REMARK  Name = BDB017405
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.331  -0.158   1.175  0.00  0.00    +0.161 C 
ATOM      2  C   LIG    1        0.444   0.554   0.124  0.00  0.00    +0.238 C 
ATOM      3  O   LIG    1       -0.279  -0.128  -0.615  0.00  0.00    -0.273 OA
ATOM      4  N   LIG    1        0.432   1.927  -0.002  0.00  0.00    -0.266 N 
ATOM      5  C   LIG    1        1.501   2.877   0.365  0.00  0.00    +0.219 C 
ATOM      6  C   LIG    1        1.403   3.946  -0.729  0.00  0.00    +0.048 C 
ATOM      7  C   LIG    1       -0.083   4.020  -1.016  0.00  0.00    +0.035 C 
ATOM      8  S   LIG    1        3.202   2.301   0.474  0.00  0.00    -0.012 S 
ATOM      9  O   LIG    1        3.435   1.376  -0.620  0.00  0.00    -0.173 OA
ATOM     10  O   LIG    1        4.065   3.453   0.661  0.00  0.00    -0.173 OA
ATOM     11  C   LIG    1        3.219   1.385   1.995  0.00  0.00    +0.170 C 
ATOM     12  C   LIG    1       -0.546   2.564  -0.903  0.00  0.00    +0.164 C 
ATOM     13  C   LIG    1        1.905   0.690   2.310  0.00  0.00    +0.054 C 
ENDROOT
BRANCH   1  15
ATOM     14  C   LIG    1        2.843  -2.126   1.127  0.00  0.00    +0.230 C 
ATOM     15  N   LIG    1        2.316  -1.002   0.527  0.00  0.00    -0.303 N 
ATOM     16  H   LIG    1        2.809  -0.677  -0.310  0.00  0.00    +0.149 HD
ATOM     17  O   LIG    1        2.504  -2.497   2.247  0.00  0.00    -0.274 OA
BRANCH  14  18
ATOM     18  C   LIG    1        3.854  -2.883   0.232  0.00  0.00    +0.137 C 
ATOM     19  C   LIG    1        4.693  -3.844   1.072  0.00  0.00    +0.034 C 
BRANCH  18  21
ATOM     20  C   LIG    1        5.342  -2.446  -1.656  0.00  0.00    +0.101 C 
ATOM     21  N   LIG    1        4.685  -1.887  -0.483  0.00  0.00    -0.309 NA
ATOM     22  H   LIG    1        5.388  -1.510   0.153  0.00  0.00    +0.122 HD
ENDBRANCH  18  21
ENDBRANCH  14  18
ENDBRANCH   1  15
BRANCH  12  23
ATOM     23  C   LIG    1       -1.966   2.477  -0.296  0.00  0.00    +0.234 C 
ATOM     24  N   LIG    1       -2.611   1.288  -0.557  0.00  0.00    -0.307 N 
ATOM     25  H   LIG    1       -2.031   0.510  -0.877  0.00  0.00    +0.149 HD
ATOM     26  O   LIG    1       -2.449   3.355   0.416  0.00  0.00    -0.274 OA
BRANCH  24  27
ATOM     27  C   LIG    1       -3.893   0.954   0.044  0.00  0.00    +0.103 C 
ATOM     28  C   LIG    1       -4.570  -0.115  -0.794  0.00  0.00    -0.024 A 
ATOM     29  C   LIG    1       -4.649  -1.454  -0.365  0.00  0.00    -0.042 A 
ATOM     30  C   LIG    1       -5.267  -2.407  -1.190  0.00  0.00    +0.004 A 
ATOM     31  C   LIG    1       -5.785  -2.045  -2.433  0.00  0.00    +0.000 A 
ATOM     32  C   LIG    1       -5.699  -0.725  -2.864  0.00  0.00    +0.000 A 
ATOM     33  C   LIG    1       -4.143  -1.886   0.989  0.00  0.00    +0.035 C 
ATOM     34  C   LIG    1       -3.181  -0.888   1.627  0.00  0.00    +0.007 C 
ATOM     35  C   LIG    1       -5.095   0.234  -2.051  0.00  0.00    +0.006 A 
ATOM     36  C   LIG    1       -3.729   0.531   1.514  0.00  0.00    +0.027 C 
ENDBRANCH  24  27
ENDBRANCH  12  23
TORSDOF 5