REMARK  Name = BDB029886
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.151  -0.342   0.279  0.00  0.00    +0.260 C 
ATOM      2  N   LIG    1        0.044  -1.169   0.244  0.00  0.00    -0.228 N 
ATOM      3  H   LIG    1       -0.024  -1.989   0.853  0.00  0.00    +0.171 HD
ATOM      4  O   LIG    1        1.106   0.815  -0.140  0.00  0.00    -0.269 OA
ENDROOT
BRANCH   1   7
ATOM      5  C   LIG    1        4.865  -0.883   0.466  0.00  0.00    +0.004 A 
ATOM      6  C   LIG    1        3.589  -0.428   0.119  0.00  0.00    +0.024 A 
ATOM      7  C   LIG    1        2.435  -0.907   0.773  0.00  0.00    +0.058 A 
ATOM      8  C   LIG    1        2.562  -1.839   1.814  0.00  0.00    +0.071 A 
ATOM      9 CL   LIG    1        1.183  -2.389   2.710  0.00  0.00    -0.081 Cl
ATOM     10  C   LIG    1        3.843  -2.302   2.158  0.00  0.00    +0.061 A 
ATOM     11 CL   LIG    1        4.104  -3.463   3.418  0.00  0.00    -0.082 Cl
ATOM     12  C   LIG    1        4.977  -1.832   1.487  0.00  0.00    +0.031 A 
BRANCH   5  16
ATOM     13  C   LIG    1        8.095   1.618  -2.357  0.00  0.00    +0.150 C 
ATOM     14  N   LIG    1        7.486   0.690  -1.438  0.00  0.00    -0.339 N 
ATOM     15  C   LIG    1        6.161   0.627  -1.108  0.00  0.00    +0.115 A 
ATOM     16  C   LIG    1        6.067  -0.409  -0.201  0.00  0.00    +0.089 A 
ATOM     17  N   LIG    1        7.309  -0.963   0.017  0.00  0.00    -0.236 NA
ATOM     18  C   LIG    1        8.139  -0.282  -0.741  0.00  0.00    +0.199 A 
ENDBRANCH   5  16
ENDBRANCH   1   7
BRANCH   2  19
ATOM     19  N   LIG    1       -1.292  -0.477  -0.058  0.00  0.00    -0.112 NA
ATOM     20  H   LIG    1       -1.126   0.526  -0.247  0.00  0.00    +0.171 HD
BRANCH  19  21
ATOM     21  S   LIG    1       -2.446  -0.635   1.191  0.00  0.00    +0.045 S 
ATOM     22  O   LIG    1       -2.242  -1.946   1.776  0.00  0.00    -0.157 OA
ATOM     23  O   LIG    1       -2.366   0.565   1.991  0.00  0.00    -0.157 OA
BRANCH  21  24
ATOM     24  C   LIG    1       -3.977  -0.661   0.258  0.00  0.00    +0.190 C 
BRANCH  24  25
ATOM     25  C   LIG    1       -4.277   0.636  -0.513  0.00  0.00    +0.012 C 
ATOM     26  C   LIG    1       -5.165   0.347  -1.737  0.00  0.00    +0.005 C 
ATOM     27  C   LIG    1       -6.600  -0.009  -1.357  0.00  0.00    +0.000 C 
ATOM     28  C   LIG    1       -7.235   1.080  -0.499  0.00  0.00    +0.000 C 
ATOM     29  C   LIG    1       -6.390   1.398   0.730  0.00  0.00    +0.000 C 
ATOM     30  C   LIG    1       -4.941   1.718   0.359  0.00  0.00    +0.005 C 
ENDBRANCH  24  25
ENDBRANCH  21  24
ENDBRANCH  19  21
ENDBRANCH   2  19
TORSDOF 6