REMARK  Name = BDB002742
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.405  -0.159   0.236  0.00  0.00    -0.294 N 
ATOM      2  H   LIG    1        1.142  -0.838   0.014  0.00  0.00    +0.154 HD
ENDROOT
BRANCH   1   5
ATOM      3  C   LIG    1       -3.280  -0.493  -0.541  0.00  0.00    -0.043 A 
ATOM      4  C   LIG    1       -2.071   0.069  -0.081  0.00  0.00    +0.031 A 
ATOM      5  C   LIG    1       -0.864  -0.623  -0.185  0.00  0.00    +0.075 A 
ATOM      6  C   LIG    1       -0.885  -1.898  -0.776  0.00  0.00    +0.138 A 
ATOM      7  C   LIG    1       -2.066  -2.475  -1.238  0.00  0.00    +0.047 A 
ATOM      8  C   LIG    1       -3.261  -1.771  -1.117  0.00  0.00    +0.007 A 
BRANCH   3  10
ATOM      9  C   LIG    1       -5.187   0.610  -1.771  0.00  0.00    +0.012 C 
ATOM     10  C   LIG    1       -4.572   0.297  -0.404  0.00  0.00    +0.013 C 
ATOM     11  C   LIG    1       -5.579  -0.422   0.496  0.00  0.00    +0.012 C 
ENDBRANCH   3  10
BRANCH   6  12
ATOM     12  O   LIG    1        0.301  -2.579  -0.890  0.00  0.00    -0.505 OA
ATOM     13  H   LIG    1        0.133  -3.437  -1.313  0.00  0.00    +0.292 HD
ENDBRANCH   6  12
ENDBRANCH   1   5
BRANCH   1  14
ATOM     14  C   LIG    1        0.841   0.953   0.907  0.00  0.00    +0.141 C 
ATOM     15  S   LIG    1       -0.024   2.224   1.562  0.00  0.00    -0.018 S 
BRANCH  14  16
ATOM     16  N   LIG    1        2.217   1.042   1.069  0.00  0.00    -0.264 N 
ATOM     17  H   LIG    1        2.484   1.869   1.583  0.00  0.00    +0.157 HD
ATOM     18  C   LIG    1        3.215   0.163   0.668  0.00  0.00    +0.251 C 
ATOM     19  O   LIG    1        3.001  -0.937   0.171  0.00  0.00    -0.270 OA
BRANCH  18  20
ATOM     20  C   LIG    1        4.610   0.598   0.913  0.00  0.00    +0.055 A 
ATOM     21  C   LIG    1        5.589  -0.375   1.077  0.00  0.00    +0.123 A 
ATOM     22  N   LIG    1        6.896  -0.099   1.312  0.00  0.00    -0.263 NA
ATOM     23  C   LIG    1        7.244   1.204   1.367  0.00  0.00    +0.111 A 
ATOM     24  C   LIG    1        6.345   2.246   1.196  0.00  0.00    +0.020 A 
ATOM     25  C   LIG    1        5.005   1.938   0.961  0.00  0.00    +0.016 A 
ENDBRANCH  18  20
ENDBRANCH  14  16
ENDBRANCH   1  14
TORSDOF 6