REMARK  Name = BDB028793
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.545   2.694   0.758  0.00  0.00    +0.173 C 
ATOM      2  N   LIG    1        1.539   1.690   0.508  0.00  0.00    -0.266 N 
ATOM      3  C   LIG    1        1.757   0.417   0.047  0.00  0.00    +0.069 A 
ATOM      4  C   LIG    1        0.494  -0.165  -0.031  0.00  0.00    +0.024 A 
ATOM      5  C   LIG    1        0.388  -1.495  -0.485  0.00  0.00    +0.012 A 
ATOM      6  C   LIG    1        1.550  -2.192  -0.839  0.00  0.00    +0.001 A 
ATOM      7  C   LIG    1        2.800  -1.585  -0.749  0.00  0.00    +0.002 A 
ATOM      8  C   LIG    1       -0.408   0.852   0.408  0.00  0.00    +0.093 A 
ATOM      9  C   LIG    1        2.930  -0.267  -0.304  0.00  0.00    +0.028 A 
ATOM     10  N   LIG    1        0.243   1.984   0.719  0.00  0.00    -0.174 NA
ENDROOT
BRANCH   8  11
ATOM     11  C   LIG    1       -1.896   0.810   0.526  0.00  0.00    +0.191 C 
ATOM     12  C   LIG    1       -2.399  -0.442   1.228  0.00  0.00    +0.238 C 
ATOM     13  O   LIG    1       -2.075  -0.821   2.347  0.00  0.00    -0.274 OA
ATOM     14  N   LIG    1       -3.296  -1.127   0.456  0.00  0.00    -0.264 N 
ATOM     15  H   LIG    1       -3.727  -1.979   0.779  0.00  0.00    +0.157 HD
ATOM     16  C   LIG    1       -3.562  -0.642  -0.765  0.00  0.00    +0.154 C 
ATOM     17  N   LIG    1       -4.367  -1.216  -1.573  0.00  0.00    -0.280 NA
ATOM     18  H   LIG    1       -4.397  -0.654  -2.433  0.00  0.00    +0.189 HD
ATOM     19  S   LIG    1       -2.709   0.806  -1.119  0.00  0.00    -0.072 S 
ENDBRANCH   8  11
TORSDOF 1