@MOLECULE 3-(8-oxodispiro[2.1.25.13]octan-4-ylidene)tetrahydrofuran-2-one 27 30 0 0 0 SMALL USER_CHARGES @ATOM 1 C1 -0.2646 -0.1428 -0.0019 C.2 1 SEJD111111111 0.3769 2 C2 -1.4612 -1.0473 -0.0011 C.3 1 SEJD111111111 -0.0267 3 C3 -2.3575 0.1870 0.0019 C.2 1 SEJD111111111 1.5027 4 C4 -1.1300 1.0793 -0.0001 C.3 1 SEJD111111111 -0.7244 5 C5 -1.6853 -2.3277 -0.7554 C.3 1 SEJD111111111 -1.1380 6 C6 -1.6827 -2.3307 0.7489 C.3 1 SEJD111111111 0.2588 7 C7 -0.9498 2.3725 0.7515 C.3 1 SEJD111111111 -1.0146 8 C8 -0.9542 2.3741 -0.7497 C.3 1 SEJD111111111 0.2675 9 C9 1.0435 -0.3606 -0.0013 C.2 1 SEJD111111111 -0.5546 10 C10 2.0839 0.6913 -0.0011 C.2 1 SEJD111111111 1.5663 11 C11 1.7385 -1.6833 0.0020 C.3 1 SEJD111111111 -0.0436 12 C12 3.2359 -1.3123 -0.0004 C.3 1 SEJD111111111 -0.3254 13 O1 -3.5302 0.3584 0.0056 O.2 1 SEJD111111111 -1.0322 14 O2 1.9929 1.8868 -0.0078 O.2 1 SEJD111111111 -0.8491 15 O3 3.3333 0.1165 0.0076 O.3 1 SEJD111111111 -0.6011 16 H1 -0.8630 -2.7761 -1.3080 H 1 SEJD111111111 0.4186 17 H2 -2.6213 -2.4633 -1.2983 H 1 SEJD111111111 0.3019 18 H3 -0.8579 -2.7815 1.2963 H 1 SEJD111111111 -0.0321 19 H4 -2.6167 -2.4691 1.2948 H 1 SEJD111111111 0.1066 20 H5 -1.7920 2.7835 1.3059 H 1 SEJD111111111 0.4023 21 H6 -0.0125 2.5485 1.2852 H 1 SEJD111111111 0.4015 22 H7 -1.8001 2.7874 -1.2971 H 1 SEJD111111111 0.1182 23 H8 -0.0200 2.5504 -1.2890 H 1 SEJD111111111 -0.0256 24 H10 3.7672 -1.6393 -0.9084 H 1 SEJD111111111 0.1099 25 H11 1.4703 -2.2870 0.8894 H 1 SEJD111111111 0.1861 26 H12 1.4671 -2.2943 -0.8790 H 1 SEJD111111111 0.0146 27 H9 3.7725 -1.6490 0.9008 H 1 SEJD111111111 0.3356 @BOND 1 1 9 2 2 1 4 1 3 1 2 1 4 2 6 1 5 2 5 1 6 2 3 1 7 3 13 2 8 3 4 1 9 4 8 1 10 4 7 1 11 5 17 1 12 5 16 1 13 5 6 1 14 6 19 1 15 6 18 1 16 7 21 1 17 7 20 1 18 7 8 1 19 8 23 1 20 8 22 1 21 9 11 1 22 9 10 1 23 10 15 1 24 10 14 2 25 11 26 1 26 11 25 1 27 11 12 1 28 12 27 1 29 12 24 1 30 12 15 1