REMARK  Name = BDB028502
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.218   1.641  -1.616  0.00  0.00    +0.138 C 
ENDROOT
BRANCH   1  13
ATOM      2  O   LIG    1       -2.528   2.257  -0.207  0.00  0.00    -0.253 OA
ATOM      3  C   LIG    1       -2.085   1.115  -0.120  0.00  0.00    +0.302 C 
ATOM      4  N   LIG    1       -2.699   0.134   0.644  0.00  0.00    -0.284 N 
ATOM      5  C   LIG    1       -3.924   0.494   1.359  0.00  0.00    +0.132 C 
ATOM      6  C   LIG    1       -5.163   0.492   0.488  0.00  0.00    +0.185 C 
ATOM      7  S   LIG    1       -5.513  -1.111  -0.195  0.00  0.00    -0.029 S 
ATOM      8  O   LIG    1       -5.434  -2.102   0.862  0.00  0.00    -0.174 OA
ATOM      9  O   LIG    1       -6.731  -0.981  -0.974  0.00  0.00    -0.174 OA
ATOM     10  C   LIG    1       -4.182  -1.385  -1.347  0.00  0.00    +0.167 C 
ATOM     11  C   LIG    1       -2.904  -1.949  -0.743  0.00  0.00    +0.042 C 
ATOM     12  C   LIG    1       -2.404  -1.295   0.546  0.00  0.00    +0.111 C 
ATOM     13  N   LIG    1       -0.974   0.706  -0.802  0.00  0.00    -0.297 N 
ATOM     14  H   LIG    1       -0.375   0.064  -0.298  0.00  0.00    +0.150 HD
ENDBRANCH   1  13
BRANCH   1  15
ATOM     15  C   LIG    1        0.547   2.719  -0.824  0.00  0.00    +0.146 C 
BRANCH  15  16
ATOM     16  O   LIG    1        1.555   3.294  -1.669  0.00  0.00    -0.389 OA
ATOM     17  H   LIG    1        1.882   4.093  -1.221  0.00  0.00    +0.210 HD
ENDBRANCH  15  16
BRANCH  15  18
ATOM     18  C   LIG    1        1.180   2.221   0.504  0.00  0.00    +0.117 C 
BRANCH  18  19
ATOM     19  N   LIG    1        1.835   0.894   0.464  0.00  0.00    -0.295 NA
ATOM     20  C   LIG    1        3.029   0.906  -0.410  0.00  0.00    +0.120 C 
ATOM     21  C   LIG    1        3.845  -0.369  -0.340  0.00  0.00    -0.030 A 
ATOM     22  C   LIG    1        3.730  -1.247   0.752  0.00  0.00    -0.042 A 
ATOM     23  C   LIG    1        4.516  -2.406   0.803  0.00  0.00    +0.004 A 
ATOM     24  C   LIG    1        5.432  -2.680  -0.212  0.00  0.00    +0.000 A 
ATOM     25  C   LIG    1        5.564  -1.803  -1.287  0.00  0.00    +0.000 A 
ATOM     26  C   LIG    1        2.716  -0.971   1.831  0.00  0.00    +0.051 C 
ATOM     27  C   LIG    1        4.778  -0.652  -1.349  0.00  0.00    +0.005 A 
ATOM     28  C   LIG    1        2.233   0.484   1.823  0.00  0.00    +0.089 C 
ENDBRANCH  18  19
ENDBRANCH  15  18
ENDBRANCH   1  15
TORSDOF 5