@MOLECULE trans-3-methyl-4-octanolide 27 27 0 0 0 SMALL GASTEIGER @ATOM 1 O 0.6043 0.8169 0.5503 O.3 1 UNL1111111111 -0.4063 2 O 2.1187 2.3503 0.0203 O.2 1 UNL1111111111 -0.4502 3 C 0.3470 -0.5802 0.3530 C.3 1 UNL1111111111 0.1046 4 C 1.5857 -1.1847 -0.3663 C.3 1 UNL1111111111 -0.1259 5 C -0.9329 -0.6907 -0.4744 C.3 1 UNL1111111111 -0.3198 6 C 2.4868 0.0269 -0.6521 C.3 1 UNL1111111111 -0.3980 7 C -2.1197 -0.1000 0.2960 C.3 1 UNL1111111111 -0.2631 8 C 2.2763 -2.2237 0.5099 C.3 1 UNL1111111111 -0.4542 9 C 1.7815 1.2020 -0.0283 C.2 1 UNL1111111111 0.6004 10 C -3.4025 -0.1718 -0.5419 C.3 1 UNL1111111111 -0.2495 11 C -4.5871 0.4076 0.2315 C.3 1 UNL1111111111 -0.4391 12 H 0.2143 -0.9736 1.3825 H 1 UNL1111111111 0.1452 13 H 1.2775 -1.6651 -1.3225 H 1 UNL1111111111 0.1482 14 H -1.1290 -1.7490 -0.7281 H 1 UNL1111111111 0.1451 15 H -0.8095 -0.1559 -1.4366 H 1 UNL1111111111 0.1544 16 H 2.6389 0.1937 -1.7344 H 1 UNL1111111111 0.1783 17 H 3.5018 -0.0841 -0.2257 H 1 UNL1111111111 0.1842 18 H -2.2610 -0.6328 1.2541 H 1 UNL1111111111 0.1360 19 H -1.9013 0.9537 0.5670 H 1 UNL1111111111 0.1595 20 H 2.6174 -1.7973 1.4618 H 1 UNL1111111111 0.1554 21 H 1.6060 -3.0588 0.7474 H 1 UNL1111111111 0.1499 22 H 3.1549 -2.6487 0.0093 H 1 UNL1111111111 0.1510 23 H -3.6134 -1.2190 -0.8276 H 1 UNL1111111111 0.1294 24 H -3.2660 0.3814 -1.4907 H 1 UNL1111111111 0.1356 25 H -4.4130 1.4560 0.5016 H 1 UNL1111111111 0.1476 26 H -4.7701 -0.1450 1.1595 H 1 UNL1111111111 0.1415 27 H -5.5068 0.3693 -0.3622 H 1 UNL1111111111 0.1397 @BOND 1 1 3 1 2 1 9 1 3 2 9 2 4 3 4 1 5 3 5 1 6 3 12 1 7 4 6 1 8 4 8 1 9 4 13 1 10 5 7 1 11 5 14 1 12 5 15 1 13 6 9 1 14 6 16 1 15 6 17 1 16 7 10 1 17 7 18 1 18 7 19 1 19 8 20 1 20 8 21 1 21 8 22 1 22 10 11 1 23 10 23 1 24 10 24 1 25 11 25 1 26 11 26 1 27 11 27 1