REMARK  Name = BDB063316
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.628  -1.672  -0.477  0.00  0.00    +0.228 C 
ATOM      2  N   LIG    1        0.483  -2.130   0.203  0.00  0.00    -0.268 N 
ATOM      3  C   LIG    1        1.656  -2.657  -0.533  0.00  0.00    +0.185 C 
ATOM      4  C   LIG    1        2.378  -3.637   0.392  0.00  0.00    +0.199 C 
ATOM      5  S   LIG    1        2.252  -2.912   2.011  0.00  0.00    -0.013 S 
ATOM      6  O   LIG    1        3.382  -2.038   2.240  0.00  0.00    -0.173 OA
ATOM      7  O   LIG    1        1.880  -3.951   2.950  0.00  0.00    -0.173 OA
ATOM      8  C   LIG    1        0.805  -1.922   1.617  0.00  0.00    +0.275 C 
ATOM      9  O   LIG    1       -0.593  -1.689  -1.713  0.00  0.00    -0.275 OA
ENDROOT
BRANCH   1  10
ATOM     10  C   LIG    1       -1.888  -1.145   0.291  0.00  0.00    +0.072 C 
ATOM     11  C   LIG    1       -2.479  -2.361   1.075  0.00  0.00    +0.021 C 
ATOM     12  C   LIG    1       -4.006  -2.351   1.151  0.00  0.00    +0.001 C 
ATOM     13  C   LIG    1       -4.643  -2.439  -0.233  0.00  0.00    +0.000 C 
ATOM     14  C   LIG    1       -3.809  -1.764  -1.318  0.00  0.00    +0.001 C 
ATOM     15  C   LIG    1       -2.948  -0.638  -0.750  0.00  0.00    +0.021 C 
BRANCH  10  19
ATOM     16  C   LIG    1       -0.758   2.403   2.598  0.00  0.00    +0.120 A 
ATOM     17  C   LIG    1       -0.399   2.277   1.261  0.00  0.00    +0.046 A 
ATOM     18  C   LIG    1       -0.779   1.141   0.536  0.00  0.00    +0.008 A 
ATOM     19  C   LIG    1       -1.512   0.093   1.133  0.00  0.00    -0.032 A 
ATOM     20  C   LIG    1       -1.888   0.252   2.473  0.00  0.00    +0.008 A 
ATOM     21  C   LIG    1       -1.508   1.389   3.195  0.00  0.00    +0.046 A 
BRANCH  16  23
ATOM     22  C   LIG    1        0.312   4.509   2.855  0.00  0.00    +0.277 C 
ATOM     23  O   LIG    1       -0.453   3.451   3.420  0.00  0.00    -0.495 OA
ENDBRANCH  16  23
ENDBRANCH  10  19
ENDBRANCH   1  10
BRANCH   3  24
ATOM     24  C   LIG    1        2.613  -1.531  -1.005  0.00  0.00    +0.240 C 
ATOM     25  N   LIG    1        1.968  -0.489  -1.627  0.00  0.00    -0.269 N 
ATOM     26  H   LIG    1        0.995  -0.615  -1.896  0.00  0.00    +0.156 HD
ATOM     27  O   LIG    1        3.830  -1.647  -0.903  0.00  0.00    -0.273 OA
BRANCH  25  28
ATOM     28  C   LIG    1        2.484   0.743  -2.037  0.00  0.00    +0.126 A 
ATOM     29  N   LIG    1        1.557   1.517  -2.640  0.00  0.00    -0.229 NA
ATOM     30  C   LIG    1        1.991   2.736  -3.036  0.00  0.00    +0.110 A 
ATOM     31  C   LIG    1        3.286   3.187  -2.841  0.00  0.00    +0.084 A 
ATOM     32  N   LIG    1        3.313   4.446  -3.376  0.00  0.00    -0.275 N 
ATOM     33  H   LIG    1        4.099   5.084  -3.421  0.00  0.00    +0.189 HD
ATOM     34  N   LIG    1        2.134   4.850  -3.891  0.00  0.00    -0.180 NA
ATOM     35  C   LIG    1        4.242   2.399  -2.213  0.00  0.00    +0.032 A 
ATOM     36  C   LIG    1        1.332   3.797  -3.687  0.00  0.00    +0.162 A 
ATOM     37  C   LIG    1        3.800   1.138  -1.802  0.00  0.00    +0.046 A 
ENDBRANCH  25  28
ENDBRANCH   3  24
TORSDOF 5