REMARK  Name = LIG000976
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C1*   U A  1        0.163   0.353  -1.055  0.00  0.00    +0.226 C 
ATOM      2  O4*   U A  1       -1.145   0.733  -0.583  0.00  0.00    -0.348 OA
ATOM      3  C4*   U A  1       -2.059  -0.342  -0.897  0.00  0.00    +0.175 C 
ATOM      4  C3*   U A  1       -1.211  -1.604  -0.904  0.00  0.00    +0.150 C 
ATOM      5  C2*   U A  1        0.078  -1.108  -1.518  0.00  0.00    +0.088 C 
ENDROOT
BRANCH   1  12
ATOM      6  O4    U A  1        4.061   1.218   2.686  0.00  0.00    -0.268 OA
ATOM      7  C4    U A  1        3.181   1.027   1.856  0.00  0.00    +0.254 A 
ATOM      8  N3    U A  1        3.437   0.723   0.552  0.00  0.00    -0.275 N 
ATOM      9  H3    U A  1        4.404   0.667   0.275  0.00  0.00    +0.173 HD
ATOM     10  C2    U A  1        2.502   0.501  -0.423  0.00  0.00    +0.331 A 
ATOM     11  O2    U A  1        2.852   0.248  -1.574  0.00  0.00    -0.246 OA
ATOM     12  N1    U A  1        1.171   0.575  -0.017  0.00  0.00    -0.274 N 
ATOM     13  C6    U A  1        0.835   0.896   1.285  0.00  0.00    +0.098 A 
ATOM     14  C5    U A  1        1.760   1.119   2.221  0.00  0.00    +0.088 A 
ENDBRANCH   1  12
BRANCH   4  15
ATOM     15  O3*   U A  1       -0.969  -2.114   0.405  0.00  0.00    -0.389 OA
ATOM     16  H3*   U A  1       -0.435  -1.469   0.900  0.00  0.00    +0.210 HD
ENDBRANCH   4  15
BRANCH   3  17
ATOM     17  C5*   U A  1       -3.202  -0.336   0.110  0.00  0.00    +0.190 C 
BRANCH  17  18
ATOM     18  O5*   U A  1       -3.944   0.878  -0.021  0.00  0.00    -0.392 OA
ATOM     19  H5*   U A  1       -3.286   1.599  -0.012  0.00  0.00    +0.210 HD
ENDBRANCH  17  18
ENDBRANCH   3  17
TORSDOF 4