REMARK  Name = BDB029785
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -4.303   0.512   0.209  0.00  0.00    +0.003 A 
ATOM      2  C   LIG    1       -3.070   1.067   0.574  0.00  0.00    +0.026 A 
ATOM      3  C   LIG    1       -2.001   1.103  -0.336  0.00  0.00    +0.075 A 
ATOM      4  C   LIG    1       -2.186   0.588  -1.619  0.00  0.00    +0.154 A 
ATOM      5  F   LIG    1       -1.177   0.604  -2.507  0.00  0.00    -0.203 F 
ATOM      6  C   LIG    1       -3.416   0.045  -1.991  0.00  0.00    +0.077 A 
ATOM      7 CL   LIG    1       -3.646  -0.589  -3.576  0.00  0.00    -0.081 Cl
ATOM      8  C   LIG    1       -4.474   0.007  -1.083  0.00  0.00    +0.033 A 
ENDROOT
BRANCH   1  10
ATOM      9  N   LIG    1       -5.484  -0.323   2.276  0.00  0.00    -0.330 N 
ATOM     10  C   LIG    1       -5.409   0.477   1.155  0.00  0.00    +0.071 A 
ATOM     11  C   LIG    1       -6.611   1.173   1.156  0.00  0.00    +0.064 A 
ATOM     12  C   LIG    1       -7.100   2.191   0.197  0.00  0.00    +0.068 C 
ATOM     13  N   LIG    1       -7.384   0.816   2.235  0.00  0.00    -0.240 NA
ATOM     14  C   LIG    1       -6.682  -0.077   2.888  0.00  0.00    +0.200 A 
BRANCH   9  16
ATOM     15  C   LIG    1       -4.634  -2.630   2.068  0.00  0.00    +0.027 C 
ATOM     16  C   LIG    1       -4.507  -1.281   2.755  0.00  0.00    +0.120 C 
ENDBRANCH   9  16
ENDBRANCH   1  10
BRANCH   3  17
ATOM     17  C   LIG    1       -0.711   1.680   0.121  0.00  0.00    +0.262 C 
ATOM     18  N   LIG    1        0.331   1.743  -0.786  0.00  0.00    -0.228 N 
ATOM     19  H   LIG    1        0.321   1.164  -1.631  0.00  0.00    +0.171 HD
ATOM     20  O   LIG    1       -0.580   2.071   1.280  0.00  0.00    -0.269 OA
BRANCH  18  21
ATOM     21  N   LIG    1        1.726   1.949  -0.172  0.00  0.00    -0.112 NA
ATOM     22  H   LIG    1        1.629   2.223   0.820  0.00  0.00    +0.171 HD
BRANCH  21  23
ATOM     23  S   LIG    1        2.711   0.545  -0.261  0.00  0.00    +0.045 S 
ATOM     24  O   LIG    1        2.335  -0.137  -1.482  0.00  0.00    -0.157 OA
ATOM     25  O   LIG    1        2.608  -0.095   1.031  0.00  0.00    -0.157 OA
BRANCH  23  26
ATOM     26  C   LIG    1        4.319   1.311  -0.433  0.00  0.00    +0.190 C 
BRANCH  26  27
ATOM     27  C   LIG    1        5.499   0.353  -0.654  0.00  0.00    +0.012 C 
ATOM     28  C   LIG    1        5.573  -0.184  -2.096  0.00  0.00    +0.005 C 
ATOM     29  C   LIG    1        6.380  -1.480  -2.224  0.00  0.00    +0.000 C 
ATOM     30  C   LIG    1        7.478  -1.576  -1.174  0.00  0.00    +0.000 C 
ATOM     31  C   LIG    1        6.912  -1.550   0.246  0.00  0.00    +0.000 C 
ATOM     32  C   LIG    1        5.590  -0.784   0.367  0.00  0.00    +0.005 C 
ENDBRANCH  26  27
ENDBRANCH  23  26
ENDBRANCH  21  23
ENDBRANCH  18  21
ENDBRANCH   3  17
TORSDOF 7