@MOLECULE 5-dodecenoic acid 36 35 0 0 0 SMALL GASTEIGER @ATOM 1 O 1.0531 1.5500 1.5835 O.3 1 UNL1111111111 -0.5835 2 O 3.0277 0.6007 1.2023 O.2 1 UNL1111111111 -0.5106 3 C -1.9201 -0.2206 1.1265 C.3 1 UNL1111111111 -0.2735 4 C -2.1978 -1.7285 1.1762 C.3 1 UNL1111111111 -0.2605 5 C -2.3844 0.4196 -0.1873 C.3 1 UNL1111111111 -0.2709 6 C -1.5056 -2.5087 0.0454 C.3 1 UNL1111111111 -0.2812 7 C -2.1583 1.9372 -0.1547 C.3 1 UNL1111111111 -0.2589 8 C -0.0428 -2.2078 0.0080 C.2 1 UNL1111111111 -0.1453 9 C 2.0353 -1.4258 -1.1035 C.3 1 UNL1111111111 -0.2815 10 C 2.2626 0.0339 -1.5303 C.3 1 UNL1111111111 -0.2400 11 C 0.5802 -1.7646 -1.0877 C.2 1 UNL1111111111 -0.1857 12 C -2.3701 2.5510 -1.5382 C.3 1 UNL1111111111 -0.4389 13 C 1.4871 1.0196 -0.6520 C.3 1 UNL1111111111 -0.3546 14 C 1.9862 0.9994 0.7537 C.2 1 UNL1111111111 0.6583 15 H -0.8361 -0.0330 1.2683 H 1 UNL1111111111 0.1493 16 H -2.4215 0.2731 1.9804 H 1 UNL1111111111 0.1343 17 H -3.2887 -1.9099 1.1316 H 1 UNL1111111111 0.1337 18 H -1.8633 -2.1246 2.1547 H 1 UNL1111111111 0.1352 19 H -1.8360 -0.0275 -1.0378 H 1 UNL1111111111 0.1364 20 H -3.4515 0.1974 -0.3668 H 1 UNL1111111111 0.1337 21 H -1.9940 -2.2778 -0.9215 H 1 UNL1111111111 0.1417 22 H -1.6594 -3.5979 0.1969 H 1 UNL1111111111 0.1448 23 H -2.8422 2.4042 0.5783 H 1 UNL1111111111 0.1350 24 H -1.1365 2.1636 0.2106 H 1 UNL1111111111 0.1446 25 H 0.4790 -2.3603 0.9517 H 1 UNL1111111111 0.1464 26 H 2.5045 -1.5972 -0.1111 H 1 UNL1111111111 0.1587 27 H 2.5719 -2.1054 -1.7981 H 1 UNL1111111111 0.1481 28 H 3.3478 0.2616 -1.4850 H 1 UNL1111111111 0.1530 29 H 1.9612 0.1688 -2.5865 H 1 UNL1111111111 0.1407 30 H 0.0619 -1.6139 -2.0311 H 1 UNL1111111111 0.1419 31 H -1.6700 2.1380 -2.2722 H 1 UNL1111111111 0.1382 32 H -2.2249 3.6366 -1.5163 H 1 UNL1111111111 0.1399 33 H -3.3840 2.3616 -1.9074 H 1 UNL1111111111 0.1409 34 H 0.3951 0.7795 -0.6729 H 1 UNL1111111111 0.1985 35 H 1.5619 2.0522 -1.0558 H 1 UNL1111111111 0.1768 36 H 1.3273 1.5742 2.5307 H 1 UNL1111111111 0.3551 @BOND 1 1 14 1 2 1 36 1 3 2 14 2 4 3 4 1 5 3 5 1 6 3 15 1 7 3 16 1 8 4 6 1 9 4 17 1 10 4 18 1 11 5 7 1 12 5 19 1 13 5 20 1 14 6 8 1 15 6 21 1 16 6 22 1 17 7 12 1 18 7 23 1 19 7 24 1 20 8 11 2 21 8 25 1 22 9 10 1 23 9 11 1 24 9 26 1 25 9 27 1 26 10 13 1 27 10 28 1 28 10 29 1 29 11 30 1 30 12 31 1 31 12 32 1 32 12 33 1 33 13 14 1 34 13 34 1 35 13 35 1