@MOLECULE 6-{[(1s,2r)-2-(1-octyn-1-yl)cyclopentyl]oxy}hexanoic acid 54 54 0 0 0 SMALL GASTEIGER @ATOM 1 O -1.9624 1.5372 0.8379 O.3 1 UNL1111 -0.4299 2 O 0.7559 0.6617 -2.3825 O.3 1 UNL1111 -0.5567 3 O 2.7390 -0.2396 -1.9285 O.2 1 UNL1111 -0.5280 4 C -2.5869 0.2700 0.8691 C.3 1 UNL1111 0.1310 5 C -2.6714 -0.2483 -0.6007 C.3 1 UNL1111 -0.1220 6 C -4.0335 0.5155 1.3305 C.3 1 UNL1111 -0.3070 7 C -4.1509 -0.6345 -0.8428 C.3 1 UNL1111 -0.2588 8 C -4.9008 -0.4245 0.4850 C.3 1 UNL1111 -0.2624 9 C -1.7729 -1.3452 -0.7906 C.1 1 UNL1111 -0.1293 10 C -0.6766 1.5907 1.4405 C.3 1 UNL1111 -0.0324 11 C -0.1620 2.9855 1.0655 C.3 1 UNL1111 -0.2865 12 C 0.4674 2.9880 -0.3308 C.3 1 UNL1111 -0.2686 13 C -0.9941 -2.2667 -0.9115 C.1 1 UNL1111 -0.1043 14 C -0.0341 -3.3288 -0.9804 C.3 1 UNL1111 -0.2366 15 C 1.9335 2.5414 -0.2894 C.3 1 UNL1111 -0.2512 16 C 0.8699 -3.2979 0.2720 C.3 1 UNL1111 -0.2522 17 C 1.7795 -2.0646 0.2547 C.3 1 UNL1111 -0.2779 18 C 2.4298 -1.8323 1.6221 C.3 1 UNL1111 -0.2693 19 C 2.4388 2.1602 -1.6877 C.3 1 UNL1111 -0.3456 20 C 3.4567 -0.6946 1.5365 C.3 1 UNL1111 -0.2491 21 C 3.9594 -0.2970 2.9237 C.3 1 UNL1111 -0.4403 22 C 2.0519 0.7469 -1.9954 C.2 1 UNL1111 0.6521 23 H -2.0533 -0.4402 1.5275 H 1 UNL1111 0.1228 24 H -2.3885 0.6010 -1.2804 H 1 UNL1111 0.1767 25 H -4.1548 0.3423 2.4096 H 1 UNL1111 0.1378 26 H -4.3028 1.5750 1.1538 H 1 UNL1111 0.1591 27 H -4.5811 -0.0035 -1.6384 H 1 UNL1111 0.1379 28 H -4.2442 -1.6756 -1.1912 H 1 UNL1111 0.1430 29 H -5.0466 -1.3886 1.0037 H 1 UNL1111 0.1358 30 H -5.9066 -0.0064 0.3173 H 1 UNL1111 0.1351 31 H -0.7982 1.4723 2.5310 H 1 UNL1111 0.1120 32 H -0.0351 0.7828 1.0505 H 1 UNL1111 0.1237 33 H -1.0178 3.6940 1.0894 H 1 UNL1111 0.1564 34 H 0.5501 3.3489 1.8252 H 1 UNL1111 0.1379 35 H -0.1237 2.3229 -0.9992 H 1 UNL1111 0.1733 36 H 0.3916 3.9943 -0.7816 H 1 UNL1111 0.1328 37 H 0.5906 -3.2504 -1.9000 H 1 UNL1111 0.1594 38 H -0.5399 -4.3187 -1.0541 H 1 UNL1111 0.1550 39 H 2.5628 3.3513 0.1266 H 1 UNL1111 0.1405 40 H 2.0572 1.6875 0.4080 H 1 UNL1111 0.1485 41 H 0.2414 -3.2993 1.1828 H 1 UNL1111 0.1411 42 H 1.4791 -4.2183 0.3160 H 1 UNL1111 0.1337 43 H 2.5570 -2.1759 -0.5277 H 1 UNL1111 0.1570 44 H 1.2000 -1.1683 -0.0398 H 1 UNL1111 0.1402 45 H 1.6554 -1.5923 2.3738 H 1 UNL1111 0.1331 46 H 2.9213 -2.7567 1.9757 H 1 UNL1111 0.1337 47 H 2.0300 2.8552 -2.4516 H 1 UNL1111 0.1795 48 H 3.5442 2.2534 -1.7417 H 1 UNL1111 0.1717 49 H 3.0108 0.1821 1.0281 H 1 UNL1111 0.1306 50 H 4.3043 -1.0043 0.8950 H 1 UNL1111 0.1405 51 H 4.3729 -1.1581 3.4599 H 1 UNL1111 0.1405 52 H 3.1540 0.1169 3.5384 H 1 UNL1111 0.1398 53 H 4.7505 0.4578 2.8577 H 1 UNL1111 0.1368 54 H 0.4301 -0.2679 -2.4969 H 1 UNL1111 0.3592 @BOND 1 1 4 1 2 1 10 1 3 2 22 1 4 2 54 1 5 3 22 2 6 4 5 1 7 4 6 1 8 4 23 1 9 5 7 1 10 5 9 1 11 5 24 1 12 6 8 1 13 6 25 1 14 6 26 1 15 7 8 1 16 7 27 1 17 7 28 1 18 8 29 1 19 8 30 1 20 9 13 3 21 10 11 1 22 10 31 1 23 10 32 1 24 11 12 1 25 11 33 1 26 11 34 1 27 12 15 1 28 12 35 1 29 12 36 1 30 13 14 1 31 14 16 1 32 14 37 1 33 14 38 1 34 15 19 1 35 15 39 1 36 15 40 1 37 16 17 1 38 16 41 1 39 16 42 1 40 17 18 1 41 17 43 1 42 17 44 1 43 18 20 1 44 18 45 1 45 18 46 1 46 19 22 1 47 19 47 1 48 19 48 1 49 20 21 1 50 20 49 1 51 20 50 1 52 21 51 1 53 21 52 1 54 21 53 1