REMARK  Name = BDB059260
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.278   0.006  -1.262  0.00  0.00    +0.259 C 
ATOM      2  N   LIG    1        1.483  -0.368  -0.692  0.00  0.00    -0.228 N 
ATOM      3  H   LIG    1        1.497  -0.627   0.298  0.00  0.00    +0.171 HD
ATOM      4  O   LIG    1        0.218   0.794  -2.202  0.00  0.00    -0.269 OA
ENDROOT
BRANCH   1   9
ATOM      5  C   LIG    1       -2.099  -2.307   0.586  0.00  0.00    +0.123 A 
ATOM      6  C   LIG    1       -3.295  -1.588   0.470  0.00  0.00    +0.073 A 
ATOM      7  C   LIG    1       -3.331  -0.365  -0.212  0.00  0.00    +0.070 A 
ATOM      8  C   LIG    1       -2.151   0.140  -0.777  0.00  0.00    +0.041 A 
ATOM      9  C   LIG    1       -0.950  -0.568  -0.649  0.00  0.00    +0.043 A 
ATOM     10  C   LIG    1       -0.927  -1.799   0.024  0.00  0.00    +0.058 A 
BRANCH   7  11
ATOM     11  N   LIG    1       -4.542   0.373  -0.340  0.00  0.00    -0.239 N 
ATOM     12  N   LIG    1       -4.563   1.562  -0.993  0.00  0.00    -0.172 NA
ATOM     13  C   LIG    1       -5.831   1.978  -0.927  0.00  0.00    +0.060 A 
ATOM     14  C   LIG    1       -6.224   3.265  -1.548  0.00  0.00    +0.067 C 
ATOM     15  C   LIG    1       -6.643   1.063  -0.232  0.00  0.00    +0.044 A 
ATOM     16  C   LIG    1       -5.794   0.046   0.133  0.00  0.00    +0.115 A 
ENDBRANCH   7  11
BRANCH   5  18
ATOM     17  C   LIG    1       -1.036  -4.266   1.431  0.00  0.00    +0.277 C 
ATOM     18  O   LIG    1       -2.216  -3.488   1.267  0.00  0.00    -0.495 OA
ENDBRANCH   5  18
ENDBRANCH   1   9
BRANCH   2  19
ATOM     19  N   LIG    1        2.696   0.482  -1.117  0.00  0.00    -0.108 NA
ATOM     20  H   LIG    1        2.430   1.132  -1.875  0.00  0.00    +0.172 HD
BRANCH  19  21
ATOM     21  S   LIG    1        3.382   1.385   0.165  0.00  0.00    +0.076 S 
ATOM     22  O   LIG    1        3.262   2.778  -0.206  0.00  0.00    -0.152 OA
ATOM     23  O   LIG    1        2.832   0.880   1.408  0.00  0.00    -0.152 OA
BRANCH  21  24
ATOM     24  C   LIG    1        5.075   0.928   0.071  0.00  0.00    +0.142 A 
ATOM     25  C   LIG    1        5.432  -0.388   0.335  0.00  0.00    +0.150 A 
ATOM     26  F   LIG    1        4.510  -1.313   0.637  0.00  0.00    -0.203 F 
ATOM     27  C   LIG    1        6.768  -0.774   0.280  0.00  0.00    +0.040 A 
ATOM     28  C   LIG    1        7.750   0.165  -0.038  0.00  0.00    +0.003 A 
ATOM     29  C   LIG    1        7.393   1.490  -0.300  0.00  0.00    +0.002 A 
ATOM     30  C   LIG    1        6.053   1.877  -0.244  0.00  0.00    +0.031 A 
ENDBRANCH  21  24
ENDBRANCH  19  21
ENDBRANCH   2  19
TORSDOF 6