REMARK  Name = BDB057404
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.640  -1.500   0.544  0.00  0.00    +0.165 A 
ATOM      2  S   LIG    1        1.555  -2.267   2.059  0.00  0.00    -0.060 S 
ATOM      3  C   LIG    1       -0.130  -2.482   1.849  0.00  0.00    +0.073 A 
ATOM      4  C   LIG    1       -0.530  -1.937   0.642  0.00  0.00    +0.064 A 
ATOM      5  N   LIG    1        0.508  -1.391  -0.108  0.00  0.00    -0.228 NA
ENDROOT
BRANCH   1   7
ATOM      6  C   LIG    1        4.068  -1.081   0.523  0.00  0.00    +0.287 C 
ATOM      7  N   LIG    1        2.793  -0.989   0.012  0.00  0.00    -0.258 N 
ATOM      8  H   LIG    1        2.636  -0.563  -0.887  0.00  0.00    +0.157 HD
ATOM      9  O   LIG    1        4.379  -1.725   1.520  0.00  0.00    -0.266 OA
BRANCH   6  13
ATOM     10  C   LIG    1        8.524  -0.135  -1.044  0.00  0.00    +0.109 C 
ATOM     11  C   LIG    1        7.065   0.073  -0.970  0.00  0.00    +0.194 A 
ATOM     12  O   LIG    1        6.376  -0.757  -0.137  0.00  0.00    -0.435 OA
ATOM     13  C   LIG    1        5.063  -0.364  -0.255  0.00  0.00    +0.213 A 
ATOM     14  C   LIG    1        5.044   0.704  -1.139  0.00  0.00    +0.089 A 
ATOM     15  C   LIG    1        3.926   1.561  -1.593  0.00  0.00    +0.070 C 
ATOM     16  N   LIG    1        6.320   0.956  -1.596  0.00  0.00    -0.218 NA
ENDBRANCH   6  13
ENDBRANCH   1   7
BRANCH   4  17
ATOM     17  C   LIG    1       -1.930  -1.916   0.092  0.00  0.00    +0.140 C 
BRANCH  17  18
ATOM     18  N   LIG    1       -2.514  -0.562   0.167  0.00  0.00    -0.296 NA
ATOM     19  C   LIG    1       -3.707  -0.488  -0.692  0.00  0.00    +0.088 C 
ATOM     20  C   LIG    1       -4.301   0.929  -0.710  0.00  0.00    +0.000 C 
ATOM     21  C   LIG    1       -5.545   0.982  -1.596  0.00  0.00    +0.009 C 
ATOM     22  C   LIG    1       -4.630   1.392   0.712  0.00  0.00    +0.009 C 
ATOM     23  C   LIG    1       -3.402   1.252   1.617  0.00  0.00    +0.000 C 
ATOM     24  C   LIG    1       -3.749   1.629   3.057  0.00  0.00    +0.009 C 
ATOM     25  C   LIG    1       -2.838  -0.178   1.550  0.00  0.00    +0.088 C 
ENDBRANCH  17  18
ENDBRANCH   4  17
TORSDOF 4