@MOLECULE methyl 2-nonynoate 28 27 0 0 0 SMALL GASTEIGER @ATOM 1 O -4.3400 -0.5414 0.0692 O.3 1 UNL1111111111 -0.3858 2 O -3.6648 1.5967 -0.0669 O.2 1 UNL1111111111 -0.4802 3 C 2.8440 -0.7111 -0.0371 C.3 1 UNL1111111111 -0.2772 4 C 3.9120 0.3930 -0.0112 C.3 1 UNL1111111111 -0.2700 5 C 1.4356 -0.1000 -0.0432 C.3 1 UNL1111111111 -0.2533 6 C 5.3298 -0.1963 0.0227 C.3 1 UNL1111111111 -0.2529 7 C 0.3506 -1.1933 -0.0409 C.3 1 UNL1111111111 -0.2624 8 C 6.3797 0.9151 0.0790 C.3 1 UNL1111111111 -0.4396 9 C -0.9641 -0.6228 -0.0322 C.1 1 UNL1111111111 0.0829 10 C -2.0843 -0.1559 -0.0245 C.1 1 UNL1111111111 -0.2515 11 C -3.3785 0.4245 -0.0142 C.2 1 UNL1111111111 0.6394 12 C -5.6799 -0.0564 0.0781 C.3 1 UNL1111111111 -0.1756 13 H 2.9875 -1.3525 -0.9268 H 1 UNL1111111111 0.1377 14 H 2.9705 -1.3773 0.8359 H 1 UNL1111111111 0.1377 15 H 3.8024 1.0486 -0.8957 H 1 UNL1111111111 0.1391 16 H 3.7595 1.0482 0.8669 H 1 UNL1111111111 0.1395 17 H 1.3108 0.5518 -0.9309 H 1 UNL1111111111 0.1492 18 H 1.3058 0.5605 0.8358 H 1 UNL1111111111 0.1493 19 H 5.4432 -0.8680 0.8936 H 1 UNL1111111111 0.1336 20 H 5.5012 -0.8296 -0.8681 H 1 UNL1111111111 0.1335 21 H 0.4780 -1.8593 -0.9295 H 1 UNL1111111111 0.1740 22 H 0.4889 -1.8643 0.8416 H 1 UNL1111111111 0.1739 23 H 6.2686 1.5284 0.9802 H 1 UNL1111111111 0.1437 24 H 6.3023 1.5832 -0.7869 H 1 UNL1111111111 0.1438 25 H 7.3950 0.5028 0.0847 H 1 UNL1111111111 0.1416 26 H -5.8451 0.5934 0.9446 H 1 UNL1111111111 0.1420 27 H -6.2721 -0.9736 0.1480 H 1 UNL1111111111 0.1459 28 H -5.8907 0.4870 -0.8492 H 1 UNL1111111111 0.1417 @BOND 1 1 11 1 2 1 12 1 3 2 11 2 4 3 4 1 5 3 5 1 6 3 13 1 7 3 14 1 8 4 6 1 9 4 15 1 10 4 16 1 11 5 7 1 12 5 17 1 13 5 18 1 14 6 8 1 15 6 19 1 16 6 20 1 17 7 9 1 18 7 21 1 19 7 22 1 20 8 23 1 21 8 24 1 22 8 25 1 23 9 10 3 24 10 11 1 25 12 26 1 26 12 27 1 27 12 28 1