REMARK  Name = BDB047177
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.826  -0.267  -0.798  0.00  0.00    +0.048 A 
ATOM      2  C   LIG    1       -0.856   0.493  -0.142  0.00  0.00    +0.028 A 
ATOM      3  C   LIG    1        0.077  -0.127   0.704  0.00  0.00    -0.040 A 
ATOM      4  C   LIG    1       -0.003  -1.515   0.894  0.00  0.00    +0.004 A 
ATOM      5  C   LIG    1       -0.978  -2.269   0.239  0.00  0.00    +0.002 A 
ATOM      6  C   LIG    1       -1.892  -1.645  -0.607  0.00  0.00    +0.024 A 
ENDROOT
BRANCH   1   7
ATOM      7  N   LIG    1       -2.786   0.359  -1.645  0.00  0.00    -0.221 N 
ATOM      8  H   LIG    1       -2.398   1.006  -2.334  0.00  0.00    +0.173 HD
BRANCH   7   9
ATOM      9  S   LIG    1       -4.117   1.096  -0.899  0.00  0.00    +0.043 S 
ATOM     10  O   LIG    1       -3.769   1.492   0.447  0.00  0.00    -0.155 OA
ATOM     11  O   LIG    1       -4.590   2.067  -1.864  0.00  0.00    -0.155 OA
BRANCH   9  13
ATOM     12  C   LIG    1       -6.628   0.198  -0.304  0.00  0.00    +0.030 C 
ATOM     13  C   LIG    1       -5.289  -0.255  -0.850  0.00  0.00    +0.185 C 
ENDBRANCH   9  13
ENDBRANCH   7   9
ENDBRANCH   1   7
BRANCH   3  14
ATOM     14  C   LIG    1        1.105   0.698   1.444  0.00  0.00    +0.093 C 
BRANCH  14  15
ATOM     15  C   LIG    1        2.527   0.170   1.292  0.00  0.00    +0.074 A 
ATOM     16  C   LIG    1        3.292   0.434   0.046  0.00  0.00    +0.011 A 
ATOM     17  C   LIG    1        4.579  -0.095  -0.034  0.00  0.00    +0.050 A 
ATOM     18  C   LIG    1        5.365   0.106  -1.175  0.00  0.00    +0.014 A 
ATOM     19  C   LIG    1        4.859   0.844  -2.244  0.00  0.00    +0.001 A 
ATOM     20  C   LIG    1        3.573   1.377  -2.170  0.00  0.00    +0.001 A 
ATOM     21  C   LIG    1        5.110  -0.869   1.099  0.00  0.00    +0.272 A 
ATOM     22  O   LIG    1        6.236  -1.354   1.072  0.00  0.00    -0.266 OA
ATOM     23  N   LIG    1        4.274  -1.010   2.179  0.00  0.00    -0.242 N 
ATOM     24  H   LIG    1        4.624  -1.539   2.972  0.00  0.00    +0.192 HD
ATOM     25  C   LIG    1        2.789   1.175  -1.030  0.00  0.00    +0.010 A 
ATOM     26  N   LIG    1        3.013  -0.514   2.288  0.00  0.00    -0.175 NA
ENDBRANCH  14  15
ENDBRANCH   3  14
TORSDOF 5