REMARK  Name = BDB006090
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.956   1.208   2.745  0.00  0.00    +0.158 C 
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1       -2.807   0.641   1.605  0.00  0.00    +0.123 A 
ATOM      3  N   LIG    1       -3.060  -0.714   1.587  0.00  0.00    -0.325 N 
ATOM      4  H   LIG    1       -2.687  -1.300   2.322  0.00  0.00    +0.169 HD
ATOM      5  C   LIG    1       -3.781  -1.363   0.623  0.00  0.00    +0.162 A 
ATOM      6  C   LIG    1       -4.303  -0.494  -0.434  0.00  0.00    +0.057 A 
ATOM      7  C   LIG    1       -5.048  -1.046  -1.460  0.00  0.00    +0.053 A 
ATOM      8  C   LIG    1       -5.280  -2.497  -1.435  0.00  0.00    +0.273 A 
ATOM      9  N   LIG    1       -4.724  -3.185  -0.376  0.00  0.00    -0.241 N 
ATOM     10  H   LIG    1       -4.876  -4.189  -0.345  0.00  0.00    +0.192 HD
ATOM     11  O   LIG    1       -5.932  -3.049  -2.313  0.00  0.00    -0.266 OA
ATOM     12  C   LIG    1       -5.544  -0.221  -2.469  0.00  0.00    +0.014 A 
ATOM     13  C   LIG    1       -5.280   1.152  -2.424  0.00  0.00    +0.003 A 
ATOM     14  C   LIG    1       -4.523   1.695  -1.376  0.00  0.00    +0.028 A 
ATOM     15  C   LIG    1       -4.022   0.877  -0.362  0.00  0.00    +0.077 A 
ATOM     16  N   LIG    1       -3.985  -2.647   0.644  0.00  0.00    -0.153 NA
ATOM     17  N   LIG    1       -3.256   1.450   0.680  0.00  0.00    -0.232 NA
ENDBRANCH   1   2
BRANCH   1  21
ATOM     18  N   LIG    1        1.378   1.201   0.064  0.00  0.00    -0.174 NA
ATOM     19  C   LIG    1        0.107   2.001  -0.012  0.00  0.00    +0.125 C 
ATOM     20  C   LIG    1       -0.349   2.494   1.374  0.00  0.00    +0.102 C 
ATOM     21  N   LIG    1       -0.551   1.423   2.370  0.00  0.00    -0.293 NA
ATOM     22  C   LIG    1        0.193   0.200   2.036  0.00  0.00    +0.102 C 
ATOM     23  C   LIG    1        1.554   0.510   1.383  0.00  0.00    +0.125 C 
BRANCH  18  24
ATOM     24  S   LIG    1        2.750   2.046  -0.500  0.00  0.00    +0.061 S 
ATOM     25  O   LIG    1        2.479   2.498  -1.849  0.00  0.00    -0.153 OA
ATOM     26  O   LIG    1        3.142   2.979   0.535  0.00  0.00    -0.153 OA
BRANCH  24  31
ATOM     27  C   LIG    1        6.938  -2.324  -0.927  0.00  0.00    +0.044 C 
ATOM     28  C   LIG    1        5.888  -1.259  -0.799  0.00  0.00    -0.050 A 
ATOM     29  C   LIG    1        4.802  -1.226  -1.685  0.00  0.00    +0.005 A 
ATOM     30  C   LIG    1        3.844  -0.216  -1.591  0.00  0.00    +0.029 A 
ATOM     31  C   LIG    1        3.976   0.768  -0.608  0.00  0.00    +0.105 A 
ATOM     32  C   LIG    1        5.064   0.763   0.268  0.00  0.00    +0.029 A 
ATOM     33  C   LIG    1        6.019  -0.251   0.167  0.00  0.00    +0.005 A 
ENDBRANCH  24  31
ENDBRANCH  18  24
ENDBRANCH   1  21
TORSDOF 4