@MOLECULE (3s)-3-hydroxyhexadecanoic acid 51 50 0 0 0 SMALL GASTEIGER @ATOM 1 O 5.4745 1.2713 -1.4833 O.3 1 UNL1111111111 -0.5718 2 O 7.7722 -2.1522 -0.1674 O.3 1 UNL1111111111 -0.5673 3 O 8.0791 -0.2144 0.8853 O.2 1 UNL1111111111 -0.5129 4 C -0.7429 0.5914 0.5011 C.3 1 UNL1111111111 -0.2727 5 C -1.9380 0.0259 -0.2767 C.3 1 UNL1111111111 -0.2722 6 C 0.5758 0.2263 -0.1920 C.3 1 UNL1111111111 -0.2746 7 C -3.2560 0.3743 0.4262 C.3 1 UNL1111111111 -0.2729 8 C 1.7719 0.7880 0.5864 C.3 1 UNL1111111111 -0.2775 9 C -4.4502 -0.2014 -0.3455 C.3 1 UNL1111111111 -0.2714 10 C 3.0847 0.4484 -0.1290 C.3 1 UNL1111111111 -0.2591 11 C -5.7692 0.1560 0.3514 C.3 1 UNL1111111111 -0.2722 12 C 4.2829 1.0383 0.6214 C.3 1 UNL1111111111 -0.3410 13 C -6.9622 -0.4351 -0.4102 C.3 1 UNL1111111111 -0.2746 14 C 5.5986 0.8273 -0.1405 C.3 1 UNL1111111111 0.1766 15 C -8.2814 -0.0746 0.2844 C.3 1 UNL1111111111 -0.2722 16 C -9.4764 -0.6613 -0.4789 C.3 1 UNL1111111111 -0.2510 17 C 5.9847 -0.6530 -0.2877 C.3 1 UNL1111111111 -0.3865 18 C -10.7923 -0.3101 0.2154 C.3 1 UNL1111111111 -0.4398 19 C 7.3630 -0.9127 0.2172 C.2 1 UNL1111111111 0.6538 20 H -0.7470 0.2028 1.5365 H 1 UNL1111111111 0.1363 21 H -0.8343 1.6900 0.5890 H 1 UNL1111111111 0.1365 22 H -1.9420 0.4251 -1.3082 H 1 UNL1111111111 0.1371 23 H -1.8404 -1.0712 -0.3764 H 1 UNL1111111111 0.1367 24 H 0.5789 0.6170 -1.2270 H 1 UNL1111111111 0.1383 25 H 0.6643 -0.8724 -0.2830 H 1 UNL1111111111 0.1372 26 H -3.2493 -0.0173 1.4605 H 1 UNL1111111111 0.1365 27 H -3.3578 1.4717 0.5179 H 1 UNL1111111111 0.1366 28 H 1.7805 0.3806 1.6144 H 1 UNL1111111111 0.1370 29 H 1.6687 1.8837 0.6958 H 1 UNL1111111111 0.1356 30 H -4.4532 0.1840 -1.3821 H 1 UNL1111111111 0.1366 31 H -4.3522 -1.2997 -0.4301 H 1 UNL1111111111 0.1365 32 H 3.0636 0.8307 -1.1690 H 1 UNL1111111111 0.1495 33 H 3.1894 -0.6486 -0.2243 H 1 UNL1111111111 0.1376 34 H -5.7616 -0.2179 1.3922 H 1 UNL1111111111 0.1365 35 H -5.8735 1.2546 0.4245 H 1 UNL1111111111 0.1365 36 H 4.1242 2.1211 0.7893 H 1 UNL1111111111 0.1453 37 H 4.3610 0.5948 1.6327 H 1 UNL1111111111 0.1531 38 H -6.8595 -1.5340 -0.4810 H 1 UNL1111111111 0.1364 39 H -6.9686 -0.0631 -1.4517 H 1 UNL1111111111 0.1364 40 H 6.4221 1.4213 0.3270 H 1 UNL1111111111 0.1423 41 H -8.3837 1.0239 0.3589 H 1 UNL1111111111 0.1364 42 H -8.2773 -0.4494 1.3247 H 1 UNL1111111111 0.1364 43 H -9.4845 -0.2818 -1.5181 H 1 UNL1111111111 0.1336 44 H -9.3723 -1.7598 -0.5583 H 1 UNL1111111111 0.1336 45 H 5.9108 -0.9408 -1.3689 H 1 UNL1111111111 0.2151 46 H 5.2634 -1.3233 0.2256 H 1 UNL1111111111 0.1890 47 H -10.8247 -0.7061 1.2365 H 1 UNL1111111111 0.1423 48 H -10.9350 0.7744 0.2779 H 1 UNL1111111111 0.1423 49 H -11.6499 -0.7246 -0.3259 H 1 UNL1111111111 0.1401 50 H 5.1026 2.1716 -1.5243 H 1 UNL1111111111 0.3201 51 H 8.6839 -2.3808 0.1373 H 1 UNL1111111111 0.3560 @BOND 1 1 14 1 2 1 50 1 3 2 19 1 4 2 51 1 5 3 19 2 6 4 5 1 7 4 6 1 8 4 20 1 9 4 21 1 10 5 7 1 11 5 22 1 12 5 23 1 13 6 8 1 14 6 24 1 15 6 25 1 16 7 9 1 17 7 26 1 18 7 27 1 19 8 10 1 20 8 28 1 21 8 29 1 22 9 11 1 23 9 30 1 24 9 31 1 25 10 12 1 26 10 32 1 27 10 33 1 28 11 13 1 29 11 34 1 30 11 35 1 31 12 14 1 32 12 36 1 33 12 37 1 34 13 15 1 35 13 38 1 36 13 39 1 37 14 17 1 38 14 40 1 39 15 16 1 40 15 41 1 41 15 42 1 42 16 18 1 43 16 43 1 44 16 44 1 45 17 19 1 46 17 45 1 47 17 46 1 48 18 47 1 49 18 48 1 50 18 49 1