@MOLECULE (3as,6as)-hexahydro-1(2h)-pentalenone 21 22 0 0 0 SMALL USER_CHARGES @ATOM 1 C -0.6061 0.9419 -0.5861 C.3 1 UNL111111111 -0.0014 2 C -0.0186 -0.4833 -0.7427 C.3 1 UNL111111111 0.0175 3 C 0.5508 1.8572 -0.1345 C.3 1 UNL111111111 -0.4420 4 C 1.6466 0.9487 0.4362 C.3 1 UNL111111111 -0.4325 5 C 1.3039 -0.4551 -0.0046 C.2 1 UNL111111111 0.2886 6 O 1.9901 -1.4172 0.2078 O.2 1 UNL111111111 -0.3206 7 C -1.0099 -1.4688 -0.1031 C.3 1 UNL111111111 -0.4976 8 C -1.7255 0.8133 0.4633 C.3 1 UNL111111111 -0.4227 9 C -2.2232 -0.6367 0.3509 C.3 1 UNL111111111 -0.1828 10 H -1.0306 1.3004 -1.5448 H 1 UNL111111111 0.1013 11 H 0.1610 -0.7369 -1.8080 H 1 UNL111111111 0.0998 12 H 0.2105 2.6008 0.6039 H 1 UNL111111111 0.1749 13 H 0.9340 2.4394 -0.9910 H 1 UNL111111111 0.1699 14 H 1.6876 0.9925 1.5410 H 1 UNL111111111 0.2244 15 H 2.6561 1.2353 0.0921 H 1 UNL111111111 0.1848 16 H -0.5495 -1.9961 0.7525 H 1 UNL111111111 0.2381 17 H -1.3066 -2.2572 -0.8135 H 1 UNL111111111 0.1721 18 H -2.5320 1.5410 0.2931 H 1 UNL111111111 0.1342 19 H -1.3381 1.0089 1.4782 H 1 UNL111111111 0.2257 20 H -3.0414 -0.7110 -0.3856 H 1 UNL111111111 0.1362 21 H -2.6312 -1.0010 1.3061 H 1 UNL111111111 0.1321 @BOND 1 11 2 1 2 10 1 1 3 13 3 1 4 17 7 1 5 2 1 1 6 2 7 1 7 2 5 1 8 1 3 1 9 1 8 1 10 20 9 1 11 3 4 1 12 3 12 1 13 7 9 1 14 7 16 1 15 5 6 2 16 5 4 1 17 15 4 1 18 18 8 1 19 9 8 1 20 9 21 1 21 4 14 1 22 8 19 1