REMARK  Name = BDB055383
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.008  -1.126   0.325  0.00  0.00    +0.052 A 
ATOM      2  C   LIG    1        1.243  -0.477   0.070  0.00  0.00    +0.028 A 
ATOM      3  C   LIG    1        1.096   0.528  -0.842  0.00  0.00    +0.090 A 
ATOM      4  N   LIG    1        2.101   1.333  -1.297  0.00  0.00    -0.316 N 
ATOM      5  H   LIG    1        1.921   2.081  -1.953  0.00  0.00    +0.169 HD
ATOM      6  C   LIG    1        3.380   1.166  -0.804  0.00  0.00    +0.264 A 
ATOM      7  C   LIG    1        3.601   0.042   0.174  0.00  0.00    +0.124 A 
ATOM      8  O   LIG    1        4.272   1.937  -1.147  0.00  0.00    -0.267 OA
ATOM      9  S   LIG    1       -0.467   0.730  -1.409  0.00  0.00    -0.065 S 
ATOM     10  C   LIG    1        2.554  -0.710   0.580  0.00  0.00    +0.032 A 
ATOM     11  C   LIG    1       -1.040  -0.534  -0.372  0.00  0.00    +0.083 A 
ENDROOT
BRANCH   1  12
ATOM     12  N   LIG    1       -0.142  -2.184   1.156  0.00  0.00    -0.356 N 
ATOM     13  H   LIG    1       -0.983  -2.761   1.083  0.00  0.00    +0.142 HD
ATOM     14  H   LIG    1        0.658  -2.736   1.452  0.00  0.00    +0.142 HD
ENDBRANCH   1  12
BRANCH   7  15
ATOM     15  C   LIG    1        4.915  -0.300   0.737  0.00  0.00    +0.342 C 
ATOM     16  O   LIG    1        5.106  -0.846   1.812  0.00  0.00    -0.245 OA
BRANCH  15  17
ATOM     17  O   LIG    1        5.938  -0.028  -0.085  0.00  0.00    -0.477 OA
ATOM     18  H   LIG    1        6.741  -0.290   0.410  0.00  0.00    +0.295 HD
ENDBRANCH  15  17
ENDBRANCH   7  15
BRANCH  11  19
ATOM     19  C   LIG    1       -2.439  -0.942  -0.384  0.00  0.00    +0.208 C 
ATOM     20  O   LIG    1       -2.757  -2.131  -0.430  0.00  0.00    -0.285 OA
BRANCH  19  21
ATOM     21  C   LIG    1       -3.453   0.109  -0.335  0.00  0.00    +0.060 A 
ATOM     22  S   LIG    1       -3.273   1.523   0.622  0.00  0.00    -0.093 S 
ATOM     23  C   LIG    1       -4.814   2.110   0.171  0.00  0.00    +0.046 A 
ATOM     24  C   LIG    1       -5.479   1.233  -0.654  0.00  0.00    +0.008 A 
ATOM     25  C   LIG    1       -4.703   0.071  -0.929  0.00  0.00    +0.019 A 
ENDBRANCH  19  21
ENDBRANCH  11  19
TORSDOF 5