REMARK  Name = BDB055040
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        1.802  -0.096   0.263  0.00  0.00    -0.171 NA
ENDROOT
BRANCH   1   2
ATOM      2  S   LIG    1        2.111   1.147   1.401  0.00  0.00    +0.078 S 
ATOM      3  O   LIG    1        2.758   0.550   2.554  0.00  0.00    -0.151 OA
ATOM      4  O   LIG    1        0.896   1.922   1.558  0.00  0.00    -0.151 OA
BRANCH   2   5
ATOM      5  C   LIG    1        3.315   2.242   0.635  0.00  0.00    +0.194 A 
ATOM      6  N   LIG    1        4.049   1.707  -0.381  0.00  0.00    -0.236 NA
ATOM      7  C   LIG    1        4.930   2.543  -0.969  0.00  0.00    +0.113 A 
ATOM      8  C   LIG    1        5.095   3.872  -0.605  0.00  0.00    +0.020 A 
ATOM      9  C   LIG    1        4.312   4.386   0.426  0.00  0.00    +0.005 A 
ATOM     10  C   LIG    1        3.395   3.559   1.064  0.00  0.00    +0.049 A 
ENDBRANCH   2   5
ENDBRANCH   1   2
BRANCH   1  11
ATOM     11  C   LIG    1        2.926  -1.042   0.015  0.00  0.00    +0.113 C 
BRANCH  11  13
ATOM     12  C   LIG    1        3.487  -3.449  -0.438  0.00  0.00    +0.008 C 
ATOM     13  C   LIG    1        2.418  -2.491   0.089  0.00  0.00    -0.001 C 
ATOM     14  C   LIG    1        2.037  -2.878   1.521  0.00  0.00    +0.008 C 
ENDBRANCH  11  13
ENDBRANCH   1  11
BRANCH   1  15
ATOM     15  C   LIG    1        1.100   0.332  -0.974  0.00  0.00    +0.144 C 
BRANCH  15  16
ATOM     16  C   LIG    1       -0.409   0.353  -0.866  0.00  0.00    -0.031 A 
ATOM     17  C   LIG    1       -1.104  -0.590  -0.092  0.00  0.00    +0.016 A 
ATOM     18  C   LIG    1       -2.503  -0.584  -0.034  0.00  0.00    +0.017 A 
ATOM     19  C   LIG    1       -3.215  -1.562   0.774  0.00  0.00    +0.011 C 
ATOM     20  C   LIG    1       -4.546  -1.474   0.829  0.00  0.00    +0.020 C 
ATOM     21  C   LIG    1       -5.339  -0.417   0.093  0.00  0.00    +0.123 C 
ATOM     22  O   LIG    1       -4.582   0.440  -0.787  0.00  0.00    -0.482 OA
ATOM     23  C   LIG    1       -6.033   0.497   1.109  0.00  0.00    +0.060 C 
ATOM     24  C   LIG    1       -6.392  -1.102  -0.787  0.00  0.00    +0.060 C 
ATOM     25  C   LIG    1       -3.219   0.363  -0.766  0.00  0.00    +0.129 A 
ATOM     26  C   LIG    1       -2.542   1.295  -1.551  0.00  0.00    +0.046 A 
ATOM     27  C   LIG    1       -1.147   1.290  -1.604  0.00  0.00    +0.008 A 
ENDBRANCH  15  16
ENDBRANCH   1  15
TORSDOF 6