@MOLECULE (1r,3s)-3-(4-methoxybenzoyl)-1,2,2-trimethylcyclopentanecarboxylic acid 43 44 0 0 0 SMALL GASTEIGER @ATOM 1 O -3.5170 2.2626 0.7516 O.3 1 UNL1111111111 -0.5675 2 O -4.7030 0.4331 1.1621 O.2 1 UNL1111111111 -0.5167 3 O 0.1797 -2.7354 0.3950 O.2 1 UNL1111111111 -0.4525 4 O 5.2704 0.8831 0.4504 O.3 1 UNL1111111111 -0.3108 5 C -1.4231 0.2203 0.0495 C.3 1 UNL1111111111 0.1263 6 C -2.8924 0.3348 -0.4877 C.3 1 UNL1111111111 -0.0138 7 C -0.8478 -0.9524 -0.8010 C.3 1 UNL1111111111 -0.2381 8 C -3.3168 -1.1253 -0.7674 C.3 1 UNL1111111111 -0.2845 9 C -2.0273 -1.9116 -1.0503 C.3 1 UNL1111111111 -0.2617 10 C -0.6201 1.5043 -0.1381 C.3 1 UNL1111111111 -0.4771 11 C -1.4348 -0.1446 1.5394 C.3 1 UNL1111111111 -0.4805 12 C -3.0118 1.1713 -1.7628 C.3 1 UNL1111111111 -0.4486 13 C -3.8030 0.9463 0.5504 C.2 1 UNL1111111111 0.6271 14 C 0.3063 -1.6435 -0.1071 C.2 1 UNL1111111111 0.4750 15 C 1.6100 -0.9418 -0.0370 C.ar 1 UNL1111111111 -0.2315 16 C 2.0855 -0.1476 -1.0774 C.ar 1 UNL1111111111 -0.0371 17 C 2.3839 -1.1236 1.1186 C.ar 1 UNL1111111111 -0.0230 18 C 3.3177 0.4939 -0.9726 C.ar 1 UNL1111111111 -0.3211 19 C 3.6072 -0.4892 1.2496 C.ar 1 UNL1111111111 -0.2726 20 C 4.0638 0.3212 0.1945 C.ar 1 UNL1111111111 0.2818 21 C 5.8346 1.7147 -0.5550 C.3 1 UNL1111111111 -0.2042 22 H -0.4956 -0.5496 -1.7791 H 1 UNL1111111111 0.1535 23 H -4.0269 -1.1883 -1.6063 H 1 UNL1111111111 0.1442 24 H -3.8521 -1.5551 0.1021 H 1 UNL1111111111 0.1653 25 H -1.9626 -2.8009 -0.3914 H 1 UNL1111111111 0.1701 26 H -2.0073 -2.3020 -2.0796 H 1 UNL1111111111 0.1358 27 H -0.4663 1.7577 -1.1910 H 1 UNL1111111111 0.1444 28 H -1.1295 2.3576 0.3327 H 1 UNL1111111111 0.1687 29 H 0.3722 1.4248 0.3245 H 1 UNL1111111111 0.1576 30 H -1.8817 0.6488 2.1498 H 1 UNL1111111111 0.1556 31 H -1.9953 -1.0704 1.7262 H 1 UNL1111111111 0.1672 32 H -0.4198 -0.2996 1.9256 H 1 UNL1111111111 0.1568 33 H -2.7353 2.2207 -1.5905 H 1 UNL1111111111 0.1650 34 H -2.3651 0.7788 -2.5557 H 1 UNL1111111111 0.1543 35 H -4.0387 1.1713 -2.1488 H 1 UNL1111111111 0.1495 36 H -4.1088 2.6933 1.4154 H 1 UNL1111111111 0.3511 37 H 1.4994 -0.0242 -1.9893 H 1 UNL1111111111 0.1491 38 H 2.0131 -1.7781 1.9138 H 1 UNL1111111111 0.1714 39 H 3.6787 1.1082 -1.7891 H 1 UNL1111111111 0.1645 40 H 4.2198 -0.6101 2.1398 H 1 UNL1111111111 0.1778 41 H 6.0179 1.1492 -1.4739 H 1 UNL1111111111 0.1367 42 H 6.7861 2.0179 -0.0950 H 1 UNL1111111111 0.1571 43 H 5.2031 2.5891 -0.7390 H 1 UNL1111111111 0.1354 @BOND 1 1 13 1 2 1 36 1 3 2 13 2 4 3 14 2 5 4 20 1 6 4 21 1 7 5 6 1 8 5 7 1 9 5 10 1 10 5 11 1 11 6 8 1 12 6 12 1 13 6 13 1 14 7 9 1 15 7 14 1 16 7 22 1 17 8 9 1 18 8 23 1 19 8 24 1 20 9 25 1 21 9 26 1 22 10 27 1 23 10 28 1 24 10 29 1 25 11 30 1 26 11 31 1 27 11 32 1 28 12 33 1 29 12 34 1 30 12 35 1 31 14 15 1 32 15 16 ar 33 15 17 ar 34 16 18 ar 35 16 37 1 36 17 19 ar 37 17 38 1 38 18 20 ar 39 18 39 1 40 19 20 ar 41 19 40 1 42 21 41 1 43 21 42 1 44 21 43 1