REMARK  Name = BDB028656
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.323  -1.197   1.424  0.00  0.00    +0.192 A 
ATOM      2  C   LIG    1        0.988  -0.676   1.283  0.00  0.00    +0.106 A 
ATOM      3  C   LIG    1        1.668  -1.666   0.599  0.00  0.00    +0.173 A 
ATOM      4  C   LIG    1        3.012  -1.596   0.240  0.00  0.00    +0.055 A 
ATOM      5  C   LIG    1        3.713  -0.437   0.625  0.00  0.00    -0.019 A 
ATOM      6  C   LIG    1        3.048   0.592   1.316  0.00  0.00    +0.052 A 
ATOM      7  O   LIG    1        0.820  -2.695   0.341  0.00  0.00    -0.353 OA
ATOM      8  C   LIG    1        1.683   0.493   1.631  0.00  0.00    +0.135 A 
ATOM      9  N   LIG    1       -0.431  -2.403   0.859  0.00  0.00    -0.060 NA
ENDROOT
BRANCH   1  10
ATOM     10  N   LIG    1       -1.360  -0.524   2.054  0.00  0.00    -0.196 N 
ATOM     11  H   LIG    1       -1.226   0.474   2.238  0.00  0.00    +0.175 HD
BRANCH  10  12
ATOM     12  S   LIG    1       -2.960  -0.983   2.012  0.00  0.00    +0.075 S 
ATOM     13  O   LIG    1       -3.734   0.104   2.580  0.00  0.00    -0.150 OA
ATOM     14  O   LIG    1       -3.078  -2.303   2.591  0.00  0.00    -0.150 OA
BRANCH  12  16
ATOM     15  C   LIG    1       -3.407   0.206  -0.422  0.00  0.00    +0.086 A 
ATOM     16  C   LIG    1       -3.356  -1.023   0.267  0.00  0.00    +0.125 A 
ATOM     17  C   LIG    1       -3.694  -2.217  -0.412  0.00  0.00    -0.023 A 
ATOM     18  C   LIG    1       -3.734  -3.578   0.229  0.00  0.00    +0.046 C 
ATOM     19  C   LIG    1       -4.039  -2.141  -1.777  0.00  0.00    +0.005 A 
ATOM     20  C   LIG    1       -4.068  -0.925  -2.455  0.00  0.00    +0.001 A 
ATOM     21  C   LIG    1       -3.756   0.249  -1.781  0.00  0.00    +0.017 A 
BRANCH  15  22
ATOM     22  C   LIG    1       -3.070   1.496   0.217  0.00  0.00    +0.341 C 
ATOM     23  O   LIG    1       -2.006   1.736   0.762  0.00  0.00    -0.245 OA
BRANCH  22  25
ATOM     24  C   LIG    1       -3.963   3.583   0.751  0.00  0.00    +0.280 C 
ATOM     25  O   LIG    1       -4.130   2.329   0.088  0.00  0.00    -0.464 OA
ENDBRANCH  22  25
ENDBRANCH  15  22
ENDBRANCH  12  16
ENDBRANCH  10  12
ENDBRANCH   1  10
BRANCH   8  26
ATOM     26  O   LIG    1        1.044   1.490   2.328  0.00  0.00    -0.494 OA
ATOM     27  C   LIG    1        0.973   2.695   1.563  0.00  0.00    +0.277 C 
ENDBRANCH   8  26
BRANCH   5  28
ATOM     28  C   LIG    1        5.179  -0.302   0.280  0.00  0.00    +0.178 C 
BRANCH  28  29
ATOM     29  N   LIG    1        5.364   0.049  -1.121  0.00  0.00    -0.267 N 
ATOM     30  N   LIG    1        5.609  -0.915  -2.033  0.00  0.00    -0.179 NA
ATOM     31  C   LIG    1        5.737  -0.240  -3.179  0.00  0.00    +0.134 A 
ATOM     32  C   LIG    1        5.589   1.147  -3.004  0.00  0.00    +0.041 A 
ATOM     33  C   LIG    1        5.355   1.307  -1.659  0.00  0.00    +0.108 A 
ENDBRANCH  28  29
ENDBRANCH   5  28
TORSDOF 8