@MOLECULE (7e)-2,3-dihydroxy-8-(6-pentyltetrahydro-2h-pyran-2-yl)-7-octenoic acid 55 55 0 0 0 SMALL GASTEIGER @ATOM 1 O -3.2777 0.8004 0.1808 O.3 1 UNL1111111111 -0.4189 2 O 4.1000 0.0639 -1.4156 O.3 1 UNL1111111111 -0.5427 3 O 6.1555 1.0937 0.1583 O.3 1 UNL1111111111 -0.5257 4 O 5.6214 -2.3832 0.7276 O.3 1 UNL1111111111 -0.5574 5 O 7.0576 -1.3797 -0.6657 O.2 1 UNL1111111111 -0.4900 6 C -4.5829 0.5801 -0.3338 C.3 1 UNL1111111111 0.1246 7 C -5.5277 1.6986 0.1344 C.3 1 UNL1111111111 -0.3298 8 C -4.9710 3.0549 -0.3116 C.3 1 UNL1111111111 -0.2569 9 C -3.5341 3.2167 0.1942 C.3 1 UNL1111111111 -0.3184 10 C -2.6890 2.0166 -0.2674 C.3 1 UNL1111111111 0.1130 11 C -4.9783 -0.7829 0.2517 C.3 1 UNL1111111111 -0.3053 12 C -4.1317 -1.8985 -0.3708 C.3 1 UNL1111111111 -0.2667 13 C -1.3434 2.0238 0.3924 C.2 1 UNL1111111111 -0.1927 14 C -4.4787 -3.2563 0.2511 C.3 1 UNL1111111111 -0.2703 15 C -0.2657 2.5708 -0.1729 C.2 1 UNL1111111111 -0.1583 16 C -3.6340 -4.3719 -0.3790 C.3 1 UNL1111111111 -0.2497 17 C 1.0859 2.5235 0.4682 C.3 1 UNL1111111111 -0.2793 18 C 1.8579 1.3125 -0.0817 C.3 1 UNL1111111111 -0.2498 19 C 3.2516 1.2217 0.5447 C.3 1 UNL1111111111 -0.3335 20 C 4.0046 0.0128 -0.0152 C.3 1 UNL1111111111 0.1282 21 C -3.9770 -5.7294 0.2344 C.3 1 UNL1111111111 -0.4410 22 C 5.4392 -0.0398 0.5736 C.3 1 UNL1111111111 0.0159 23 C 6.1476 -1.2968 0.1137 C.2 1 UNL1111111111 0.5976 24 H -4.5262 0.5473 -1.4434 H 1 UNL1111111111 0.1141 25 H -6.5422 1.5394 -0.2678 H 1 UNL1111111111 0.1395 26 H -5.6195 1.6727 1.2366 H 1 UNL1111111111 0.1523 27 H -5.0038 3.1403 -1.4138 H 1 UNL1111111111 0.1350 28 H -5.6055 3.8739 0.0744 H 1 UNL1111111111 0.1356 29 H -3.5261 3.2714 1.2992 H 1 UNL1111111111 0.1536 30 H -3.0889 4.1588 -0.1672 H 1 UNL1111111111 0.1416 31 H -2.6171 1.9795 -1.3780 H 1 UNL1111111111 0.1217 32 H -4.8310 -0.7671 1.3499 H 1 UNL1111111111 0.1549 33 H -6.0532 -0.9689 0.0814 H 1 UNL1111111111 0.1409 34 H -4.2834 -1.9295 -1.4651 H 1 UNL1111111111 0.1333 35 H -3.0563 -1.6726 -0.2201 H 1 UNL1111111111 0.1542 36 H -1.3186 1.5272 1.3625 H 1 UNL1111111111 0.1651 37 H -5.5541 -3.4737 0.1167 H 1 UNL1111111111 0.1336 38 H -4.3089 -3.2267 1.3437 H 1 UNL1111111111 0.1371 39 H -0.3005 3.0581 -1.1437 H 1 UNL1111111111 0.1433 40 H 1.6452 3.4583 0.2692 H 1 UNL1111111111 0.1416 41 H 1.0076 2.4539 1.5710 H 1 UNL1111111111 0.1448 42 H -3.7973 -4.3990 -1.4726 H 1 UNL1111111111 0.1327 43 H -2.5580 -4.1543 -0.2389 H 1 UNL1111111111 0.1354 44 H 1.9359 1.3773 -1.1845 H 1 UNL1111111111 0.1491 45 H 1.2856 0.3846 0.1168 H 1 UNL1111111111 0.1494 46 H 3.8269 2.1498 0.3510 H 1 UNL1111111111 0.1600 47 H 3.1727 1.1489 1.6448 H 1 UNL1111111111 0.1512 48 H 3.4636 -0.9471 0.1632 H 1 UNL1111111111 0.1620 49 H -3.7969 -5.7375 1.3150 H 1 UNL1111111111 0.1421 50 H -3.3714 -6.5288 -0.2062 H 1 UNL1111111111 0.1393 51 H -5.0295 -5.9872 0.0737 H 1 UNL1111111111 0.1408 52 H 5.4298 0.0345 1.6881 H 1 UNL1111111111 0.1787 53 H 4.3848 0.9529 -1.7172 H 1 UNL1111111111 0.3230 54 H 6.6397 0.9174 -0.6855 H 1 UNL1111111111 0.3397 55 H 6.0287 -3.2396 0.4415 H 1 UNL1111111111 0.3618 @BOND 1 1 6 1 2 1 10 1 3 2 20 1 4 2 53 1 5 3 22 1 6 3 54 1 7 4 23 1 8 4 55 1 9 5 23 2 10 6 7 1 11 6 11 1 12 6 24 1 13 7 8 1 14 7 25 1 15 7 26 1 16 8 9 1 17 8 27 1 18 8 28 1 19 9 10 1 20 9 29 1 21 9 30 1 22 10 13 1 23 10 31 1 24 11 12 1 25 11 32 1 26 11 33 1 27 12 14 1 28 12 34 1 29 12 35 1 30 13 15 2 31 13 36 1 32 14 16 1 33 14 37 1 34 14 38 1 35 15 17 1 36 15 39 1 37 16 21 1 38 16 42 1 39 16 43 1 40 17 18 1 41 17 40 1 42 17 41 1 43 18 19 1 44 18 44 1 45 18 45 1 46 19 20 1 47 19 46 1 48 19 47 1 49 20 22 1 50 20 48 1 51 21 49 1 52 21 50 1 53 21 51 1 54 22 23 1 55 22 52 1