REMARK  Name = BDB002093
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.506  -0.576   0.906  0.00  0.00    +0.081 C 
ATOM      2  C   LIG    1       -0.777  -1.952   0.362  0.00  0.00    +0.208 C 
ATOM      3  O   LIG    1       -1.911  -2.401   0.230  0.00  0.00    -0.285 OA
ATOM      4  C   LIG    1        0.378  -2.792  -0.006  0.00  0.00    +0.033 A 
ATOM      5  C   LIG    1        1.683  -2.364   0.224  0.00  0.00    +0.013 A 
ATOM      6  C   LIG    1        2.752  -3.201  -0.140  0.00  0.00    +0.011 A 
ATOM      7  C   LIG    1        2.514  -4.447  -0.725  0.00  0.00    +0.001 A 
ATOM      8  C   LIG    1        1.209  -4.870  -0.950  0.00  0.00    +0.001 A 
ATOM      9  C   LIG    1        1.961  -1.038   0.846  0.00  0.00    +0.095 C 
ATOM     10  N   LIG    1        3.201  -0.731   1.041  0.00  0.00    -0.128 NA
ATOM     11  C   LIG    1        0.142  -4.047  -0.592  0.00  0.00    +0.012 A 
ATOM     12  C   LIG    1        0.761  -0.213   1.152  0.00  0.00    +0.057 C 
ENDROOT
BRANCH  10  13
ATOM     13  S   LIG    1        3.768   0.638   1.673  0.00  0.00    +0.106 S 
ATOM     14  O   LIG    1        5.209   0.578   1.797  0.00  0.00    -0.146 OA
ATOM     15  O   LIG    1        2.934   1.105   2.762  0.00  0.00    -0.146 OA
BRANCH  13  16
ATOM     16  C   LIG    1        3.463   1.784   0.336  0.00  0.00    +0.150 A 
ATOM     17  S   LIG    1        4.101   1.369  -1.199  0.00  0.00    -0.076 S 
ATOM     18  C   LIG    1        3.465   2.786  -1.917  0.00  0.00    +0.047 A 
ATOM     19  C   LIG    1        2.789   3.569  -1.008  0.00  0.00    +0.010 A 
ATOM     20  C   LIG    1        2.793   2.994   0.295  0.00  0.00    +0.037 A 
ENDBRANCH  13  16
ENDBRANCH  10  13
BRANCH   1  21
ATOM     21  N   LIG    1       -1.585   0.238   1.238  0.00  0.00    -0.311 N 
ATOM     22  H   LIG    1       -1.347   0.980   1.891  0.00  0.00    +0.152 HD
BRANCH  21  25
ATOM     23  C   LIG    1       -3.795   1.738   2.355  0.00  0.00    +0.045 C 
ATOM     24  C   LIG    1       -3.687   1.437   0.883  0.00  0.00    -0.029 A 
ATOM     25  C   LIG    1       -2.600   0.701   0.356  0.00  0.00    +0.034 A 
ATOM     26  C   LIG    1       -2.594   0.418  -1.019  0.00  0.00    +0.023 A 
ATOM     27  C   LIG    1       -3.608   0.882  -1.860  0.00  0.00    +0.002 A 
ATOM     28  C   LIG    1       -4.657   1.630  -1.339  0.00  0.00    +0.000 A 
ATOM     29  C   LIG    1       -4.697   1.905   0.025  0.00  0.00    +0.005 A 
ENDBRANCH  21  25
ENDBRANCH   1  21
TORSDOF 4