REMARK  Name = BDB054840
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.081   0.544   0.153  0.00  0.00    -0.017 A 
ATOM      2  C   LIG    1       -2.026   1.530   1.148  0.00  0.00    +0.009 A 
ATOM      3  C   LIG    1       -1.309   2.712   0.946  0.00  0.00    +0.005 A 
ATOM      4  C   LIG    1       -0.632   2.937  -0.261  0.00  0.00    -0.037 A 
ATOM      5  C   LIG    1       -0.700   1.960  -1.264  0.00  0.00    +0.005 A 
ATOM      6  C   LIG    1       -1.416   0.778  -1.059  0.00  0.00    +0.009 A 
ENDROOT
BRANCH   1   8
ATOM      7  C   LIG    1       -2.299  -1.764   1.153  0.00  0.00    +0.059 A 
ATOM      8  C   LIG    1       -2.816  -0.710   0.372  0.00  0.00    -0.001 A 
ATOM      9  C   LIG    1       -4.081  -0.876  -0.221  0.00  0.00    +0.010 A 
ATOM     10  C   LIG    1       -4.814  -2.051  -0.042  0.00  0.00    +0.001 A 
ATOM     11  C   LIG    1       -4.295  -3.084   0.733  0.00  0.00    +0.001 A 
ATOM     12  C   LIG    1       -3.041  -2.943   1.328  0.00  0.00    +0.019 A 
BRANCH   7  14
ATOM     13  N   LIG    1        0.027  -1.625   2.304  0.00  0.00    -0.191 NA
ATOM     14  C   LIG    1       -1.009  -1.673   1.781  0.00  0.00    +0.100 C 
ENDBRANCH   7  14
ENDBRANCH   1   8
BRANCH   4  15
ATOM     15  C   LIG    1        0.200   4.182  -0.459  0.00  0.00    +0.114 C 
BRANCH  15  16
ATOM     16  S   LIG    1        1.785   4.116   0.430  0.00  0.00    -0.061 S 
BRANCH  16  17
ATOM     17  C   LIG    1        2.499   2.769  -0.397  0.00  0.00    +0.278 A 
ATOM     18  O   LIG    1        2.702   1.556   0.200  0.00  0.00    -0.411 OA
ATOM     19  C   LIG    1        3.174   0.803  -0.842  0.00  0.00    +0.249 A 
ATOM     20  N   LIG    1        3.281   1.496  -1.959  0.00  0.00    -0.106 NA
ATOM     21  N   LIG    1        2.835   2.770  -1.671  0.00  0.00    -0.101 NA
BRANCH  19  22
ATOM     22  C   LIG    1        3.457  -0.599  -0.580  0.00  0.00    +0.041 A 
ATOM     23  C   LIG    1        4.092  -1.374  -1.555  0.00  0.00    +0.033 A 
ATOM     24  C   LIG    1        4.333  -2.711  -1.288  0.00  0.00    +0.111 A 
ATOM     25  N   LIG    1        3.984  -3.319  -0.137  0.00  0.00    -0.263 NA
ATOM     26  C   LIG    1        3.368  -2.557   0.792  0.00  0.00    +0.111 A 
ATOM     27  C   LIG    1        3.092  -1.211   0.622  0.00  0.00    +0.033 A 
ENDBRANCH  19  22
ENDBRANCH  16  17
ENDBRANCH  15  16
ENDBRANCH   4  15
TORSDOF 6