@MOLECULE (1r)-3-cyclohexen-1-yl(oxo)acetic acid 21 21 0 0 0 SMALL GASTEIGER @ATOM 1 O -0.5603 -1.5501 1.0780 O.2 1 UNL1111111111 -0.3536 2 O -1.9254 1.1063 0.8675 O.3 1 UNL1111111111 -0.5352 3 O -2.8325 -0.1679 -0.7335 O.2 1 UNL1111111111 -0.4718 4 C 0.3715 -0.5473 -0.9112 C.3 1 UNL1111111111 -0.1893 5 C 0.6105 0.9500 -1.1567 C.3 1 UNL1111111111 -0.2619 6 C 1.6952 -1.2485 -0.5613 C.3 1 UNL1111111111 -0.2624 7 C 1.2056 1.6218 0.0880 C.3 1 UNL1111111111 -0.2761 8 C 2.5629 -0.4471 0.3544 C.2 1 UNL1111111111 -0.1599 9 C 2.3517 0.8404 0.6407 C.2 1 UNL1111111111 -0.1562 10 C -0.6452 -0.7629 0.1807 C.2 1 UNL1111111111 0.4029 11 C -1.9300 0.0526 0.0250 C.2 1 UNL1111111111 0.5313 12 H -0.0467 -1.0088 -1.8468 H 1 UNL1111111111 0.1698 13 H -0.3237 1.4583 -1.4595 H 1 UNL1111111111 0.1412 14 H 1.3080 1.0684 -2.0103 H 1 UNL1111111111 0.1519 15 H 2.2575 -1.4655 -1.4949 H 1 UNL1111111111 0.1508 16 H 1.4842 -2.2412 -0.1025 H 1 UNL1111111111 0.1660 17 H 0.4242 1.7326 0.8748 H 1 UNL1111111111 0.1664 18 H 1.5217 2.6554 -0.1576 H 1 UNL1111111111 0.1457 19 H 3.4009 -0.9968 0.7793 H 1 UNL1111111111 0.1427 20 H 3.0027 1.3914 1.3159 H 1 UNL1111111111 0.1415 21 H -2.7560 1.6485 0.8359 H 1 UNL1111111111 0.3562 @BOND 1 1 10 2 2 2 11 1 3 2 21 1 4 3 11 2 5 4 5 1 6 4 6 1 7 4 10 1 8 4 12 1 9 5 7 1 10 5 13 1 11 5 14 1 12 6 8 1 13 6 15 1 14 6 16 1 15 7 9 1 16 7 17 1 17 7 18 1 18 8 9 2 19 8 19 1 20 9 20 1 21 10 11 1