REMARK  Name = BDB056370
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.793   0.179   0.735  0.00  0.00    +0.170 A 
ATOM      2  N   LIG    1        1.500   0.198   1.907  0.00  0.00    -0.301 N 
ATOM      3  H   LIG    1        1.014   0.346   2.777  0.00  0.00    +0.171 HD
ATOM      4  C   LIG    1        2.863   0.032   1.963  0.00  0.00    +0.261 A 
ATOM      5  O   LIG    1        3.484   0.049   3.020  0.00  0.00    -0.267 OA
ATOM      6  C   LIG    1        3.471  -0.166   0.667  0.00  0.00    +0.075 A 
ATOM      7  C   LIG    1        2.642  -0.169  -0.446  0.00  0.00    +0.117 A 
ATOM      8  S   LIG    1        3.522  -0.419  -1.908  0.00  0.00    -0.073 S 
ATOM      9  C   LIG    1        4.957  -0.513  -1.052  0.00  0.00    -0.004 A 
ATOM     10  C   LIG    1        6.354  -0.730  -1.491  0.00  0.00    +0.043 C 
ATOM     11  C   LIG    1        7.133  -0.349  -0.193  0.00  0.00    +0.010 C 
ATOM     12  C   LIG    1        6.123  -0.464   0.994  0.00  0.00    +0.037 C 
ATOM     13  C   LIG    1        4.816  -0.367   0.300  0.00  0.00    -0.023 A 
ATOM     14  N   LIG    1        1.292  -0.001  -0.445  0.00  0.00    -0.216 NA
ENDROOT
BRANCH   1  15
ATOM     15  S   LIG    1       -0.908   0.406   0.999  0.00  0.00    -0.078 S 
BRANCH  15  16
ATOM     16  C   LIG    1       -1.381   1.038  -0.638  0.00  0.00    +0.173 C 
BRANCH  16  18
ATOM     17  O   LIG    1       -3.169   2.594  -0.388  0.00  0.00    -0.275 OA
ATOM     18  C   LIG    1       -2.851   1.425  -0.636  0.00  0.00    +0.226 C 
ATOM     19  N   LIG    1       -3.818   0.464  -0.911  0.00  0.00    -0.296 N 
BRANCH  19  20
ATOM     20  C   LIG    1       -5.228   0.893  -0.967  0.00  0.00    +0.135 C 
BRANCH  20  21
ATOM     21  C   LIG    1       -5.828   1.240   0.405  0.00  0.00    +0.174 C 
BRANCH  21  22
ATOM     22  O   LIG    1       -5.563   2.590   0.783  0.00  0.00    -0.393 OA
ATOM     23  H   LIG    1       -4.651   2.800   0.481  0.00  0.00    +0.209 HD
ENDBRANCH  21  22
ENDBRANCH  20  21
ENDBRANCH  19  20
BRANCH  19  24
ATOM     24  C   LIG    1       -3.565  -0.986  -1.026  0.00  0.00    +0.135 C 
BRANCH  24  25
ATOM     25  C   LIG    1       -3.971  -1.780   0.222  0.00  0.00    +0.174 C 
BRANCH  25  26
ATOM     26  O   LIG    1       -5.388  -1.927   0.280  0.00  0.00    -0.393 OA
ATOM     27  H   LIG    1       -5.590  -2.418   1.096  0.00  0.00    +0.209 HD
ENDBRANCH  25  26
ENDBRANCH  24  25
ENDBRANCH  19  24
ENDBRANCH  16  18
ENDBRANCH  15  16
ENDBRANCH   1  15
TORSDOF 9