REMARK  Name = BDB028784
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.571   2.574  -1.002  0.00  0.00    +0.149 C 
ATOM      2  N   LIG    1       -0.968   1.357  -0.505  0.00  0.00    -0.349 N 
ATOM      3  C   LIG    1       -1.665   0.264  -0.041  0.00  0.00    +0.049 A 
ATOM      4  C   LIG    1       -0.717  -0.690   0.342  0.00  0.00    +0.005 A 
ATOM      5  C   LIG    1       -1.175  -1.920   0.864  0.00  0.00    +0.010 A 
ATOM      6  C   LIG    1       -2.548  -2.157   0.983  0.00  0.00    +0.001 A 
ATOM      7  C   LIG    1       -3.469  -1.192   0.592  0.00  0.00    +0.002 A 
ATOM      8  C   LIG    1        0.584  -0.138   0.093  0.00  0.00    -0.000 A 
ATOM      9  C   LIG    1       -3.046   0.035   0.074  0.00  0.00    +0.026 A 
ATOM     10  C   LIG    1        0.380   1.130  -0.428  0.00  0.00    +0.091 A 
ENDROOT
BRANCH   8  11
ATOM     11  C   LIG    1        1.893  -0.815   0.355  0.00  0.00    +0.174 C 
ATOM     12  C   LIG    1        2.843  -0.740  -0.827  0.00  0.00    +0.238 C 
ATOM     13  O   LIG    1        2.652  -1.232  -1.933  0.00  0.00    -0.274 OA
ATOM     14  N   LIG    1        3.984  -0.059  -0.520  0.00  0.00    -0.246 N 
ATOM     15  H   LIG    1        4.712   0.062  -1.205  0.00  0.00    +0.158 HD
ATOM     16  C   LIG    1        4.160   0.372   0.749  0.00  0.00    +0.279 C 
ATOM     17  O   LIG    1        5.152   0.947   1.164  0.00  0.00    -0.263 OA
ATOM     18  S   LIG    1        2.781  -0.021   1.736  0.00  0.00    -0.050 S 
ENDBRANCH   8  11
TORSDOF 1