@MOLECULE (2z)-2-dodecenoic acid 36 35 0 0 0 SMALL GASTEIGER @ATOM 1 O -5.6873 1.4610 0.0948 O.3 1 UNL1111111111 -0.5616 2 O -3.4657 1.5149 0.1663 O.2 1 UNL1111111111 -0.5135 3 C 2.4572 -0.3482 0.4206 C.3 1 UNL1111111111 -0.2713 4 C 1.1555 -0.4067 -0.3890 C.3 1 UNL1111111111 -0.2705 5 C 3.6323 0.0711 -0.4713 C.3 1 UNL1111111111 -0.2747 6 C -0.0188 -0.8213 0.5062 C.3 1 UNL1111111111 -0.2718 7 C 4.9346 0.1252 0.3375 C.3 1 UNL1111111111 -0.2728 8 C -1.3089 -0.9354 -0.3134 C.3 1 UNL1111111111 -0.2539 9 C 6.1107 0.5486 -0.5526 C.3 1 UNL1111111111 -0.2510 10 C -2.4950 -1.2871 0.6023 C.3 1 UNL1111111111 -0.3083 11 C 7.4103 0.6037 0.2509 C.3 1 UNL1111111111 -0.4399 12 C -3.7259 -1.4703 -0.2190 C.2 1 UNL1111111111 -0.0055 13 C -4.6137 -0.5092 -0.5008 C.2 1 UNL1111111111 -0.3219 14 C -4.4645 0.8754 -0.0535 C.2 1 UNL1111111111 0.6558 15 H 2.3484 0.3624 1.2615 H 1 UNL1111111111 0.1386 16 H 2.6632 -1.3335 0.8791 H 1 UNL1111111111 0.1342 17 H 1.2635 -1.1162 -1.2309 H 1 UNL1111111111 0.1345 18 H 0.9504 0.5791 -0.8463 H 1 UNL1111111111 0.1417 19 H 3.4283 1.0583 -0.9263 H 1 UNL1111111111 0.1382 20 H 3.7393 -0.6358 -1.3147 H 1 UNL1111111111 0.1352 21 H 0.2049 -1.7816 1.0058 H 1 UNL1111111111 0.1335 22 H -0.1518 -0.0776 1.3165 H 1 UNL1111111111 0.1437 23 H 4.8279 0.8309 1.1822 H 1 UNL1111111111 0.1372 24 H 5.1409 -0.8616 0.7918 H 1 UNL1111111111 0.1355 25 H -1.5172 0.0270 -0.8265 H 1 UNL1111111111 0.1591 26 H -1.1945 -1.6950 -1.1069 H 1 UNL1111111111 0.1335 27 H 5.9051 1.5364 -1.0063 H 1 UNL1111111111 0.1341 28 H 6.2181 -0.1561 -1.3984 H 1 UNL1111111111 0.1330 29 H -2.6206 -0.4792 1.3568 H 1 UNL1111111111 0.1698 30 H -2.2691 -2.2041 1.1818 H 1 UNL1111111111 0.1486 31 H 7.3414 1.3229 1.0747 H 1 UNL1111111111 0.1425 32 H 8.2541 0.9053 -0.3792 H 1 UNL1111111111 0.1399 33 H 7.6548 -0.3724 0.6845 H 1 UNL1111111111 0.1419 34 H -3.8739 -2.4856 -0.6021 H 1 UNL1111111111 0.1469 35 H -5.5154 -0.7036 -1.0873 H 1 UNL1111111111 0.1869 36 H -5.6368 2.3992 0.3987 H 1 UNL1111111111 0.3522 @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 9 1 18 7 23 1 19 7 24 1 20 8 10 1 21 8 25 1 22 8 26 1 23 9 11 1 24 9 27 1 25 9 28 1 26 10 12 1 27 10 29 1 28 10 30 1 29 11 31 1 30 11 32 1 31 11 33 1 32 12 13 2 33 12 34 1 34 13 14 1 35 13 35 1