REMARK  Name = BDB038858
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.282  -0.869   0.271  0.00  0.00    +0.096 A 
ATOM      2  C   LIG    1       -1.192   0.020   0.854  0.00  0.00    +0.074 A 
ATOM      3  N   LIG    1       -1.304   1.390   0.750  0.00  0.00    -0.352 N 
ATOM      4  H   LIG    1       -0.702   1.974   0.186  0.00  0.00    +0.166 HD
ATOM      5  C   LIG    1       -2.349   1.862   1.506  0.00  0.00    +0.048 A 
ATOM      6  C   LIG    1       -2.952   0.758   2.105  0.00  0.00    +0.008 A 
ATOM      7  C   LIG    1       -4.069   0.969   2.938  0.00  0.00    +0.010 A 
ATOM      8  C   LIG    1       -4.538   2.272   3.142  0.00  0.00    +0.001 A 
ATOM      9  C   LIG    1       -3.913   3.355   2.529  0.00  0.00    +0.002 A 
ATOM     10  C   LIG    1       -2.805   3.171   1.696  0.00  0.00    +0.026 A 
ATOM     11  C   LIG    1       -2.231  -0.405   1.685  0.00  0.00    +0.012 A 
ATOM     12  C   LIG    1       -2.372  -1.776   1.939  0.00  0.00    +0.045 A 
ATOM     13  CA  LIG    1       -1.452  -2.605   1.318  0.00  0.00    +0.149 A 
ATOM     14  N   LIG    1       -0.436  -2.198   0.503  0.00  0.00    -0.238 NA
ENDROOT
BRANCH   1  18
ATOM     15  C   LIG    1        2.951   0.315  -2.257  0.00  0.00    +0.088 A 
ATOM     16  C   LIG    1        2.016  -0.614  -2.716  0.00  0.00    +0.027 A 
ATOM     17  C   LIG    1        0.967  -1.001  -1.878  0.00  0.00    +0.012 A 
ATOM     18  C   LIG    1        0.826  -0.457  -0.589  0.00  0.00    +0.003 A 
ATOM     19  C   LIG    1        1.781   0.480  -0.154  0.00  0.00    +0.012 A 
ATOM     20  C   LIG    1        2.836   0.872  -0.983  0.00  0.00    +0.027 A 
BRANCH  15  22
ATOM     21  C   LIG    1        5.542  -0.374  -3.015  0.00  0.00    +0.200 C 
ATOM     22  S   LIG    1        4.275   0.828  -3.327  0.00  0.00    -0.006 S 
ATOM     23  O   LIG    1        4.744   2.115  -2.849  0.00  0.00    -0.170 OA
ATOM     24  O   LIG    1        3.816   0.664  -4.692  0.00  0.00    -0.170 OA
ENDBRANCH  15  22
ENDBRANCH   1  18
BRANCH  13  25
ATOM     25  C   LIG    1       -1.527  -4.082   1.526  0.00  0.00    +0.355 C 
ATOM     26  O   LIG    1       -2.359  -4.654   2.205  0.00  0.00    -0.243 OA
BRANCH  25  27
ATOM     27  OXT LIG    1       -0.530  -4.701   0.847  0.00  0.00    -0.476 OA
ATOM     28  HXT LIG    1        0.005  -4.013   0.384  0.00  0.00    +0.295 HD
ENDBRANCH  25  27
ENDBRANCH  13  25
TORSDOF 4