@MOLECULE (9z,16r)-16-hydroxy-9-octadecenoic acid 55 54 0 0 0 SMALL GASTEIGER @ATOM 1 O -1.2925 -3.6612 0.7744 O.3 1 UNL1111111111 -0.5623 2 O 7.1961 -0.1038 -0.5172 O.3 1 UNL1111111111 -0.5776 3 O 5.8832 -0.8694 1.1085 O.2 1 UNL1111111111 -0.5027 4 C -3.2025 -1.4412 0.6637 C.3 1 UNL1111111111 -0.2562 5 C -4.6533 -0.9464 0.7479 C.3 1 UNL1111111111 -0.2689 6 C -2.9847 -2.4387 -0.4799 C.3 1 UNL1111111111 -0.3412 7 C -5.1321 -0.2153 -0.5143 C.3 1 UNL1111111111 -0.2633 8 C -1.5678 -3.0361 -0.4697 C.3 1 UNL1111111111 0.1589 9 C 0.2297 2.4018 -0.2944 C.3 1 UNL1111111111 -0.2772 10 C 1.3243 1.5725 0.3899 C.3 1 UNL1111111111 -0.2673 11 C -1.0957 2.2963 0.4698 C.3 1 UNL1111111111 -0.2603 12 C 2.6407 1.6374 -0.3987 C.3 1 UNL1111111111 -0.2720 13 C -4.3193 1.0498 -0.8218 C.3 1 UNL1111111111 -0.2777 14 C -2.1881 3.1331 -0.2177 C.3 1 UNL1111111111 -0.2762 15 C -0.4710 -1.9701 -0.6086 C.3 1 UNL1111111111 -0.2762 16 C 3.6982 0.7571 0.2782 C.3 1 UNL1111111111 -0.2568 17 C -4.4219 2.0797 0.2567 C.2 1 UNL1111111111 -0.1478 18 C -3.4869 2.9997 0.5135 C.2 1 UNL1111111111 -0.1850 19 C 5.0223 0.7678 -0.4928 C.3 1 UNL1111111111 -0.3485 20 C 0.9128 -2.6165 -0.6057 C.3 1 UNL1111111111 -0.4282 21 C 6.0077 -0.1548 0.1504 C.2 1 UNL1111111111 0.6460 22 H -2.9161 -1.9144 1.6257 H 1 UNL1111111111 0.1487 23 H -2.5222 -0.5747 0.5507 H 1 UNL1111111111 0.1397 24 H -3.1626 -1.9407 -1.4527 H 1 UNL1111111111 0.1461 25 H -3.7341 -3.2486 -0.4158 H 1 UNL1111111111 0.1388 26 H -4.7512 -0.2675 1.6195 H 1 UNL1111111111 0.1400 27 H -5.3273 -1.7987 0.9544 H 1 UNL1111111111 0.1311 28 H -5.0892 -0.9007 -1.3830 H 1 UNL1111111111 0.1331 29 H -6.1997 0.0498 -0.3988 H 1 UNL1111111111 0.1319 30 H -1.4706 -3.8134 -1.2631 H 1 UNL1111111111 0.1066 31 H 0.0899 2.0552 -1.3365 H 1 UNL1111111111 0.1349 32 H 0.5444 3.4599 -0.3641 H 1 UNL1111111111 0.1350 33 H 1.4826 1.9367 1.4236 H 1 UNL1111111111 0.1394 34 H 0.9930 0.5192 0.4891 H 1 UNL1111111111 0.1446 35 H -0.9652 2.6348 1.5153 H 1 UNL1111111111 0.1414 36 H -1.4183 1.2387 0.5356 H 1 UNL1111111111 0.1403 37 H 2.9931 2.6822 -0.4625 H 1 UNL1111111111 0.1350 38 H 2.4746 1.3100 -1.4422 H 1 UNL1111111111 0.1368 39 H -3.2606 0.7714 -1.0053 H 1 UNL1111111111 0.1524 40 H -4.6782 1.4960 -1.7740 H 1 UNL1111111111 0.1435 41 H -1.8781 4.1969 -0.2530 H 1 UNL1111111111 0.1397 42 H -2.2908 2.8275 -1.2778 H 1 UNL1111111111 0.1415 43 H -0.5372 -1.2635 0.2429 H 1 UNL1111111111 0.1507 44 H -0.6350 -1.3810 -1.5274 H 1 UNL1111111111 0.1345 45 H 3.3234 -0.2835 0.3704 H 1 UNL1111111111 0.1573 46 H 3.8648 1.0974 1.3198 H 1 UNL1111111111 0.1525 47 H -5.3474 2.0461 0.8297 H 1 UNL1111111111 0.1420 48 H -3.6263 3.7309 1.3096 H 1 UNL1111111111 0.1411 49 H 5.4492 1.7938 -0.5406 H 1 UNL1111111111 0.1801 50 H 4.8672 0.4761 -1.5535 H 1 UNL1111111111 0.1804 51 H 1.0200 -3.3692 -1.3968 H 1 UNL1111111111 0.1381 52 H 1.0916 -3.1285 0.3514 H 1 UNL1111111111 0.1637 53 H 1.7029 -1.8701 -0.7378 H 1 UNL1111111111 0.1357 54 H -1.9673 -4.3249 0.9933 H 1 UNL1111111111 0.3081 55 H 7.8894 -0.6990 -0.1394 H 1 UNL1111111111 0.3561 @BOND 1 1 8 1 2 1 54 1 3 2 21 1 4 2 55 1 5 3 21 2 6 4 5 1 7 4 6 1 8 4 22 1 9 4 23 1 10 5 7 1 11 5 26 1 12 5 27 1 13 6 8 1 14 6 24 1 15 6 25 1 16 7 13 1 17 7 28 1 18 7 29 1 19 8 15 1 20 8 30 1 21 9 10 1 22 9 11 1 23 9 31 1 24 9 32 1 25 10 12 1 26 10 33 1 27 10 34 1 28 11 14 1 29 11 35 1 30 11 36 1 31 12 16 1 32 12 37 1 33 12 38 1 34 13 17 1 35 13 39 1 36 13 40 1 37 14 18 1 38 14 41 1 39 14 42 1 40 15 20 1 41 15 43 1 42 15 44 1 43 16 19 1 44 16 45 1 45 16 46 1 46 17 18 2 47 17 47 1 48 18 48 1 49 19 21 1 50 19 49 1 51 19 50 1 52 20 51 1 53 20 52 1 54 20 53 1