REMARK  Name = BDB028701
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.830  -0.579  -1.715  0.00  0.00    +0.192 A 
ATOM      2  C   LIG    1        0.515  -0.218  -1.441  0.00  0.00    +0.106 A 
ATOM      3  C   LIG    1        1.122  -1.422  -1.141  0.00  0.00    +0.173 A 
ATOM      4  C   LIG    1        2.464  -1.568  -0.804  0.00  0.00    +0.054 A 
ATOM      5  C   LIG    1        3.229  -0.392  -0.772  0.00  0.00    -0.035 A 
ATOM      6  C   LIG    1        2.634   0.852  -1.072  0.00  0.00    +0.050 A 
ATOM      7  O   LIG    1        0.206  -2.422  -1.223  0.00  0.00    -0.353 OA
ATOM      8  C   LIG    1        1.273   0.968  -1.407  0.00  0.00    +0.135 A 
ATOM      9  N   LIG    1       -1.023  -1.894  -1.579  0.00  0.00    -0.060 NA
ENDROOT
BRANCH   1  10
ATOM     10  N   LIG    1       -1.813   0.337  -2.065  0.00  0.00    -0.196 N 
ATOM     11  H   LIG    1       -1.584   1.326  -1.988  0.00  0.00    +0.175 HD
BRANCH  10  12
ATOM     12  S   LIG    1       -3.451   0.012  -2.057  0.00  0.00    +0.081 S 
ATOM     13  O   LIG    1       -4.115   1.299  -2.158  0.00  0.00    -0.150 OA
ATOM     14  O   LIG    1       -3.688  -1.007  -3.058  0.00  0.00    -0.150 OA
BRANCH  12  16
ATOM     15  C   LIG    1       -3.311   0.114   0.682  0.00  0.00    +0.150 A 
ATOM     16  C   LIG    1       -3.782  -0.602  -0.429  0.00  0.00    +0.191 A 
ATOM     17  C   LIG    1       -4.515  -1.775  -0.223  0.00  0.00    +0.150 A 
ATOM     18  C   LIG    1       -4.753  -2.234   1.079  0.00  0.00    +0.048 A 
ATOM     19  C   LIG    1       -4.237  -1.547   2.176  0.00  0.00    +0.007 A 
ATOM     20  C   LIG    1       -3.512  -0.375   1.978  0.00  0.00    +0.048 A 
BRANCH  15  22
ATOM     21  C   LIG    1       -3.358   2.407   0.939  0.00  0.00    +0.277 C 
ATOM     22  O   LIG    1       -2.592   1.272   0.524  0.00  0.00    -0.493 OA
ENDBRANCH  15  22
BRANCH  17  23
ATOM     23  O   LIG    1       -5.121  -2.441  -1.252  0.00  0.00    -0.493 OA
ATOM     24  C   LIG    1       -4.447  -3.667  -1.543  0.00  0.00    +0.277 C 
ENDBRANCH  17  23
ENDBRANCH  12  16
ENDBRANCH  10  12
ENDBRANCH   1  10
BRANCH   8  25
ATOM     25  O   LIG    1        0.621   2.137  -1.696  0.00  0.00    -0.494 OA
ATOM     26  C   LIG    1        1.386   3.336  -1.632  0.00  0.00    +0.277 C 
ENDBRANCH   8  25
BRANCH   5  27
ATOM     27  C   LIG    1        4.701  -0.453  -0.412  0.00  0.00    +0.090 C 
BRANCH  27  28
ATOM     28  C   LIG    1        5.028   0.218   0.902  0.00  0.00    +0.046 A 
ATOM     29  N   LIG    1        5.586   1.455   0.844  0.00  0.00    -0.260 NA
ATOM     30  C   LIG    1        5.870   2.064   2.016  0.00  0.00    +0.111 A 
ATOM     31  C   LIG    1        5.618   1.504   3.256  0.00  0.00    +0.020 A 
ATOM     32  C   LIG    1        5.039   0.242   3.301  0.00  0.00    +0.003 A 
ATOM     33  C   LIG    1        4.738  -0.413   2.110  0.00  0.00    +0.023 A 
ENDBRANCH  27  28
ENDBRANCH   5  27
TORSDOF 8