REMARK  Name = BDB029806
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -3.454   2.006   0.405  0.00  0.00    +0.002 A 
ATOM      2  C   LIG    1       -2.314   1.487  -0.220  0.00  0.00    +0.026 A 
ATOM      3  C   LIG    1       -1.035   1.716   0.315  0.00  0.00    +0.075 A 
ATOM      4  C   LIG    1       -0.911   2.483   1.473  0.00  0.00    +0.154 A 
ATOM      5  F   LIG    1        0.299   2.711   2.008  0.00  0.00    -0.203 F 
ATOM      6  C   LIG    1       -2.044   3.015   2.090  0.00  0.00    +0.077 A 
ATOM      7 CL   LIG    1       -1.893   3.964   3.519  0.00  0.00    -0.081 Cl
ATOM      8  C   LIG    1       -3.312   2.780   1.560  0.00  0.00    +0.033 A 
ENDROOT
BRANCH   1  14
ATOM      9  N   LIG    1       -5.467   0.567  -0.127  0.00  0.00    -0.328 N 
ATOM     10  C   LIG    1       -6.696   0.777  -0.721  0.00  0.00    +0.107 A 
ATOM     11  C   LIG    1       -7.744  -0.265  -0.870  0.00  0.00    +0.086 C 
ATOM     12  N   LIG    1       -6.811   2.026  -1.124  0.00  0.00    -0.240 NA
ATOM     13  C   LIG    1       -5.642   2.640  -0.775  0.00  0.00    +0.139 A 
ATOM     14  C   LIG    1       -4.777   1.764  -0.149  0.00  0.00    +0.069 A 
BRANCH   9  16
ATOM     15  C   LIG    1       -4.411  -1.642  -0.513  0.00  0.00    +0.027 C 
ATOM     16  C   LIG    1       -5.026  -0.676   0.484  0.00  0.00    +0.120 C 
ENDBRANCH   9  16
ENDBRANCH   1  14
BRANCH   3  17
ATOM     17  C   LIG    1        0.132   1.116  -0.382  0.00  0.00    +0.262 C 
ATOM     18  N   LIG    1        1.394   1.374   0.124  0.00  0.00    -0.228 N 
ATOM     19  H   LIG    1        1.513   1.708   1.085  0.00  0.00    +0.171 HD
ATOM     20  O   LIG    1       -0.032   0.399  -1.368  0.00  0.00    -0.269 OA
BRANCH  18  21
ATOM     21  N   LIG    1        2.504   0.432  -0.366  0.00  0.00    -0.112 NA
ATOM     22  H   LIG    1        2.163  -0.114  -1.175  0.00  0.00    +0.171 HD
BRANCH  21  23
ATOM     23  S   LIG    1        3.050  -0.651   0.842  0.00  0.00    +0.047 S 
ATOM     24  O   LIG    1        2.377  -1.909   0.607  0.00  0.00    -0.157 OA
ATOM     25  O   LIG    1        2.925   0.048   2.105  0.00  0.00    -0.157 OA
BRANCH  23  26
ATOM     26  C   LIG    1        4.794  -0.803   0.415  0.00  0.00    +0.149 C 
ATOM     27  C   LIG    1        4.993  -1.244  -1.043  0.00  0.00    +0.028 C 
ATOM     28  C   LIG    1        6.305  -1.998  -1.278  0.00  0.00    +0.002 C 
ATOM     29  C   LIG    1        7.397  -1.550  -0.316  0.00  0.00    +0.000 C 
ATOM     30  C   LIG    1        7.007  -1.800   1.141  0.00  0.00    +0.002 C 
ATOM     31  C   LIG    1        5.498  -1.750   1.388  0.00  0.00    +0.028 C 
ENDBRANCH  23  26
ENDBRANCH  21  23
ENDBRANCH  18  21
ENDBRANCH   3  17
TORSDOF 6