REMARK  Name = BDB054966
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  S   LIG    1       -1.545   0.288   1.547  0.00  0.00    -0.086 S 
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1        0.160   0.231   1.156  0.00  0.00    +0.136 A 
ATOM      3  S   LIG    1        1.351  -0.085   2.342  0.00  0.00    -0.061 S 
ATOM      4  C   LIG    1        2.577   0.056   1.141  0.00  0.00    +0.043 A 
ATOM      5  C   LIG    1        1.976   0.344  -0.086  0.00  0.00    +0.080 A 
ATOM      6  C   LIG    1        2.798   0.503  -1.218  0.00  0.00    +0.032 A 
ATOM      7  C   LIG    1        4.189   0.372  -1.099  0.00  0.00    +0.048 A 
ATOM      8  C   LIG    1        4.771   0.085   0.134  0.00  0.00    +0.122 A 
ATOM      9  C   LIG    1        3.968  -0.077   1.270  0.00  0.00    +0.062 A 
ATOM     10  N   LIG    1        0.595   0.446  -0.062  0.00  0.00    -0.233 NA
BRANCH   8  11
ATOM     11  O   LIG    1        6.111  -0.065   0.371  0.00  0.00    -0.492 OA
BRANCH  11  12
ATOM     12  C   LIG    1        6.994   0.082  -0.740  0.00  0.00    +0.225 C 
ATOM     13  C   LIG    1        8.412  -0.127  -0.241  0.00  0.00    +0.048 C 
ENDBRANCH  11  12
ENDBRANCH   8  11
ENDBRANCH   1   2
BRANCH   1  14
ATOM     14  C   LIG    1       -2.299   0.096  -0.117  0.00  0.00    +0.140 C 
BRANCH  14  15
ATOM     15  C   LIG    1       -3.761   0.563  -0.149  0.00  0.00    +0.245 C 
ATOM     16  N   LIG    1       -4.249   1.239   0.983  0.00  0.00    -0.189 N 
ATOM     17  H   LIG    1       -3.639   1.385   1.786  0.00  0.00    +0.176 HD
ATOM     18  O   LIG    1       -4.462   0.413  -1.144  0.00  0.00    -0.273 OA
BRANCH  16  19
ATOM     19  S   LIG    1       -5.848   1.513   1.307  0.00  0.00    +0.042 S 
ATOM     20  O   LIG    1       -5.859   2.174   2.596  0.00  0.00    -0.155 OA
ATOM     21  O   LIG    1       -6.583   0.287   1.100  0.00  0.00    -0.155 OA
ATOM     22  C   LIG    1       -6.314   2.714   0.077  0.00  0.00    +0.218 C 
ENDBRANCH  16  19
ENDBRANCH  14  15
BRANCH  14  23
ATOM     23  C   LIG    1       -2.154  -1.326  -0.697  0.00  0.00    +0.024 C 
BRANCH  23  25
ATOM     24  C   LIG    1       -3.991  -2.533   0.639  0.00  0.00    +0.004 C 
ATOM     25  C   LIG    1       -2.538  -2.517   0.193  0.00  0.00    -0.002 C 
ENDBRANCH  23  25
ENDBRANCH  14  23
ENDBRANCH   1  14
TORSDOF 8