REMARK  Name = BDB055394
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.400  -0.244   0.745  0.00  0.00    +0.083 A 
ATOM      2  C   LIG    1       -1.635   0.065   1.304  0.00  0.00    +0.052 A 
ATOM      3  C   LIG    1       -2.689  -0.057   0.364  0.00  0.00    +0.028 A 
ATOM      4  C   LIG    1       -2.225  -0.485  -0.845  0.00  0.00    +0.090 A 
ATOM      5  N   LIG    1       -2.995  -0.709  -1.949  0.00  0.00    -0.316 N 
ATOM      6  H   LIG    1       -2.595  -1.042  -2.815  0.00  0.00    +0.169 HD
ATOM      7  C   LIG    1       -4.359  -0.506  -1.875  0.00  0.00    +0.264 A 
ATOM      8  C   LIG    1       -4.926  -0.013  -0.565  0.00  0.00    +0.124 A 
ATOM      9  O   LIG    1       -5.060  -0.742  -2.855  0.00  0.00    -0.267 OA
ATOM     10  C   LIG    1       -4.089   0.186   0.479  0.00  0.00    +0.032 A 
ATOM     11  S   LIG    1       -0.571  -0.745  -0.903  0.00  0.00    -0.065 S 
ENDROOT
BRANCH   2  12
ATOM     12  N   LIG    1       -1.797   0.450   2.591  0.00  0.00    -0.356 N 
ATOM     13  H   LIG    1       -1.026   0.281   3.245  0.00  0.00    +0.142 HD
ATOM     14  H   LIG    1       -2.698   0.365   3.052  0.00  0.00    +0.142 HD
ENDBRANCH   2  12
BRANCH   1  15
ATOM     15  C   LIG    1        0.893  -0.261   1.416  0.00  0.00    +0.202 C 
ATOM     16  O   LIG    1        1.011  -0.452   2.628  0.00  0.00    -0.286 OA
BRANCH  15  20
ATOM     17  C   LIG    1        4.572   0.395  -0.695  0.00  0.00    +0.120 A 
ATOM     18  C   LIG    1        4.467  -0.627   0.249  0.00  0.00    +0.046 A 
ATOM     19  C   LIG    1        3.261  -0.833   0.929  0.00  0.00    +0.015 A 
ATOM     20  C   LIG    1        2.151  -0.026   0.657  0.00  0.00    +0.023 A 
ATOM     21  C   LIG    1        2.260   1.014  -0.271  0.00  0.00    +0.015 A 
ATOM     22  C   LIG    1        3.467   1.214  -0.947  0.00  0.00    +0.046 A 
BRANCH  17  24
ATOM     23  C   LIG    1        6.844  -0.092  -1.203  0.00  0.00    +0.277 C 
ATOM     24  O   LIG    1        5.685   0.702  -1.427  0.00  0.00    -0.495 OA
ENDBRANCH  17  24
ENDBRANCH  15  20
ENDBRANCH   1  15
BRANCH   8  25
ATOM     25  C   LIG    1       -6.368   0.274  -0.427  0.00  0.00    +0.342 C 
ATOM     26  O   LIG    1       -7.186   0.399  -1.319  0.00  0.00    -0.245 OA
BRANCH  25  27
ATOM     27  O   LIG    1       -6.764   0.406   0.857  0.00  0.00    -0.477 OA
ATOM     28  H   LIG    1       -7.727   0.580   0.772  0.00  0.00    +0.295 HD
ENDBRANCH  25  27
ENDBRANCH   8  25
TORSDOF 6