7
BRANCH   2  19
ATOM     19  N   LIG    1       -1.990  -0.993   0.433  0.00  0.00    -0.112 NA
ATOM     20  H   LIG    1       -1.958  -0.554  -0.503  0.00  0.00    +0.171 HD
BRANCH  19  21
ATOM     21  S   LIG    1       -2.745   0.077   1.533  0.00  0.00    +0.045 S 
ATOM     22  O   LIG    1       -2.677   1.396   0.948  0.00  0.00    -0.157 OA
ATOM     23  O   LIG    1       -2.162  -0.200   2.832  0.00  0.00    -0.157 OA
BRANCH  21  24
ATOM     24  C   LIG    1       -4.427  -0.536   1.521  0.00  0.00    +0.190 C 
BRANCH  24  25
ATOM     25  C   LIG    1       -5.348  -0.050   0.399  0.00  0.00    +0.016 C 
ATOM     26  C   LIG    1       -4.815  -0.258  -1.020  0.00  0.00    +0.033 C 
ATOM     27  C   LIG    1       -5.869   0.130  -2.062  0.00  0.00    +0.160 C 
ATOM     28  O   LIG    1       -6.790   1.118  -1.597  0.00  0.00    -0.380 OA
ATOM     29  C   LIG    1       -6.184   2.071  -0.730  0.00  0.00    +0.160 C 
ATOM     30  C   LIG    1       -5.822   1.403   0.594  0.00  0.00    +0.033 C 
ENDBRANCH  24  25
ENDBRANCH  21  24
ENDBRANCH  19  21
ENDBRANCH   2  19
TORSDOF 6