@MOLECULE (2,2,3-trimethyl-5-oxo-3-cyclopenten-1-yl)acetic acid 27 27 0 0 0 SMALL GASTEIGER @ATOM 1 O 0.9896 -1.9586 -0.1573 O.2 1 UNL1111111111 -0.4200 2 O 3.4221 0.4985 -0.8986 O.3 1 UNL1111111111 -0.5705 3 O 2.8389 -0.1484 1.1540 O.2 1 UNL1111111111 -0.4897 4 C -1.3805 0.7367 0.0981 C.3 1 UNL1111111111 0.0711 5 C 0.0665 0.2173 0.4133 C.3 1 UNL1111111111 -0.2428 6 C -2.1808 -0.5574 -0.0830 C.2 1 UNL1111111111 0.1048 7 C 0.0256 -1.2681 0.0220 C.2 1 UNL1111111111 0.4667 8 C -1.9173 1.5609 1.2682 C.3 1 UNL1111111111 -0.4609 9 C -1.4628 1.5482 -1.1966 C.3 1 UNL1111111111 -0.4573 10 C 1.1999 0.9365 -0.3016 C.3 1 UNL1111111111 -0.3363 11 C -1.3919 -1.6446 -0.1258 C.2 1 UNL1111111111 -0.3634 12 C -3.6511 -0.5407 -0.2073 C.3 1 UNL1111111111 -0.4651 13 C 2.5189 0.3477 0.1091 C.2 1 UNL1111111111 0.6568 14 H 0.2434 0.2645 1.5194 H 1 UNL1111111111 0.1869 15 H -2.9258 1.9407 1.0683 H 1 UNL1111111111 0.1486 16 H -1.9699 0.9708 2.1906 H 1 UNL1111111111 0.1542 17 H -1.2778 2.4289 1.4689 H 1 UNL1111111111 0.1547 18 H -1.1023 0.9765 -2.0616 H 1 UNL1111111111 0.1562 19 H -2.4947 1.8472 -1.4159 H 1 UNL1111111111 0.1488 20 H -0.8745 2.4705 -1.1340 H 1 UNL1111111111 0.1533 21 H 1.0831 0.8696 -1.4074 H 1 UNL1111111111 0.1877 22 H 1.1933 2.0209 -0.0661 H 1 UNL1111111111 0.1777 23 H -1.6765 -2.6725 -0.2564 H 1 UNL1111111111 0.1816 24 H -3.9847 0.0933 -1.0442 H 1 UNL1111111111 0.1656 25 H -4.1310 -0.1446 0.7016 H 1 UNL1111111111 0.1684 26 H -4.0720 -1.5448 -0.3769 H 1 UNL1111111111 0.1662 27 H 4.2988 0.0853 -0.7022 H 1 UNL1111111111 0.3567 @BOND 1 1 7 2 2 2 13 1 3 2 27 1 4 3 13 2 5 4 5 1 6 4 6 1 7 4 8 1 8 4 9 1 9 5 7 1 10 5 10 1 11 5 14 1 12 6 11 2 13 6 12 1 14 7 11 1 15 8 15 1 16 8 16 1 17 8 17 1 18 9 18 1 19 9 19 1 20 9 20 1 21 10 13 1 22 10 21 1 23 10 22 1 24 11 23 1 25 12 24 1 26 12 25 1 27 12 26 1