REMARK  Name = BDB001876
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.046   1.574   0.291  0.00  0.00    +0.154 A 
ATOM      2  N   LIG    1       -1.411   1.314   0.369  0.00  0.00    -0.261 N 
ATOM      3  S   LIG    1       -2.256   2.776   0.740  0.00  0.00    +0.031 S 
ATOM      4  C   LIG    1       -0.743   3.651   0.671  0.00  0.00    +0.174 A 
ATOM      5  N   LIG    1        0.324   2.912   0.438  0.00  0.00    -0.206 NA
ENDROOT
BRANCH   1  10
ATOM      6  C   LIG    1        4.167  -2.318  -0.332  0.00  0.00    +0.044 C 
ATOM      7  C   LIG    1        3.053  -1.321  -0.182  0.00  0.00    -0.050 A 
ATOM      8  C   LIG    1        2.108  -1.465   0.840  0.00  0.00    +0.004 A 
ATOM      9  C   LIG    1        1.092  -0.520   1.005  0.00  0.00    +0.012 A 
ATOM     10  C   LIG    1        1.010   0.582   0.143  0.00  0.00    +0.018 A 
ATOM     11  C   LIG    1        1.979   0.748  -0.855  0.00  0.00    +0.012 A 
ATOM     12  C   LIG    1        2.992  -0.199  -1.016  0.00  0.00    +0.004 A 
ENDBRANCH   1  10
BRANCH   2  13
ATOM     13  C   LIG    1       -2.106   0.062   0.106  0.00  0.00    +0.055 A 
ATOM     14  C   LIG    1       -3.268  -0.235   0.826  0.00  0.00    +0.027 A 
ATOM     15  C   LIG    1       -3.948  -1.427   0.570  0.00  0.00    +0.002 A 
ATOM     16  C   LIG    1       -3.475  -2.307  -0.403  0.00  0.00    +0.000 A 
ATOM     17  C   LIG    1       -2.325  -1.997  -1.130  0.00  0.00    +0.002 A 
ATOM     18  C   LIG    1       -1.638  -0.808  -0.881  0.00  0.00    +0.027 A 
ENDBRANCH   2  13
BRANCH   4  19
ATOM     19  N   LIG    1       -0.678   4.979   0.843  0.00  0.00    -0.336 N 
ATOM     20  H   LIG    1       -1.430   5.502   1.282  0.00  0.00    +0.144 HD
ATOM     21  H   LIG    1        0.240   5.397   0.976  0.00  0.00    +0.144 HD
ENDBRANCH   4  19
TORSDOF 3