REMARK  Name = BDB049549
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.009   0.966   1.448  0.00  0.00    +0.023 A 
ATOM      2  C   LIG    1       -0.906   1.393   2.198  0.00  0.00    +0.015 A 
ATOM      3  C   LIG    1        0.299   1.715   1.565  0.00  0.00    +0.046 A 
ATOM      4  C   LIG    1        0.428   1.619   0.177  0.00  0.00    +0.121 A 
ATOM      5  C   LIG    1       -0.664   1.192  -0.575  0.00  0.00    +0.046 A 
ATOM      6  C   LIG    1       -1.873   0.869   0.056  0.00  0.00    +0.015 A 
ENDROOT
BRANCH   1  10
ATOM      7  C   LIG    1       -5.276   0.023   2.317  0.00  0.00    +0.248 A 
ATOM      8  O   LIG    1       -4.803   0.271   3.570  0.00  0.00    -0.336 OA
ATOM      9  N   LIG    1       -3.477   0.667   3.420  0.00  0.00    -0.056 NA
ATOM     10  C   LIG    1       -3.274   0.625   2.092  0.00  0.00    +0.202 A 
ATOM     11  N   LIG    1       -4.383   0.224   1.371  0.00  0.00    -0.190 NA
BRANCH   7  12
ATOM     12  C   LIG    1       -6.695  -0.426   2.208  0.00  0.00    +0.159 C 
ATOM     13  C   LIG    1       -6.794  -1.936   2.414  0.00  0.00    +0.038 C 
BRANCH  12  16
ATOM     14  C   LIG    1       -8.865   0.426  -0.792  0.00  0.00    +0.109 C 
ATOM     15  C   LIG    1       -8.536   0.057   0.628  0.00  0.00    +0.211 C 
ATOM     16  N   LIG    1       -7.195  -0.045   0.892  0.00  0.00    -0.304 N 
ATOM     17  H   LIG    1       -6.513   0.073   0.151  0.00  0.00    +0.149 HD
ATOM     18  O   LIG    1       -9.404  -0.145   1.470  0.00  0.00    -0.276 OA
ENDBRANCH  12  16
ENDBRANCH   7  12
ENDBRANCH   1  10
BRANCH   4  19
ATOM     19  O   LIG    1        1.661   1.960  -0.298  0.00  0.00    -0.492 OA
BRANCH  19  20
ATOM     20  C   LIG    1        1.890   1.961  -1.710  0.00  0.00    +0.233 C 
BRANCH  20  21
ATOM     21  C   LIG    1        2.268   0.572  -2.235  0.00  0.00    +0.076 C 
BRANCH  21  22
ATOM     22  C   LIG    1        3.664   0.154  -1.832  0.00  0.00    -0.044 A 
ATOM     23  C   LIG    1        3.907  -0.377  -0.560  0.00  0.00    +0.007 A 
ATOM     24  C   LIG    1        5.200  -0.751  -0.187  0.00  0.00    +0.049 A 
ATOM     25  C   LIG    1        6.267  -0.600  -1.076  0.00  0.00    +0.156 A 
ATOM     26  C   LIG    1        6.032  -0.068  -2.342  0.00  0.00    +0.049 A 
ATOM     27  C   LIG    1        4.738   0.309  -2.717  0.00  0.00    +0.007 A 
BRANCH  25  28
ATOM     28  O   LIG    1        7.486  -1.002  -0.593  0.00  0.00    -0.346 OA
BRANCH  28  29
ATOM     29  S   LIG    1        8.847  -0.942  -1.487  0.00  0.00    +0.118 S 
ATOM     30  O   LIG    1        8.762  -1.901  -2.570  0.00  0.00    -0.137 OA
ATOM     31  O   LIG    1        9.221   0.439  -1.716  0.00  0.00    -0.137 OA
ATOM     32  C   LIG    1        9.934  -1.606  -0.251  0.00  0.00    +0.242 C 
ENDBRANCH  28  29
ENDBRANCH  25  28
ENDBRANCH  21  22
ENDBRANCH  20  21
ENDBRANCH  19  20
ENDBRANCH   4  19
TORSDOF 9