REMARK  Name = BDB026855
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.708  -1.447   0.131  0.00  0.00    +0.156 C 
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1       -0.517   0.057   0.293  0.00  0.00    -0.023 A 
ATOM      3  C   LIG    1        0.098   0.588   1.441  0.00  0.00    +0.005 A 
ATOM      4  C   LIG    1        0.259   1.966   1.595  0.00  0.00    +0.000 A 
ATOM      5  C   LIG    1       -0.184   2.834   0.599  0.00  0.00    +0.000 A 
ATOM      6  C   LIG    1       -0.777   2.323  -0.554  0.00  0.00    +0.000 A 
ATOM      7  C   LIG    1       -0.939   0.944  -0.708  0.00  0.00    +0.005 A 
ENDBRANCH   1   2
BRANCH   1   8
ATOM      8  N   LIG    1        0.625  -2.106   0.089  0.00  0.00    -0.303 NA
ATOM      9  H   LIG    1        0.555  -3.016   0.551  0.00  0.00    +0.123 HD
BRANCH   8  10
ATOM     10  C   LIG    1        1.136  -2.256  -1.274  0.00  0.00    +0.086 C 
BRANCH  10  11
ATOM     11  C   LIG    1        2.668  -2.397  -1.281  0.00  0.00    +0.050 C 
BRANCH  11  15
ATOM     12  C   LIG    1        4.377   1.435  -0.352  0.00  0.00    +0.105 A 
ATOM     13  C   LIG    1        4.133   0.524   0.677  0.00  0.00    +0.029 A 
ATOM     14  C   LIG    1        3.618  -0.733   0.367  0.00  0.00    +0.005 A 
ATOM     15  C   LIG    1        3.351  -1.084  -0.964  0.00  0.00    -0.046 A 
ATOM     16  C   LIG    1        3.642  -0.172  -1.990  0.00  0.00    +0.005 A 
ATOM     17  C   LIG    1        4.160   1.087  -1.687  0.00  0.00    +0.029 A 
BRANCH  12  18
ATOM     18  S   LIG    1        4.919   3.069   0.055  0.00  0.00    +0.056 S 
ATOM     19  O   LIG    1        5.673   3.018   1.284  0.00  0.00    -0.153 OA
ATOM     20  O   LIG    1        5.424   3.704  -1.142  0.00  0.00    -0.153 OA
BRANCH  18  21
ATOM     21  N   LIG    1        3.445   3.825   0.378  0.00  0.00    -0.204 NA
ATOM     22  H   LIG    1        3.288   4.541  -0.333  0.00  0.00    +0.144 HD
ATOM     23  H   LIG    1        2.670   3.158   0.410  0.00  0.00    +0.144 HD
ENDBRANCH  18  21
ENDBRANCH  12  18
ENDBRANCH  11  15
ENDBRANCH  10  11
ENDBRANCH   8  10
ENDBRANCH   1   8
BRANCH   1  24
ATOM     24  C   LIG    1       -1.537  -2.044   1.307  0.00  0.00    +0.188 C 
ATOM     25  O   LIG    1       -1.017  -2.824   2.115  0.00  0.00    -0.290 OA
BRANCH  24  26
ATOM     26  C   LIG    1       -2.949  -1.690   1.446  0.00  0.00    +0.063 A 
ATOM     27  C   LIG    1       -3.859  -1.190   0.474  0.00  0.00    +0.099 A 
ATOM     28  C   LIG    1       -5.095  -1.007   1.093  0.00  0.00    +0.066 A 
ATOM     29  C   LIG    1       -6.200  -0.521   0.395  0.00  0.00    +0.029 A 
ATOM     30  C   LIG    1       -5.993  -0.244  -0.952  0.00  0.00    +0.022 A 
ATOM     31  C   LIG    1       -4.740  -0.464  -1.504  0.00  0.00    +0.111 A 
ATOM     32  N   LIG    1       -4.951  -1.393   2.403  0.00  0.00    -0.359 N 
ATOM     33  H   LIG    1       -5.688  -1.375   3.096  0.00  0.00    +0.165 HD
ATOM     34  N   LIG    1       -3.660  -0.933  -0.844  0.00  0.00    -0.253 NA
ATOM     35  C   LIG    1       -3.671  -1.825   2.623  0.00  0.00    +0.096 A 
ENDBRANCH  24  26
ENDBRANCH   1  24
TORSDOF 9