REMARK  Name = BDB017338
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.174  -2.272   2.212  0.00  0.00    +0.221 A 
ATOM      2  N   LIG    1        0.932  -2.631   1.838  0.00  0.00    -0.198 NA
ATOM      3  C   LIG    1        0.315  -3.634   2.496  0.00  0.00    +0.143 A 
ATOM      4  C   LIG    1        0.977  -4.333   3.501  0.00  0.00    +0.099 A 
ATOM      5 CL   LIG    1        0.268  -5.647   4.356  0.00  0.00    -0.078 Cl
ATOM      6  C   LIG    1        2.229  -3.881   3.838  0.00  0.00    +0.137 A 
ATOM      7  N   LIG    1        2.833  -2.840   3.233  0.00  0.00    -0.221 NA
ENDROOT
BRANCH   1   8
ATOM      8  N   LIG    1        2.854  -1.242   1.562  0.00  0.00    -0.281 N 
ATOM      9  H   LIG    1        3.652  -0.981   2.131  0.00  0.00    +0.155 HD
BRANCH   8  13
ATOM     10  N   LIG    1        3.030   0.388  -1.519  0.00  0.00    -0.267 N 
ATOM     11  N   LIG    1        2.221  -0.616  -1.916  0.00  0.00    -0.178 NA
ATOM     12  C   LIG    1        2.046  -1.331  -0.800  0.00  0.00    +0.157 A 
ATOM     13  C   LIG    1        2.744  -0.791   0.300  0.00  0.00    +0.071 A 
ATOM     14  C   LIG    1        3.389   0.310  -0.202  0.00  0.00    +0.131 A 
BRANCH  10  15
ATOM     15  C   LIG    1        3.474   1.381  -2.482  0.00  0.00    +0.174 C 
BRANCH  15  17
ATOM     16  C   LIG    1        2.818   3.325  -3.926  0.00  0.00    +0.039 C 
ATOM     17  C   LIG    1        2.405   2.438  -2.759  0.00  0.00    +0.133 C 
BRANCH  17  18
ATOM     18  O   LIG    1        2.239   3.289  -1.622  0.00  0.00    -0.390 OA
ATOM     19  H   LIG    1        1.618   2.818  -1.019  0.00  0.00    +0.210 HD
ENDBRANCH  17  18
ENDBRANCH  15  17
ENDBRANCH  10  15
ENDBRANCH   8  13
ENDBRANCH   1   8
BRANCH   3  20
ATOM     20  N   LIG    1       -0.983  -4.029   2.123  0.00  0.00    -0.325 N 
ATOM     21  H   LIG    1       -1.419  -4.502   2.915  0.00  0.00    +0.148 HD
BRANCH  20  22
ATOM     22  C   LIG    1       -1.919  -3.089   1.511  0.00  0.00    +0.072 C 
ATOM     23  C   LIG    1       -2.136  -1.798   2.301  0.00  0.00    +0.027 C 
ATOM     24  C   LIG    1       -2.647  -0.795   1.269  0.00  0.00    +0.011 C 
ATOM     25  C   LIG    1       -2.542  -1.465  -0.112  0.00  0.00    +0.011 C 
ATOM     26  C   LIG    1       -2.041  -0.380  -1.072  0.00  0.00    +0.113 C 
ATOM     27  N   LIG    1       -2.094   0.866  -0.264  0.00  0.00    -0.180 NA
ATOM     28  C   LIG    1       -1.804   0.467   1.128  0.00  0.00    +0.113 C 
ATOM     29  C   LIG    1       -1.597  -2.648   0.090  0.00  0.00    +0.027 C 
BRANCH  27  30
ATOM     30  S   LIG    1       -1.259   2.196  -0.886  0.00  0.00    +0.035 S 
ATOM     31  O   LIG    1       -1.541   2.275  -2.304  0.00  0.00    -0.158 OA
ATOM     32  O   LIG    1        0.107   2.134  -0.407  0.00  0.00    -0.158 OA
BRANCH  30  33
ATOM     33  C   LIG    1       -1.945   3.712  -0.143  0.00  0.00    +0.148 C 
ATOM     34  C   LIG    1       -3.278   3.579   0.546  0.00  0.00    +0.029 C 
ATOM     35  C   LIG    1       -3.200   4.217  -0.810  0.00  0.00    +0.029 C 
ENDBRANCH  30  33
ENDBRANCH  27  30
ENDBRANCH  20  22
ENDBRANCH   3  20
TORSDOF 9