REMARK  Name = BDB029790
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.846   0.668   0.216  0.00  0.00    +0.262 C 
ATOM      2  N   LIG    1        0.184   1.462  -0.255  0.00  0.00    -0.228 N 
ATOM      3  H   LIG    1        0.077   1.979  -1.133  0.00  0.00    +0.171 HD
ATOM      4  O   LIG    1       -0.644  -0.235   1.028  0.00  0.00    -0.269 OA
ENDROOT
BRANCH   1   7
ATOM      5  C   LIG    1       -4.579   0.314  -0.257  0.00  0.00    +0.003 A 
ATOM      6  C   LIG    1       -3.268   0.139   0.206  0.00  0.00    +0.026 A 
ATOM      7  C   LIG    1       -2.215   0.918  -0.303  0.00  0.00    +0.075 A 
ATOM      8  C   LIG    1       -2.491   1.882  -1.272  0.00  0.00    +0.154 A 
ATOM      9  F   LIG    1       -1.502   2.636  -1.778  0.00  0.00    -0.203 F 
ATOM     10  C   LIG    1       -3.796   2.067  -1.729  0.00  0.00    +0.077 A 
ATOM     11 CL   LIG    1       -4.139   3.259  -2.925  0.00  0.00    -0.081 Cl
ATOM     12  C   LIG    1       -4.838   1.288  -1.226  0.00  0.00    +0.033 A 
BRANCH   5  15
ATOM     13  C   LIG    1       -7.291   1.228   1.334  0.00  0.00    +0.068 C 
ATOM     14  C   LIG    1       -6.829  -0.124   0.943  0.00  0.00    +0.064 A 
ATOM     15  C   LIG    1       -5.668  -0.496   0.275  0.00  0.00    +0.071 A 
ATOM     16  N   LIG    1       -5.760  -1.870   0.190  0.00  0.00    -0.333 N 
ATOM     17  C   LIG    1       -4.835  -2.771  -0.453  0.00  0.00    +0.150 C 
ATOM     18  C   LIG    1       -6.922  -2.255   0.794  0.00  0.00    +0.199 A 
ATOM     19  N   LIG    1       -7.590  -1.226   1.255  0.00  0.00    -0.240 NA
ENDBRANCH   5  15
ENDBRANCH   1   7
BRANCH   2  20
ATOM     20  N   LIG    1        1.601   0.915  -0.008  0.00  0.00    -0.112 NA
ATOM     21  H   LIG    1        1.554   0.134   0.666  0.00  0.00    +0.171 HD
BRANCH  20  22
ATOM     22  S   LIG    1        2.374   0.374  -1.434  0.00  0.00    +0.045 S 
ATOM     23  O   LIG    1        2.326  -1.070  -1.419  0.00  0.00    -0.157 OA
ATOM     24  O   LIG    1        1.791   1.135  -2.522  0.00  0.00    -0.157 OA
BRANCH  22  25
ATOM     25  C   LIG    1        4.052   0.944  -1.174  0.00  0.00    +0.190 C 
BRANCH  25  26
ATOM     26  C   LIG    1        4.965  -0.019  -0.405  0.00  0.00    +0.012 C 
ATOM     27  C   LIG    1        6.431   0.439  -0.564  0.00  0.00    +0.005 C 
ATOM     28  C   LIG    1        7.367  -0.056   0.541  0.00  0.00    +0.000 C 
ATOM     29  C   LIG    1        6.872  -1.347   1.171  0.00  0.00    +0.000 C 
ATOM     30  C   LIG    1        5.494  -1.168   1.803  0.00  0.00    +0.000 C 
ATOM     31  C   LIG    1        4.609  -0.146   1.080  0.00  0.00    +0.005 C 
ENDBRANCH  25  26
ENDBRANCH  22  25
ENDBRANCH  20  22
ENDBRANCH   2  20
TORSDOF 6