@MOLECULE (3ar,4r,5r,6as)-2-oxo-4-[(1e)-3-oxo-1-octen-1-yl]hexahydro-2h-cyclopenta[b]furan-5-yl benzoate 53 55 0 0 0 SMALL GASTEIGER @ATOM 1 O -3.3534 2.7568 0.9384 O.3 1 UNL1111111111 -0.4125 2 O -1.1806 -0.3552 0.7037 O.3 1 UNL1111111111 -0.4439 3 O -4.8519 2.3185 -0.6418 O.2 1 UNL1111111111 -0.4448 4 O 0.7191 -1.2338 -0.1008 O.2 1 UNL1111111111 -0.5206 5 O 3.7989 3.1138 -0.2288 O.2 1 UNL1111111111 -0.4693 6 C -1.3009 2.7774 -0.3280 C.3 1 UNL1111111111 -0.1465 7 C -1.9371 2.8488 1.0909 C.3 1 UNL1111111111 0.1188 8 C -0.2463 1.6594 -0.2896 C.3 1 UNL1111111111 -0.1815 9 C -0.4833 0.8547 1.0157 C.3 1 UNL1111111111 0.1538 10 C -1.4576 1.6400 1.8961 C.3 1 UNL1111111111 -0.3528 11 C -2.4859 2.4715 -1.2523 C.3 1 UNL1111111111 -0.3917 12 C -3.7014 2.4883 -0.3613 C.2 1 UNL1111111111 0.6049 13 C 1.1501 2.1945 -0.2611 C.2 1 UNL1111111111 -0.0706 14 C 2.1602 1.5546 -0.8593 C.2 1 UNL1111111111 -0.3025 15 C -0.4568 -1.3586 0.1427 C.2 1 UNL1111111111 0.6118 16 C 3.5493 2.0419 -0.7300 C.2 1 UNL1111111111 0.4819 17 C 4.6539 1.1405 -1.2257 C.3 1 UNL1111111111 -0.3810 18 C -1.2935 -2.5409 -0.1089 C.ar 1 UNL1111111111 -0.1572 19 C 5.0445 0.1476 -0.1209 C.3 1 UNL1111111111 -0.2540 20 C 4.0403 -1.0035 -0.0018 C.3 1 UNL1111111111 -0.2810 21 C -0.6519 -3.7230 -0.4894 C.ar 1 UNL1111111111 -0.0743 22 C -2.6824 -2.4931 0.0202 C.ar 1 UNL1111111111 -0.0696 23 C 4.4303 -1.9608 1.1318 C.3 1 UNL1111111111 -0.2468 24 C -1.4083 -4.8645 -0.7388 C.ar 1 UNL1111111111 -0.1796 25 C -3.4331 -3.6388 -0.2334 C.ar 1 UNL1111111111 -0.1739 26 C 3.4113 -3.0963 1.2401 C.3 1 UNL1111111111 -0.4372 27 C -2.7968 -4.8209 -0.6108 C.ar 1 UNL1111111111 -0.0958 28 H -0.8361 3.7471 -0.6052 H 1 UNL1111111111 0.1580 29 H -1.7804 3.8156 1.6046 H 1 UNL1111111111 0.1449 30 H -0.3747 0.9767 -1.1669 H 1 UNL1111111111 0.1744 31 H 0.4631 0.5874 1.5323 H 1 UNL1111111111 0.1503 32 H -0.9890 1.9406 2.8481 H 1 UNL1111111111 0.1620 33 H -2.3257 1.0042 2.1851 H 1 UNL1111111111 0.1958 34 H -2.4011 1.4888 -1.7567 H 1 UNL1111111111 0.1873 35 H -2.5895 3.2121 -2.0674 H 1 UNL1111111111 0.1817 36 H 1.3088 3.1166 0.3048 H 1 UNL1111111111 0.1665 37 H 2.0184 0.6327 -1.4248 H 1 UNL1111111111 0.1799 38 H 5.5352 1.7571 -1.5011 H 1 UNL1111111111 0.1684 39 H 4.3575 0.6049 -2.1457 H 1 UNL1111111111 0.1598 40 H 5.1355 0.6781 0.8476 H 1 UNL1111111111 0.1469 41 H 6.0530 -0.2574 -0.3334 H 1 UNL1111111111 0.1402 42 H 3.0195 -0.6120 0.1858 H 1 UNL1111111111 0.1602 43 H 3.9718 -1.5561 -0.9567 H 1 UNL1111111111 0.1386 44 H 0.4365 -3.7429 -0.5889 H 1 UNL1111111111 0.1711 45 H -3.1783 -1.5658 0.3177 H 1 UNL1111111111 0.1725 46 H 5.4414 -2.3718 0.9575 H 1 UNL1111111111 0.1282 47 H 4.4845 -1.4100 2.0896 H 1 UNL1111111111 0.1323 48 H -0.9167 -5.7896 -1.0345 H 1 UNL1111111111 0.1577 49 H -4.5175 -3.6095 -0.1356 H 1 UNL1111111111 0.1614 50 H 2.3917 -2.7022 1.3466 H 1 UNL1111111111 0.1527 51 H 3.6147 -3.7360 2.1041 H 1 UNL1111111111 0.1354 52 H 3.4217 -3.7281 0.3457 H 1 UNL1111111111 0.1385 53 H -3.3873 -5.7156 -0.8071 H 1 UNL1111111111 0.1513 @BOND 1 1 7 1 2 1 12 1 3 2 9 1 4 2 15 1 5 3 12 2 6 4 15 2 7 5 16 2 8 6 7 1 9 6 8 1 10 6 11 1 11 6 28 1 12 7 10 1 13 7 29 1 14 8 9 1 15 8 13 1 16 8 30 1 17 9 10 1 18 9 31 1 19 10 32 1 20 10 33 1 21 11 12 1 22 11 34 1 23 11 35 1 24 13 14 2 25 13 36 1 26 14 16 1 27 14 37 1 28 15 18 1 29 16 17 1 30 17 19 1 31 17 38 1 32 17 39 1 33 18 21 ar 34 18 22 ar 35 19 20 1 36 19 40 1 37 19 41 1 38 20 23 1 39 20 42 1 40 20 43 1 41 21 24 ar 42 21 44 1 43 22 25 ar 44 22 45 1 45 23 26 1 46 23 46 1 47 23 47 1 48 24 27 ar 49 24 48 1 50 25 27 ar 51 25 49 1 52 26 50 1 53 26 51 1 54 26 52 1 55 27 53 1