REMARK  Name = BDB015339
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        0.904  -4.475   0.071  0.00  0.00    -0.150 OA
ATOM      2  S   LIG    1        0.402  -3.139   0.338  0.00  0.00    +0.077 S 
ATOM      3  O   LIG    1       -0.509  -2.924   1.442  0.00  0.00    -0.150 OA
ENDROOT
BRANCH   2   4
ATOM      4  C   LIG    1        1.823  -2.097   0.609  0.00  0.00    +0.109 A 
ATOM      5  C   LIG    1        3.083  -2.503   0.168  0.00  0.00    +0.029 A 
ATOM      6  C   LIG    1        4.197  -1.689   0.407  0.00  0.00    +0.012 A 
ATOM      7  C   LIG    1        4.080  -0.466   1.097  0.00  0.00    +0.000 A 
ATOM      8  C   LIG    1        2.799  -0.106   1.561  0.00  0.00    +0.012 A 
ATOM      9  C   LIG    1        1.680  -0.912   1.329  0.00  0.00    +0.029 A 
BRANCH   7  10
ATOM     10  C   LIG    1        5.246   0.409   1.354  0.00  0.00    +0.071 A 
ATOM     11  N   LIG    1        5.178   1.165   2.481  0.00  0.00    -0.255 NA
ATOM     12  C   LIG    1        6.218   1.978   2.766  0.00  0.00    +0.111 A 
ATOM     13  C   LIG    1        7.345   2.094   1.974  0.00  0.00    +0.020 A 
ATOM     14  C   LIG    1        7.407   1.330   0.817  0.00  0.00    +0.004 A 
ATOM     15  C   LIG    1        6.349   0.480   0.501  0.00  0.00    +0.028 A 
ENDBRANCH   7  10
ENDBRANCH   2   4
BRANCH   2  16
ATOM     16  N   LIG    1       -0.238  -2.542  -1.100  0.00  0.00    -0.172 N 
ATOM     17  C   LIG    1       -0.767  -1.262  -1.328  0.00  0.00    +0.201 C 
ATOM     18  N   LIG    1       -0.679  -0.846  -2.552  0.00  0.00    -0.253 NA
ATOM     19  C   LIG    1       -0.085  -1.959  -3.332  0.00  0.00    +0.166 C 
ATOM     20  C   LIG    1        0.419  -2.997  -2.333  0.00  0.00    +0.158 C 
BRANCH  17  21
ATOM     21  N   LIG    1       -1.315  -0.574  -0.283  0.00  0.00    -0.300 N 
ATOM     22  C   LIG    1       -1.203   0.902  -0.317  0.00  0.00    +0.123 C 
ATOM     23  C   LIG    1       -2.538   1.561  -0.708  0.00  0.00    +0.103 C 
ATOM     24  N   LIG    1       -3.622   1.327   0.284  0.00  0.00    -0.296 NA
ATOM     25  C   LIG    1       -3.406   0.027   0.974  0.00  0.00    +0.103 C 
ATOM     26  C   LIG    1       -2.663  -1.035   0.139  0.00  0.00    +0.123 C 
BRANCH  24  27
ATOM     27  C   LIG    1       -4.935   1.326  -0.399  0.00  0.00    +0.057 C 
ATOM     28  C   LIG    1       -6.061   1.563   0.648  0.00  0.00    +0.019 C 
ATOM     29  C   LIG    1       -5.912   3.078   0.415  0.00  0.00    +0.003 C 
ATOM     30  C   LIG    1       -5.276   2.741  -0.946  0.00  0.00    +0.019 C 
ENDBRANCH  24  27
ENDBRANCH  17  21
ENDBRANCH   2  16
TORSDOF 5