@MOLECULE C9H8O4 21 21 1 0 0 SMALL NO_CHARGES @ATOM 1 C1 2.1537 1.0170 -0.0118 C.ar 1 <1> 0.0000 2 C2 -0.5447 1.6750 0.0866 C.ar 1 <1> 0.0000 3 C3 1.7613 2.3376 0.0151 C.ar 1 <1> 0.0000 4 C4 0.4163 2.6663 0.0644 C.ar 1 <1> 0.0000 5 C5 -3.4665 -1.3767 0.1331 C.3 1 <1> 0.0000 6 C6 1.1916 0.0038 0.0102 C.ar 1 <1> 0.0000 7 C7 -0.1681 0.3407 0.0596 C.ar 1 <1> 0.0000 8 O1 0.7648 -2.2896 -0.0009 O.2 1 <1> 0.0000 9 O2 -2.7331 0.8246 -0.2772 O.2 1 <1> 0.0000 10 O3 2.9125 -1.7309 -0.0668 O.3 1 <1> 0.0000 11 C8 1.6043 -1.4115 -0.0193 C.2 1 <1> 0.0000 12 C9 -2.4107 -0.3146 -0.0360 C.2 1 <1> 0.0000 13 O4 -1.1116 -0.6345 0.0814 O.3 1 <1> 0.0000 14 H1 3.1831 -2.6591 -0.0862 H 1 <1> 0.0000 15 H2 3.2031 0.7654 -0.0543 H 1 <1> 0.0000 16 H3 -1.5912 1.9392 0.1246 H 1 <1> 0.0000 17 H4 2.5056 3.1200 -0.0019 H 1 <1> 0.0000 18 H5 0.1177 3.7039 0.0852 H 1 <1> 0.0000 19 H6 -3.7624 -1.4313 1.1807 H 1 <1> 0.0000 20 H7 -4.3344 -1.1266 -0.4770 H 1 <1> 0.0000 21 H8 -3.0662 -2.3403 -0.1821 H 1 <1> 0.0000 @BOND 1 6 7 ar 2 6 1 ar 3 6 11 1 4 7 2 ar 5 7 13 1 6 1 3 ar 7 11 10 1 8 11 8 2 9 2 4 ar 10 13 12 1 11 12 5 1 12 12 9 2 13 3 4 ar 14 1 15 1 15 2 16 1 16 3 17 1 17 10 14 1 18 4 18 1 19 5 19 1 20 5 20 1 21 5 21 1