REMARK  Name = BDB054844
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  S   LIG    1       -0.074  -3.922  -2.194  0.00  0.00    -0.061 S 
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1       -0.924  -3.555  -0.726  0.00  0.00    +0.278 A 
ATOM      3  O   LIG    1       -1.686  -2.431  -0.539  0.00  0.00    -0.411 OA
ATOM      4  C   LIG    1       -2.133  -2.598   0.745  0.00  0.00    +0.249 A 
ATOM      5  N   LIG    1       -1.709  -3.721   1.286  0.00  0.00    -0.106 NA
ATOM      6  N   LIG    1       -0.932  -4.343   0.329  0.00  0.00    -0.101 NA
BRANCH   4   7
ATOM      7  C   LIG    1       -2.975  -1.548   1.304  0.00  0.00    +0.042 A 
ATOM      8  C   LIG    1       -3.358  -0.429   0.546  0.00  0.00    +0.062 A 
ATOM      9  C   LIG    1       -4.152   0.527   1.146  0.00  0.00    +0.167 A 
ATOM     10  O   LIG    1       -4.606   1.664   0.553  0.00  0.00    -0.453 OA
ATOM     11  C   LIG    1       -5.362   2.251   1.634  0.00  0.00    +0.466 C 
ATOM     12  O   LIG    1       -5.345   1.459   2.840  0.00  0.00    -0.453 OA
ATOM     13  C   LIG    1       -4.573   0.411   2.449  0.00  0.00    +0.166 A 
ATOM     14  C   LIG    1       -4.224  -0.668   3.227  0.00  0.00    +0.050 A 
ATOM     15  C   LIG    1       -3.417  -1.654   2.646  0.00  0.00    +0.017 A 
ENDBRANCH   4   7
ENDBRANCH   1   2
BRANCH   1  16
ATOM     16  C   LIG    1        0.015  -2.290  -2.977  0.00  0.00    +0.114 C 
BRANCH  16  20
ATOM     17  C   LIG    1        2.664   0.491  -0.939  0.00  0.00    -0.018 A 
ATOM     18  C   LIG    1        3.167  -0.660  -1.563  0.00  0.00    +0.009 A 
ATOM     19  C   LIG    1        2.318  -1.555  -2.223  0.00  0.00    +0.005 A 
ATOM     20  C   LIG    1        0.937  -1.325  -2.271  0.00  0.00    -0.037 A 
ATOM     21  C   LIG    1        0.428  -0.173  -1.658  0.00  0.00    +0.005 A 
ATOM     22  C   LIG    1        1.281   0.720  -1.000  0.00  0.00    +0.009 A 
BRANCH  17  26
ATOM     23  C   LIG    1        5.272   3.224   1.096  0.00  0.00    +0.000 A 
ATOM     24  C   LIG    1        5.277   1.873   1.432  0.00  0.00    +0.001 A 
ATOM     25  C   LIG    1        4.428   0.984   0.768  0.00  0.00    +0.008 A 
ATOM     26  C   LIG    1        3.558   1.429  -0.241  0.00  0.00    -0.018 A 
ATOM     27  C   LIG    1        3.568   2.796  -0.564  0.00  0.00    +0.008 A 
ATOM     28  C   LIG    1        4.418   3.687   0.098  0.00  0.00    +0.001 A 
ENDBRANCH  17  26
ENDBRANCH  16  20
ENDBRANCH   1  16
TORSDOF 5