REMARK  Name = BDB016266
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.895   0.432   1.432  0.00  0.00    +0.023 A 
ATOM      2  S   LIG    1       -1.299  -0.926   2.298  0.00  0.00    -0.093 S 
ATOM      3  C   LIG    1        0.213  -0.821   1.536  0.00  0.00    -0.003 A 
ATOM      4  C   LIG    1        1.338  -1.754   1.837  0.00  0.00    +0.062 C 
ATOM      5  C   LIG    1        2.343  -1.721   0.675  0.00  0.00    +0.116 C 
ATOM      6  N   LIG    1        2.646  -0.348   0.238  0.00  0.00    -0.263 N 
ATOM      7  C   LIG    1        1.528   0.502  -0.177  0.00  0.00    +0.147 C 
ATOM      8  C   LIG    1        3.904   0.030  -0.202  0.00  0.00    +0.404 C 
ATOM      9  O   LIG    1        4.125   1.086  -0.781  0.00  0.00    -0.226 OA
ATOM     10  C   LIG    1        0.298   0.217   0.632  0.00  0.00    -0.019 A 
ATOM     11  C   LIG    1       -0.935   0.939   0.574  0.00  0.00    +0.021 A 
ENDROOT
BRANCH   1  24
ATOM     12  C   LIG    1       -3.836  -1.103  -2.369  0.00  0.00    +0.052 C 
ATOM     13  C   LIG    1       -4.664  -0.212  -1.446  0.00  0.00    +0.179 C 
ATOM     14  O   LIG    1       -3.734   0.481  -0.620  0.00  0.00    -0.486 OA
ATOM     15  C   LIG    1       -4.218   0.919   0.584  0.00  0.00    +0.150 A 
ATOM     16  C   LIG    1       -5.521   1.395   0.812  0.00  0.00    +0.076 A 
ATOM     17  C   LIG    1       -5.871   1.802   2.113  0.00  0.00    +0.027 A 
ATOM     18  C   LIG    1       -4.953   1.764   3.160  0.00  0.00    +0.003 A 
ATOM     19  C   LIG    1       -3.659   1.318   2.925  0.00  0.00    +0.013 A 
ATOM     20  N   LIG    1       -6.553   1.536  -0.137  0.00  0.00    -0.282 N 
ATOM     21  H   LIG    1       -7.439   1.893   0.203  0.00  0.00    +0.155 HD
ATOM     22  C   LIG    1       -6.615   1.307  -1.473  0.00  0.00    +0.221 C 
ATOM     23  O   LIG    1       -7.676   1.553  -2.056  0.00  0.00    -0.275 OA
ATOM     24  C   LIG    1       -3.276   0.892   1.644  0.00  0.00    +0.032 A 
ATOM     25  C   LIG    1       -5.426   0.821  -2.242  0.00  0.00    +0.140 C 
ENDBRANCH   1  24
BRANCH   8  26
ATOM     26  O   LIG    1        4.851  -0.900   0.084  0.00  0.00    -0.445 OA
BRANCH  26  27
ATOM     27  C   LIG    1        6.240  -0.695  -0.284  0.00  0.00    +0.107 C 
ATOM     28  C   LIG    1        6.962  -1.956   0.215  0.00  0.00    +0.055 C 
ATOM     29  C   LIG    1        6.407  -0.606  -1.805  0.00  0.00    +0.055 C 
ATOM     30  C   LIG    1        6.833   0.523   0.432  0.00  0.00    +0.055 C 
ENDBRANCH  26  27
ENDBRANCH   8  26
TORSDOF 3