@MOLECULE (1r)-3-allyl-2-methyl-4-oxo-2-cyclopenten-1-yl (1r,3r)-2,2-dimethyl-3-(2-methyl-1-propen-1-yl)cyclopropanecarboxylate 48 49 0 0 0 SMALL GASTEIGER @ATOM 1 O -0.5020 -0.2191 -0.1282 O.3 1 UNL1111111111 -0.4303 2 O 0.7428 0.1809 -1.9529 O.2 1 UNL1111111111 -0.5173 3 O -3.8439 2.7932 -0.2623 O.2 1 UNL1111111111 -0.4376 4 C 2.9286 -1.3015 -0.2140 C.3 1 UNL1111111111 0.0912 5 C 3.1707 0.2000 -0.1913 C.3 1 UNL1111111111 -0.1344 6 C 1.7900 -0.3421 0.1650 C.3 1 UNL1111111111 -0.3330 7 C 2.8960 -2.0033 -1.5452 C.3 1 UNL1111111111 -0.4614 8 C 3.4828 -2.1615 0.8926 C.3 1 UNL1111111111 -0.4458 9 C 3.9922 0.8252 0.8585 C.2 1 UNL1111111111 -0.2471 10 C 0.6889 -0.0975 -0.7817 C.2 1 UNL1111111111 0.6324 11 C 5.3291 0.9015 0.7871 C.2 1 UNL1111111111 0.0818 12 C -1.6800 0.0034 -0.8978 C.3 1 UNL1111111111 0.1192 13 C 6.1327 1.5556 1.8613 C.3 1 UNL1111111111 -0.4614 14 C 6.1094 0.3542 -0.3608 C.3 1 UNL1111111111 -0.4620 15 C -1.9504 1.5118 -1.0532 C.3 1 UNL1111111111 -0.4312 16 C -2.8151 -0.5210 -0.0263 C.2 1 UNL1111111111 0.0548 17 C -3.7010 0.4496 0.2636 C.2 1 UNL1111111111 -0.1778 18 C -3.2651 1.7448 -0.3317 C.2 1 UNL1111111111 0.4775 19 C -2.8159 -1.9336 0.3820 C.3 1 UNL1111111111 -0.4526 20 C -4.9465 0.3702 1.0599 C.3 1 UNL1111111111 -0.2767 21 C -5.9047 -0.6248 0.4804 C.2 1 UNL1111111111 -0.0873 22 C -6.5496 -1.5285 1.2171 C.2 1 UNL1111111111 -0.3557 23 H 3.2681 0.7080 -1.1666 H 1 UNL1111111111 0.1803 24 H 1.4730 -0.3254 1.2178 H 1 UNL1111111111 0.1963 25 H 2.4967 -1.3662 -2.3504 H 1 UNL1111111111 0.1748 26 H 3.9029 -2.3122 -1.8544 H 1 UNL1111111111 0.1543 27 H 2.2695 -2.9040 -1.5090 H 1 UNL1111111111 0.1560 28 H 2.8553 -3.0457 1.0614 H 1 UNL1111111111 0.1541 29 H 4.4955 -2.5114 0.6518 H 1 UNL1111111111 0.1546 30 H 3.5553 -1.6204 1.8459 H 1 UNL1111111111 0.1579 31 H 3.4397 1.2424 1.6979 H 1 UNL1111111111 0.1578 32 H -1.5963 -0.5279 -1.8684 H 1 UNL1111111111 0.1549 33 H 6.7657 0.8227 2.3822 H 1 UNL1111111111 0.1569 34 H 6.7992 2.3264 1.4479 H 1 UNL1111111111 0.1590 35 H 5.5101 2.0434 2.6230 H 1 UNL1111111111 0.1545 36 H 6.0946 1.0548 -1.2099 H 1 UNL1111111111 0.1629 37 H 7.1607 0.1690 -0.1093 H 1 UNL1111111111 0.1509 38 H 5.6896 -0.5963 -0.7234 H 1 UNL1111111111 0.1612 39 H -2.0012 1.8299 -2.1086 H 1 UNL1111111111 0.1866 40 H -1.1422 2.1205 -0.6046 H 1 UNL1111111111 0.1949 41 H -2.7855 -2.6142 -0.4828 H 1 UNL1111111111 0.1642 42 H -3.7057 -2.2012 0.9743 H 1 UNL1111111111 0.1683 43 H -1.9285 -2.1640 0.9985 H 1 UNL1111111111 0.1767 44 H -4.7052 0.1353 2.1210 H 1 UNL1111111111 0.1604 45 H -5.4464 1.3718 1.0991 H 1 UNL1111111111 0.1817 46 H -6.0455 -0.5463 -0.5978 H 1 UNL1111111111 0.1456 47 H -7.2522 -2.2362 0.8071 H 1 UNL1111111111 0.1445 48 H -6.4345 -1.6321 2.2837 H 1 UNL1111111111 0.1450 @BOND 1 1 10 1 2 1 12 1 3 2 10 2 4 3 18 2 5 4 5 1 6 4 6 1 7 4 7 1 8 4 8 1 9 5 6 1 10 5 9 1 11 5 23 1 12 6 10 1 13 6 24 1 14 7 25 1 15 7 26 1 16 7 27 1 17 8 28 1 18 8 29 1 19 8 30 1 20 9 11 2 21 9 31 1 22 11 13 1 23 11 14 1 24 12 15 1 25 12 16 1 26 12 32 1 27 13 33 1 28 13 34 1 29 13 35 1 30 14 36 1 31 14 37 1 32 14 38 1 33 15 18 1 34 15 39 1 35 15 40 1 36 16 17 2 37 16 19 1 38 17 18 1 39 17 20 1 40 19 41 1 41 19 42 1 42 19 43 1 43 20 21 1 44 20 44 1 45 20 45 1 46 21 22 2 47 21 46 1 48 22 47 1 49 22 48 1