@MOLECULE 11-dodecynoic acid 34 33 0 0 0 SMALL GASTEIGER @ATOM 1 O -6.4602 -0.8930 0.2519 O.3 1 UNL1111111111 -0.5751 2 O -5.6514 0.9390 -0.7216 O.2 1 UNL1111111111 -0.5056 3 C 0.8725 -0.0843 0.3434 C.3 1 UNL1111111111 -0.2742 4 C -0.4666 0.5263 -0.0914 C.3 1 UNL1111111111 -0.2697 5 C 2.0436 0.8076 -0.0889 C.3 1 UNL1111111111 -0.2734 6 C -1.6340 -0.3717 0.3393 C.3 1 UNL1111111111 -0.2714 7 C 3.3785 0.2143 0.3767 C.3 1 UNL1111111111 -0.2735 8 C -2.9701 0.2316 -0.1072 C.3 1 UNL1111111111 -0.2567 9 C 4.5500 1.0930 -0.0803 C.3 1 UNL1111111111 -0.2555 10 C -4.1334 -0.6688 0.3174 C.3 1 UNL1111111111 -0.3481 11 C 5.8941 0.5464 0.4390 C.3 1 UNL1111111111 -0.2504 12 C -5.4332 -0.0806 -0.1243 C.2 1 UNL1111111111 0.6469 13 C 6.2337 -0.6967 -0.1907 C.1 1 UNL1111111111 -0.0481 14 C 6.5200 -1.7449 -0.7242 C.1 1 UNL1111111111 -0.2459 15 H 0.9880 -1.0942 -0.0922 H 1 UNL1111111111 0.1379 16 H 0.8875 -0.2229 1.4402 H 1 UNL1111111111 0.1361 17 H -0.5829 1.5357 0.3452 H 1 UNL1111111111 0.1382 18 H -0.4799 0.6668 -1.1887 H 1 UNL1111111111 0.1397 19 H 1.9175 1.8254 0.3251 H 1 UNL1111111111 0.1369 20 H 2.0441 0.9237 -1.1886 H 1 UNL1111111111 0.1386 21 H -1.6223 -0.5042 1.4375 H 1 UNL1111111111 0.1373 22 H -1.5091 -1.3833 -0.0908 H 1 UNL1111111111 0.1382 23 H 3.5027 -0.8115 -0.0226 H 1 UNL1111111111 0.1457 24 H 3.3867 0.1104 1.4773 H 1 UNL1111111111 0.1371 25 H -3.0973 1.2468 0.3193 H 1 UNL1111111111 0.1532 26 H -2.9808 0.3767 -1.2061 H 1 UNL1111111111 0.1538 27 H 4.5715 1.1511 -1.1856 H 1 UNL1111111111 0.1448 28 H 4.4098 2.1300 0.2782 H 1 UNL1111111111 0.1377 29 H -4.0181 -1.6919 -0.1043 H 1 UNL1111111111 0.1817 30 H -4.1408 -0.8141 1.4199 H 1 UNL1111111111 0.1812 31 H 6.6956 1.3023 0.2610 H 1 UNL1111111111 0.1599 32 H 5.8490 0.4261 1.5473 H 1 UNL1111111111 0.1620 33 H -7.3500 -0.5560 -0.0122 H 1 UNL1111111111 0.3558 34 H 6.7647 -2.6332 -1.1766 H 1 UNL1111111111 0.1849 @BOND 1 1 12 1 2 1 33 1 3 2 12 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 13 1 30 11 31 1 31 11 32 1 32 13 14 3 33 14 34 1