REMARK  Name = BDB029767
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -0.007  -0.804  -1.796  0.00  0.00    -0.269 OA
ATOM      2  C   LIG    1       -0.619  -0.142  -0.958  0.00  0.00    +0.262 C 
ATOM      3  N   LIG    1        0.025   0.779  -0.152  0.00  0.00    -0.228 N 
ATOM      4  H   LIG    1       -0.405   1.113   0.715  0.00  0.00    +0.171 HD
ENDROOT
BRANCH   2   5
ATOM      5  C   LIG    1       -2.084  -0.320  -0.782  0.00  0.00    +0.075 A 
ATOM      6  C   LIG    1       -2.807   0.331   0.216  0.00  0.00    +0.154 A 
ATOM      7  F   LIG    1       -2.185   1.158   1.073  0.00  0.00    -0.203 F 
ATOM      8  C   LIG    1       -4.181   0.128   0.335  0.00  0.00    +0.077 A 
ATOM      9 CL   LIG    1       -5.076   0.928   1.570  0.00  0.00    -0.081 Cl
ATOM     10  C   LIG    1       -4.844  -0.729  -0.544  0.00  0.00    +0.033 A 
ATOM     11  C   LIG    1       -4.139  -1.398  -1.556  0.00  0.00    +0.004 A 
ATOM     12  C   LIG    1       -2.756  -1.186  -1.663  0.00  0.00    +0.026 A 
BRANCH  11  13
ATOM     13  C   LIG    1       -4.846  -2.291  -2.482  0.00  0.00    +0.093 A 
ATOM     14  N   LIG    1       -6.188  -2.313  -2.542  0.00  0.00    -0.174 NA
ATOM     15  N   LIG    1       -6.476  -3.224  -3.482  0.00  0.00    -0.284 N 
ATOM     16  H   LIG    1       -7.452  -3.404  -3.695  0.00  0.00    +0.188 HD
ATOM     17  C   LIG    1       -5.375  -3.797  -4.038  0.00  0.00    +0.105 A 
ATOM     18  C   LIG    1       -4.299  -3.221  -3.409  0.00  0.00    +0.049 A 
ENDBRANCH  11  13
ENDBRANCH   2   5
BRANCH   3  19
ATOM     19  N   LIG    1        1.557   0.676  -0.122  0.00  0.00    -0.112 NA
ATOM     20  H   LIG    1        1.873   0.010  -0.847  0.00  0.00    +0.171 HD
BRANCH  19  21
ATOM     21  S   LIG    1        2.176   0.198   1.395  0.00  0.00    +0.050 S 
ATOM     22  O   LIG    1        1.286   0.735   2.404  0.00  0.00    -0.157 OA
ATOM     23  O   LIG    1        2.438  -1.220   1.296  0.00  0.00    -0.157 OA
BRANCH  21  24
ATOM     24  C   LIG    1        3.736   1.072   1.441  0.00  0.00    +0.175 C 
ATOM     25  C   LIG    1        3.530   2.575   1.375  0.00  0.00    +0.187 C 
ATOM     26  O   LIG    1        4.769   3.289   1.290  0.00  0.00    -0.378 OA
ATOM     27  C   LIG    1        5.861   2.719   2.013  0.00  0.00    +0.160 C 
ATOM     28  C   LIG    1        5.417   1.849   3.179  0.00  0.00    +0.030 C 
ATOM     29  C   LIG    1        4.538   0.696   2.694  0.00  0.00    +0.032 C 
ENDBRANCH  21  24
ENDBRANCH  19  21
ENDBRANCH   3  19
TORSDOF 5