REMARK  Name = BDB055381
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.820  -1.120  -0.685  0.00  0.00    +0.052 A 
ATOM      2  C   LIG    1       -2.039  -0.594  -0.187  0.00  0.00    +0.028 A 
ATOM      3  C   LIG    1       -1.822   0.523   0.565  0.00  0.00    +0.090 A 
ATOM      4  N   LIG    1       -2.793   1.253   1.185  0.00  0.00    -0.316 N 
ATOM      5  H   LIG    1       -2.571   2.064   1.745  0.00  0.00    +0.169 HD
ATOM      6  C   LIG    1       -4.112   0.858   1.076  0.00  0.00    +0.264 A 
ATOM      7  C   LIG    1       -4.412  -0.362   0.239  0.00  0.00    +0.124 A 
ATOM      8  O   LIG    1       -4.984   1.492   1.663  0.00  0.00    -0.267 OA
ATOM      9  S   LIG    1       -0.214   0.972   0.697  0.00  0.00    -0.065 S 
ATOM     10  C   LIG    1       -3.388  -1.026  -0.346  0.00  0.00    +0.032 A 
ATOM     11  C   LIG    1        0.275  -0.355  -0.301  0.00  0.00    +0.083 A 
ENDROOT
BRANCH   1  12
ATOM     12  N   LIG    1       -0.724  -2.230  -1.454  0.00  0.00    -0.356 N 
ATOM     13  H   LIG    1        0.203  -2.649  -1.588  0.00  0.00    +0.142 HD
ATOM     14  H   LIG    1       -1.455  -2.934  -1.456  0.00  0.00    +0.142 HD
ENDBRANCH   1  12
BRANCH   7  15
ATOM     15  C   LIG    1       -5.803  -0.814   0.034  0.00  0.00    +0.342 C 
ATOM     16  O   LIG    1       -6.823  -0.192   0.260  0.00  0.00    -0.245 OA
BRANCH  15  17
ATOM     17  O   LIG    1       -5.888  -2.066  -0.465  0.00  0.00    -0.477 OA
ATOM     18  H   LIG    1       -6.857  -2.212  -0.527  0.00  0.00    +0.295 HD
ENDBRANCH  15  17
ENDBRANCH   7  15
BRANCH  11  19
ATOM     19  C   LIG    1        1.677  -0.608  -0.603  0.00  0.00    +0.202 C 
ATOM     20  O   LIG    1        2.105  -1.692  -1.003  0.00  0.00    -0.286 OA
BRANCH  19  21
ATOM     21  C   LIG    1        2.690   0.465  -0.458  0.00  0.00    +0.034 A 
ATOM     22  C   LIG    1        3.779   0.310   0.418  0.00  0.00    +0.066 A 
ATOM     23  C   LIG    1        4.739   1.335   0.476  0.00  0.00    +0.013 A 
ATOM     24  C   LIG    1        4.614   2.481  -0.313  0.00  0.00    +0.001 A 
ATOM     25  C   LIG    1        3.534   2.617  -1.182  0.00  0.00    +0.001 A 
ATOM     26  C   LIG    1        2.575   1.609  -1.263  0.00  0.00    +0.012 A 
BRANCH  22  27
ATOM     27  C   LIG    1        3.935  -0.921   1.274  0.00  0.00    +0.418 C 
ATOM     28  F   LIG    1        4.460  -1.979   0.603  0.00  0.00    -0.166 F 
ATOM     29  F   LIG    1        2.764  -1.343   1.825  0.00  0.00    -0.166 F 
ATOM     30  F   LIG    1        4.769  -0.714   2.335  0.00  0.00    -0.166 F 
ENDBRANCH  22  27
ENDBRANCH  19  21
ENDBRANCH  11  19
TORSDOF 6