REMARK  Name = BDB022088
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.501  -1.606   0.912  0.00  0.00    +0.247 C 
ATOM      2  N   LIG    1       -0.333  -1.224   0.251  0.00  0.00    -0.297 N 
ATOM      3  C   LIG    1        0.867  -2.024   0.484  0.00  0.00    +0.109 C 
ATOM      4  C   LIG    1        1.872  -1.883  -0.654  0.00  0.00    +0.029 C 
ATOM      5  C   LIG    1        2.266  -0.418  -0.906  0.00  0.00    +0.048 C 
ATOM      6  C   LIG    1        1.246   0.586  -0.347  0.00  0.00    +0.029 C 
ATOM      7  C   LIG    1       -0.174   0.045  -0.464  0.00  0.00    +0.109 C 
ATOM      8  O   LIG    1       -1.543  -2.518   1.735  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   5   9
ATOM      9  C   LIG    1        3.671  -0.092  -0.454  0.00  0.00    +0.083 A 
ATOM     10  S   LIG    1        4.180  -0.314   1.175  0.00  0.00    -0.072 S 
ATOM     11  C   LIG    1        5.748   0.266   0.771  0.00  0.00    +0.039 A 
ATOM     12  C   LIG    1        5.775   0.592  -0.585  0.00  0.00    +0.078 A 
ATOM     13  C   LIG    1        6.971   1.092  -1.138  0.00  0.00    +0.029 A 
ATOM     14  C   LIG    1        8.100   1.251  -0.328  0.00  0.00    +0.002 A 
ATOM     15  C   LIG    1        8.050   0.918   1.022  0.00  0.00    +0.001 A 
ATOM     16  C   LIG    1        6.876   0.421   1.595  0.00  0.00    +0.017 A 
ATOM     17  N   LIG    1        4.588   0.386  -1.268  0.00  0.00    -0.244 NA
ENDBRANCH   5   9
BRANCH   1  20
ATOM     18  C   LIG    1       -4.702   0.304   1.421  0.00  0.00    +0.124 A 
ATOM     19  C   LIG    1       -3.501  -0.362   1.673  0.00  0.00    +0.059 A 
ATOM     20  C   LIG    1       -2.760  -0.890   0.615  0.00  0.00    +0.044 A 
ATOM     21  C   LIG    1       -3.233  -0.791  -0.695  0.00  0.00    +0.059 A 
ATOM     22  C   LIG    1       -4.432  -0.126  -0.955  0.00  0.00    +0.124 A 
ATOM     23  C   LIG    1       -5.162   0.427   0.104  0.00  0.00    +0.091 A 
BRANCH  18  25
ATOM     24  C   LIG    1       -6.590   1.413   2.360  0.00  0.00    +0.277 C 
ATOM     25  O   LIG    1       -5.323   0.792   2.538  0.00  0.00    -0.495 OA
ENDBRANCH  18  25
BRANCH  22  26
ATOM     26  O   LIG    1       -4.777  -0.082  -2.278  0.00  0.00    -0.495 OA
ATOM     27  C   LIG    1       -6.025   0.517  -2.605  0.00  0.00    +0.277 C 
ENDBRANCH  22  26
ENDBRANCH   1  20
TORSDOF 4