REMARK  Name = BDB049411
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.534   0.492  -1.608  0.00  0.00    +0.173 C 
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1       -1.195   0.376  -0.239  0.00  0.00    +0.228 C 
ATOM      3  N   LIG    1       -2.576   0.383  -0.297  0.00  0.00    -0.284 N 
ATOM      4  H   LIG    1       -2.998   0.429  -1.229  0.00  0.00    +0.155 HD
ATOM      5  O   LIG    1       -0.514   0.272   0.780  0.00  0.00    -0.275 OA
BRANCH   3   6
ATOM      6  C   LIG    1       -3.514   0.295   0.765  0.00  0.00    +0.047 A 
ATOM      7  C   LIG    1       -4.902   0.282   0.473  0.00  0.00    +0.080 A 
ATOM      8  C   LIG    1       -5.837   0.195   1.521  0.00  0.00    +0.017 A 
ATOM      9  C   LIG    1       -5.413   0.122   2.846  0.00  0.00    +0.001 A 
ATOM     10  C   LIG    1       -4.054   0.137   3.136  0.00  0.00    +0.002 A 
ATOM     11  C   LIG    1       -3.113   0.223   2.106  0.00  0.00    +0.024 A 
BRANCH   7  12
ATOM     12  C   LIG    1       -5.376   0.362  -0.944  0.00  0.00    +0.341 C 
ATOM     13  O   LIG    1       -4.618   0.488  -1.896  0.00  0.00    -0.245 OA
BRANCH  12  14
ATOM     14  O   LIG    1       -6.726   0.274  -1.022  0.00  0.00    -0.464 OA
ATOM     15  C   LIG    1       -7.243   0.336  -2.353  0.00  0.00    +0.280 C 
ENDBRANCH  12  14
ENDBRANCH   7  12
ENDBRANCH   3   6
ENDBRANCH   1   2
BRANCH   1  16
ATOM     16  S   LIG    1        0.272  -1.075  -2.037  0.00  0.00    -0.079 S 
BRANCH  16  23
ATOM     17  C   LIG    1        6.082  -0.463   0.145  0.00  0.00    +0.029 A 
ATOM     18  C   LIG    1        5.314  -0.725  -1.006  0.00  0.00    +0.052 A 
ATOM     19  C   LIG    1        3.913  -0.752  -0.927  0.00  0.00    +0.092 A 
ATOM     20  C   LIG    1        3.302  -0.554   0.305  0.00  0.00    +0.067 A 
ATOM     21  N   LIG    1        1.962  -0.649   0.037  0.00  0.00    -0.333 N 
ATOM     22  H   LIG    1        1.199  -0.538   0.695  0.00  0.00    +0.168 HD
ATOM     23  C   LIG    1        1.822  -0.877  -1.302  0.00  0.00    +0.168 A 
ATOM     24  C   LIG    1        4.015  -0.332   1.481  0.00  0.00    +0.029 A 
ATOM     25  N   LIG    1        2.977  -0.954  -1.916  0.00  0.00    -0.222 NA
ATOM     26  C   LIG    1        5.415  -0.307   1.371  0.00  0.00    +0.025 A 
BRANCH  17  28
ATOM     27  C   LIG    1        8.299   0.120   1.050  0.00  0.00    +0.125 C 
ATOM     28  N   LIG    1        7.479  -0.507   0.029  0.00  0.00    -0.347 N 
ATOM     29  H   LIG    1        7.781  -0.276  -0.915  0.00  0.00    +0.146 HD
ENDBRANCH  17  28
ENDBRANCH  16  23
ENDBRANCH   1  16
TORSDOF 7