REMARK  Name = BDB029926
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        1.245   1.330  -0.163  0.00  0.00    -0.228 N 
ATOM      2  H   LIG    1        1.218   2.009   0.602  0.00  0.00    +0.171 HD
ATOM      3  C   LIG    1        2.352   0.524  -0.363  0.00  0.00    +0.262 C 
ATOM      4  O   LIG    1        2.277  -0.510  -1.024  0.00  0.00    -0.269 OA
ENDROOT
BRANCH   3   5
ATOM      5  C   LIG    1        3.638   0.943   0.256  0.00  0.00    +0.075 A 
ATOM      6  C   LIG    1        3.748   2.068   1.071  0.00  0.00    +0.154 A 
ATOM      7  F   LIG    1        2.670   2.826   1.332  0.00  0.00    -0.203 F 
ATOM      8  C   LIG    1        4.978   2.416   1.627  0.00  0.00    +0.077 A 
ATOM      9 CL   LIG    1        5.116   3.809   2.633  0.00  0.00    -0.081 Cl
ATOM     10  C   LIG    1        6.114   1.644   1.379  0.00  0.00    +0.033 A 
ATOM     11  C   LIG    1        6.029   0.508   0.565  0.00  0.00    +0.004 A 
ATOM     12  C   LIG    1        4.783   0.168   0.009  0.00  0.00    +0.026 A 
BRANCH  11  13
ATOM     13  C   LIG    1        7.188  -0.323   0.277  0.00  0.00    +0.089 A 
ATOM     14  N   LIG    1        7.154  -1.363  -0.624  0.00  0.00    -0.236 NA
ATOM     15  C   LIG    1        8.362  -1.881  -0.619  0.00  0.00    +0.199 A 
ATOM     16  N   LIG    1        9.177  -1.218   0.250  0.00  0.00    -0.339 N 
ATOM     17  C   LIG    1       10.561  -1.525   0.503  0.00  0.00    +0.150 C 
ATOM     18  C   LIG    1        8.447  -0.220   0.833  0.00  0.00    +0.115 A 
ENDBRANCH  11  13
ENDBRANCH   3   5
BRANCH   1  19
ATOM     19  N   LIG    1       -0.108   0.695  -0.513  0.00  0.00    -0.112 NA
ATOM     20  H   LIG    1        0.051  -0.211  -0.986  0.00  0.00    +0.171 HD
BRANCH  19  21
ATOM     21  S   LIG    1       -1.119   0.458   0.841  0.00  0.00    +0.045 S 
ATOM     22  O   LIG    1       -1.014  -0.933   1.215  0.00  0.00    -0.157 OA
ATOM     23  O   LIG    1       -0.806   1.513   1.784  0.00  0.00    -0.157 OA
BRANCH  21  24
ATOM     24  C   LIG    1       -2.736   0.787   0.141  0.00  0.00    +0.190 C 
BRANCH  24  28
ATOM     25  C   LIG    1       -6.093  -0.714  -0.748  0.00  0.00    +0.073 C 
ATOM     26  C   LIG    1       -5.069  -1.415   0.151  0.00  0.00    +0.022 C 
ATOM     27  C   LIG    1       -3.696  -1.512  -0.513  0.00  0.00    +0.007 C 
ATOM     28  C   LIG    1       -3.153  -0.157  -1.001  0.00  0.00    +0.012 C 
ATOM     29  C   LIG    1       -4.206   0.518  -1.900  0.00  0.00    +0.007 C 
ATOM     30  C   LIG    1       -5.569   0.648  -1.222  0.00  0.00    +0.022 C 
BRANCH  25  33
ATOM     31  C   LIG    1       -9.739  -0.175   0.159  0.00  0.00    +0.109 C 
ATOM     32  C   LIG    1       -8.548  -0.418  -0.729  0.00  0.00    +0.210 C 
ATOM     33  N   LIG    1       -7.361  -0.567  -0.047  0.00  0.00    -0.313 N 
ATOM     34  H   LIG    1       -7.340  -0.322   0.934  0.00  0.00    +0.149 HD
ATOM     35  O   LIG    1       -8.645  -0.460  -1.951  0.00  0.00    -0.276 OA
ENDBRANCH  25  33
ENDBRANCH  24  28
ENDBRANCH  21  24
ENDBRANCH  19  21
ENDBRANCH   1  19
TORSDOF 7