REMARK  Name = BDB016534
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.776   0.722   0.779  0.00  0.00    +0.106 A 
ATOM      2  C   LIG    1        0.916   1.485  -0.012  0.00  0.00    +0.044 A 
ATOM      3  C   LIG    1       -0.437   1.137  -0.058  0.00  0.00    +0.067 A 
ATOM      4  C   LIG    1       -0.945   0.061   0.673  0.00  0.00    +0.080 A 
ATOM      5  N   LIG    1       -2.299  -0.300   0.641  0.00  0.00    -0.216 NA
ATOM      6  C   LIG    1       -3.126   0.385  -0.092  0.00  0.00    +0.199 A 
ATOM      7  N   LIG    1       -2.689   1.453  -0.834  0.00  0.00    -0.294 N 
ATOM      8  H   LIG    1       -3.340   1.980  -1.388  0.00  0.00    +0.172 HD
ATOM      9  C   LIG    1       -0.069  -0.681   1.468  0.00  0.00    +0.030 A 
ATOM     10  C   LIG    1       -1.391   1.891  -0.881  0.00  0.00    +0.260 A 
ATOM     11  O   LIG    1       -1.045   2.845  -1.568  0.00  0.00    -0.267 OA
ATOM     12  C   LIG    1        1.290  -0.355   1.528  0.00  0.00    +0.030 A 
ENDROOT
BRANCH   6  13
ATOM     13  N   LIG    1       -4.459   0.065  -0.148  0.00  0.00    -0.301 N 
ATOM     14  C   LIG    1       -5.026  -1.018   0.654  0.00  0.00    +0.108 C 
ATOM     15  C   LIG    1       -6.533  -0.836   0.512  0.00  0.00    +0.020 C 
ATOM     16  C   LIG    1       -6.671  -0.265  -0.887  0.00  0.00    +0.020 C 
ATOM     17  C   LIG    1       -5.476   0.676  -0.991  0.00  0.00    +0.108 C 
ENDBRANCH   6  13
BRANCH   1  18
ATOM     18  S   LIG    1        3.497   1.145   0.879  0.00  0.00    +0.059 S 
ATOM     19  O   LIG    1        3.663   2.493   0.380  0.00  0.00    -0.153 OA
ATOM     20  O   LIG    1        3.972   0.750   2.186  0.00  0.00    -0.153 OA
BRANCH  18  21
ATOM     21  N   LIG    1        4.138   0.119  -0.316  0.00  0.00    -0.184 NA
ATOM     22  H   LIG    1        4.239   0.662  -1.177  0.00  0.00    +0.149 HD
BRANCH  21  24
ATOM     23  C   LIG    1        6.598   0.326   0.169  0.00  0.00    +0.029 C 
ATOM     24  C   LIG    1        5.399  -0.580   0.034  0.00  0.00    +0.037 C 
ATOM     25  C   LIG    1        5.631  -1.935  -0.599  0.00  0.00    +0.025 C 
ATOM     26  C   LIG    1        5.349  -1.836   0.870  0.00  0.00    +0.025 C 
ENDBRANCH  21  24
ENDBRANCH  18  21
ENDBRANCH   1  18
TORSDOF 4