REMARK  Name = BDB025367
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.558  -0.169   0.417  0.00  0.00    +0.255 C 
ATOM      2  N   LIG    1        0.497  -0.973  -0.059  0.00  0.00    -0.201 N 
ATOM      3  C   LIG    1        1.849  -0.819   0.166  0.00  0.00    +0.069 A 
ATOM      4  C   LIG    1        2.486   0.271   0.947  0.00  0.00    +0.165 C 
ATOM      5  N   LIG    1        3.976   0.197   0.780  0.00  0.00    -0.175 NA
ATOM      6  C   LIG    1        4.514  -1.209   0.758  0.00  0.00    +0.114 C 
ATOM      7  C   LIG    1        3.958  -2.022  -0.426  0.00  0.00    +0.057 C 
ATOM      8  C   LIG    1        2.483  -1.866  -0.466  0.00  0.00    +0.018 A 
ATOM      9  C   LIG    1        1.454  -2.604  -1.058  0.00  0.00    +0.142 A 
ATOM     10  N   LIG    1        0.258  -2.082  -0.816  0.00  0.00    -0.149 NA
ATOM     11  O   LIG    1       -0.289   0.760   1.175  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   1  16
ATOM     12  C   LIG    1       -4.039   3.865  -1.170  0.00  0.00    +0.148 C 
ATOM     13  N   LIG    1       -3.844   2.527  -0.664  0.00  0.00    -0.356 N 
ATOM     14  C   LIG    1       -2.691   1.798  -0.794  0.00  0.00    +0.090 A 
ATOM     15  C   LIG    1       -2.881   0.584  -0.165  0.00  0.00    -0.015 A 
ATOM     16  C   LIG    1       -1.946  -0.595  -0.040  0.00  0.00    +0.111 C 
ATOM     17  C   LIG    1       -2.505  -1.632   0.966  0.00  0.00    +0.018 C 
ATOM     18  C   LIG    1       -4.016  -1.862   0.801  0.00  0.00    +0.006 C 
ATOM     19  C   LIG    1       -4.819  -0.578   1.055  0.00  0.00    +0.037 C 
ATOM     20  C   LIG    1       -4.220   0.576   0.327  0.00  0.00    -0.026 A 
ATOM     21  C   LIG    1       -4.784   1.793   0.010  0.00  0.00    +0.089 A 
ENDBRANCH   1  16
BRANCH   5  22
ATOM     22  S   LIG    1        4.657   1.261  -0.352  0.00  0.00    +0.029 S 
ATOM     23  O   LIG    1        3.807   1.291  -1.522  0.00  0.00    -0.158 OA
ATOM     24  O   LIG    1        6.066   0.950  -0.464  0.00  0.00    -0.158 OA
ATOM     25  C   LIG    1        4.523   2.822   0.495  0.00  0.00    +0.215 C 
ENDBRANCH   5  22
BRANCH   9  26
ATOM     26  N   LIG    1        1.640  -3.709  -1.788  0.00  0.00    -0.341 N 
ATOM     27  H   LIG    1        2.520  -3.842  -2.272  0.00  0.00    +0.144 HD
ATOM     28  H   LIG    1        0.845  -4.003  -2.347  0.00  0.00    +0.144 HD
ENDBRANCH   9  26
TORSDOF 3