REMARK  Name = BDB029830
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.953   0.403  -0.224  0.00  0.00    -0.228 N 
ATOM      2  H   LIG    1       -0.571  -0.388   0.303  0.00  0.00    +0.171 HD
ATOM      3  C   LIG    1       -2.315   0.635  -0.277  0.00  0.00    +0.262 C 
ATOM      4  O   LIG    1       -2.767   1.730  -0.612  0.00  0.00    -0.269 OA
ENDROOT
BRANCH   3   5
ATOM      5  C   LIG    1       -3.228  -0.478   0.092  0.00  0.00    +0.075 A 
ATOM      6  C   LIG    1       -2.765  -1.708   0.557  0.00  0.00    +0.154 A 
ATOM      7  F   LIG    1       -1.447  -1.925   0.697  0.00  0.00    -0.203 F 
ATOM      8  C   LIG    1       -3.666  -2.718   0.889  0.00  0.00    +0.077 A 
ATOM      9 CL   LIG    1       -3.096  -4.238   1.465  0.00  0.00    -0.081 Cl
ATOM     10  C   LIG    1       -5.039  -2.507   0.759  0.00  0.00    +0.033 A 
ATOM     11  C   LIG    1       -5.530  -1.278   0.297  0.00  0.00    +0.004 A 
ATOM     12  C   LIG    1       -4.613  -0.269  -0.034  0.00  0.00    +0.026 A 
BRANCH  11  13
ATOM     13  C   LIG    1       -6.967  -1.088   0.175  0.00  0.00    +0.089 A 
ATOM     14  N   LIG    1       -7.877  -2.082   0.465  0.00  0.00    -0.236 NA
ATOM     15  C   LIG    1       -9.061  -1.555   0.244  0.00  0.00    +0.199 A 
ATOM     16  N   LIG    1       -8.955  -0.262  -0.175  0.00  0.00    -0.339 N 
ATOM     17  C   LIG    1      -10.055   0.607  -0.505  0.00  0.00    +0.150 C 
ATOM     18  C   LIG    1       -7.626   0.056  -0.226  0.00  0.00    +0.115 A 
ENDBRANCH  11  13
ENDBRANCH   3   5
BRANCH   1  19
ATOM     19  N   LIG    1       -0.063   1.649  -0.282  0.00  0.00    -0.112 NA
ATOM     20  H   LIG    1       -0.640   2.478  -0.504  0.00  0.00    +0.171 HD
BRANCH  19  21
ATOM     21  S   LIG    1        0.815   1.936   1.147  0.00  0.00    +0.045 S 
ATOM     22  O   LIG    1        0.149   3.015   1.840  0.00  0.00    -0.157 OA
ATOM     23  O   LIG    1        1.046   0.656   1.782  0.00  0.00    -0.157 OA
BRANCH  21  24
ATOM     24  C   LIG    1        2.365   2.550   0.503  0.00  0.00    +0.191 C 
BRANCH  24  27
ATOM     25  N   LIG    1        4.388  -0.157  -1.052  0.00  0.00    -0.181 NA
ATOM     26  C   LIG    1        3.325   0.242  -0.123  0.00  0.00    +0.114 C 
ATOM     27  C   LIG    1        2.991   1.670  -0.570  0.00  0.00    +0.029 C 
ATOM     28  C   LIG    1        4.357   2.197  -1.016  0.00  0.00    +0.023 C 
ATOM     29  C   LIG    1        4.991   1.002  -1.718  0.00  0.00    +0.109 C 
BRANCH  25  30
ATOM     30  S   LIG    1        5.141  -1.634  -0.958  0.00  0.00    +0.032 S 
ATOM     31  O   LIG    1        4.098  -2.628  -0.806  0.00  0.00    -0.158 OA
ATOM     32  O   LIG    1        6.089  -1.723  -2.047  0.00  0.00    -0.158 OA
BRANCH  30  33
ATOM     33  C   LIG    1        6.035  -1.593   0.594  0.00  0.00    +0.185 C 
BRANCH  33  35
ATOM     34  C   LIG    1        8.259  -0.524  -0.055  0.00  0.00    +0.005 C 
ATOM     35  C   LIG    1        7.003  -0.436   0.797  0.00  0.00    +0.021 C 
ENDBRANCH  33  35
ENDBRANCH  30  33
ENDBRANCH  25  30
ENDBRANCH  24  27
ENDBRANCH  21  24
ENDBRANCH  19  21
ENDBRANCH   1  19
TORSDOF 9