@MOLECULE 3-methyl-5-(2,2,3-trimethyl-3-cyclopenten-1-yl)pent-3-en-2-one 37 37 0 0 0 SMALL GASTEIGER @ATOM 1 O -4.7348 0.5351 -0.2162 O.2 1 UNL1111111111 -0.4522 2 C 2.2026 0.5550 0.0950 C.3 1 UNL1111111111 0.0707 3 C 0.7748 -0.0995 0.0570 C.3 1 UNL1111111111 -0.1127 4 C 1.0322 -1.6310 0.0807 C.3 1 UNL1111111111 -0.2824 5 C 3.1019 -0.5864 -0.3625 C.2 1 UNL1111111111 -0.0025 6 C -0.1657 0.3616 1.1747 C.3 1 UNL1111111111 -0.2910 7 C 2.4628 -1.7649 -0.3525 C.2 1 UNL1111111111 -0.2172 8 C 2.2585 1.7516 -0.8566 C.3 1 UNL1111111111 -0.4622 9 C 2.6335 0.9850 1.5010 C.3 1 UNL1111111111 -0.4561 10 C 4.5104 -0.3483 -0.7446 C.3 1 UNL1111111111 -0.4460 11 C -1.5491 -0.1438 0.9244 C.2 1 UNL1111111111 -0.1286 12 C -2.3955 0.3800 0.0292 C.2 1 UNL1111111111 -0.1177 13 C -2.1108 1.5400 -0.8555 C.3 1 UNL1111111111 -0.4335 14 C -3.7659 -0.1802 -0.1409 C.2 1 UNL1111111111 0.4847 15 C -3.8936 -1.6744 -0.2270 C.3 1 UNL1111111111 -0.5490 16 H 0.3083 0.1571 -0.9238 H 1 UNL1111111111 0.1444 17 H 0.3382 -2.1660 -0.5865 H 1 UNL1111111111 0.1422 18 H 0.8849 -2.0542 1.0897 H 1 UNL1111111111 0.1469 19 H -0.1595 1.4713 1.2330 H 1 UNL1111111111 0.1548 20 H 0.2055 0.0159 2.1601 H 1 UNL1111111111 0.1488 21 H 2.8619 -2.7269 -0.6092 H 1 UNL1111111111 0.1483 22 H 1.5067 2.5029 -0.5913 H 1 UNL1111111111 0.1459 23 H 3.2384 2.2407 -0.8274 H 1 UNL1111111111 0.1488 24 H 2.0768 1.4469 -1.8936 H 1 UNL1111111111 0.1483 25 H 3.6757 1.3242 1.5071 H 1 UNL1111111111 0.1466 26 H 2.0217 1.8099 1.8791 H 1 UNL1111111111 0.1457 27 H 2.5589 0.1516 2.2092 H 1 UNL1111111111 0.1502 28 H 5.0629 -1.2842 -0.9072 H 1 UNL1111111111 0.1532 29 H 5.0511 0.2182 0.0277 H 1 UNL1111111111 0.1558 30 H 4.5745 0.2327 -1.6777 H 1 UNL1111111111 0.1589 31 H -1.8336 -1.0001 1.5369 H 1 UNL1111111111 0.1451 32 H -2.9883 2.2054 -0.9362 H 1 UNL1111111111 0.1743 33 H -1.8611 1.2119 -1.8755 H 1 UNL1111111111 0.1568 34 H -1.2748 2.1555 -0.4968 H 1 UNL1111111111 0.1547 35 H -4.8121 -1.9615 -0.7609 H 1 UNL1111111111 0.1796 36 H -3.9602 -2.1154 0.7776 H 1 UNL1111111111 0.1758 37 H -3.0444 -2.1377 -0.7431 H 1 UNL1111111111 0.1709 @BOND 1 1 14 2 2 2 3 1 3 2 5 1 4 2 8 1 5 2 9 1 6 3 4 1 7 3 6 1 8 3 16 1 9 4 7 1 10 4 17 1 11 4 18 1 12 5 7 2 13 5 10 1 14 6 11 1 15 6 19 1 16 6 20 1 17 7 21 1 18 8 22 1 19 8 23 1 20 8 24 1 21 9 25 1 22 9 26 1 23 9 27 1 24 10 28 1 25 10 29 1 26 10 30 1 27 11 12 2 28 11 31 1 29 12 13 1 30 12 14 1 31 13 32 1 32 13 33 1 33 13 34 1 34 14 15 1 35 15 35 1 36 15 36 1 37 15 37 1