@MOLECULE (5r)-3-methyl-5-propyl-2-cyclohexen-1-one 27 27 0 0 0 SMALL GASTEIGER @ATOM 1 O -2.6168 -2.0390 -0.2425 O.2 1 UNL1111111111 -0.4677 2 C 0.5201 -0.3186 -0.1569 C.3 1 UNL1111111111 -0.0788 3 C 0.0464 1.0611 0.3410 C.3 1 UNL1111111111 -0.3284 4 C 1.9618 -0.6025 0.2940 C.3 1 UNL1111111111 -0.2900 5 C -0.4187 -1.4096 0.3741 C.3 1 UNL1111111111 -0.4011 6 C -1.4035 1.2904 0.0485 C.2 1 UNL1111111111 0.1491 7 C 2.9763 0.2694 -0.4575 C.3 1 UNL1111111111 -0.2481 8 C -1.8508 -1.1296 -0.0256 C.2 1 UNL1111111111 0.4949 9 C -2.2664 0.2769 -0.1140 C.2 1 UNL1111111111 -0.3776 10 C -1.8251 2.7164 -0.0395 C.3 1 UNL1111111111 -0.4754 11 C 4.4033 -0.0627 -0.0211 C.3 1 UNL1111111111 -0.4404 12 H 0.4802 -0.3265 -1.2744 H 1 UNL1111111111 0.1442 13 H 0.6720 1.8544 -0.1151 H 1 UNL1111111111 0.1555 14 H 0.2151 1.1485 1.4358 H 1 UNL1111111111 0.1636 15 H 2.2015 -1.6708 0.1233 H 1 UNL1111111111 0.1459 16 H 2.0615 -0.4473 1.3840 H 1 UNL1111111111 0.1402 17 H -0.3636 -1.4772 1.4792 H 1 UNL1111111111 0.1701 18 H -0.1130 -2.4083 0.0027 H 1 UNL1111111111 0.1737 19 H 2.7702 1.3412 -0.2782 H 1 UNL1111111111 0.1307 20 H 2.8714 0.1188 -1.5490 H 1 UNL1111111111 0.1369 21 H -3.3229 0.4287 -0.3266 H 1 UNL1111111111 0.1802 22 H -1.4353 3.1865 -0.9560 H 1 UNL1111111111 0.1673 23 H -1.4537 3.3065 0.8107 H 1 UNL1111111111 0.1621 24 H -2.9181 2.8363 -0.0604 H 1 UNL1111111111 0.1649 25 H 4.5445 0.1042 1.0525 H 1 UNL1111111111 0.1424 26 H 4.6531 -1.1096 -0.2274 H 1 UNL1111111111 0.1444 27 H 5.1350 0.5589 -0.5490 H 1 UNL1111111111 0.1414 @BOND 1 1 8 2 2 2 3 1 3 2 4 1 4 2 5 1 5 2 12 1 6 3 6 1 7 3 13 1 8 3 14 1 9 4 7 1 10 4 15 1 11 4 16 1 12 5 8 1 13 5 17 1 14 5 18 1 15 6 9 2 16 6 10 1 17 7 11 1 18 7 19 1 19 7 20 1 20 8 9 1 21 9 21 1 22 10 22 1 23 10 23 1 24 10 24 1 25 11 25 1 26 11 26 1 27 11 27 1