@MOLECULE (2r,3r,4r)-4-hydroxy-3-[(1e,4r)-4-hydroxy-4-methyl-1-octen-1-yl]-2-(8-hydroxy-7-oxooctyl)cyclopentanone 65 65 0 0 0 SMALL GASTEIGER @ATOM 1 O -3.9163 4.2995 -1.3794 O.3 1 UNL1111111111 -0.5578 2 O -0.1368 4.5531 1.2013 O.2 1 UNL1111111111 -0.4545 3 O -2.6780 -2.3183 -1.3370 O.3 1 UNL1111111111 -0.5699 4 O 6.7949 -0.7225 -1.4306 O.2 1 UNL1111111111 -0.3871 5 O 8.9936 -1.5346 -0.2372 O.3 1 UNL1111111111 -0.4869 6 C -1.3768 2.6277 0.4273 C.3 1 UNL1111111111 -0.2261 7 C -2.7168 2.5688 -0.3462 C.3 1 UNL1111111111 -0.1462 8 C -3.4249 3.9256 -0.1079 C.3 1 UNL1111111111 0.1633 9 C -2.3504 4.9202 0.3617 C.3 1 UNL1111111111 -0.4634 10 C -0.2397 1.9935 -0.3743 C.3 1 UNL1111111111 -0.2615 11 C -1.1371 4.0968 0.7201 C.2 1 UNL1111111111 0.4888 12 C 0.9879 1.7273 0.5038 C.3 1 UNL1111111111 -0.2780 13 C -3.5155 1.3998 0.1255 C.2 1 UNL1111111111 -0.2089 14 C 2.1020 1.0762 -0.3244 C.3 1 UNL1111111111 -0.2687 15 C -3.5268 0.2452 -0.5466 C.2 1 UNL1111111111 -0.1096 16 C -4.2241 -0.9795 -0.0587 C.3 1 UNL1111111111 -0.3594 17 C -3.2362 -2.1754 -0.0426 C.3 1 UNL1111111111 0.3416 18 C 3.3340 0.8039 0.5475 C.3 1 UNL1111111111 -0.2750 19 C -3.9926 -3.4628 0.3435 C.3 1 UNL1111111111 -0.3539 20 C 4.4424 0.1432 -0.2790 C.3 1 UNL1111111111 -0.2487 21 C -2.0291 -1.9023 0.8546 C.3 1 UNL1111111111 -0.4728 22 C -3.1053 -4.7036 0.2009 C.3 1 UNL1111111111 -0.2597 23 C 5.6672 -0.1531 0.5923 C.3 1 UNL1111111111 -0.3946 24 C -3.9285 -5.9867 0.3707 C.3 1 UNL1111111111 -0.2539 25 C -3.0356 -7.2218 0.2506 C.3 1 UNL1111111111 -0.4391 26 C 6.7740 -0.7656 -0.2326 C.2 1 UNL1111111111 0.4448 27 C 7.8517 -1.4594 0.5931 C.3 1 UNL1111111111 -0.1324 28 H -1.4770 2.0956 1.4060 H 1 UNL1111111111 0.1708 29 H -2.5204 2.4913 -1.4494 H 1 UNL1111111111 0.1805 30 H -4.2758 3.8520 0.5957 H 1 UNL1111111111 0.1175 31 H -2.0919 5.6331 -0.4485 H 1 UNL1111111111 0.1942 32 H -2.6761 5.5410 1.2116 H 1 UNL1111111111 0.1739 33 H -0.5929 1.0390 -0.8182 H 1 UNL1111111111 0.1505 34 H 0.0377 2.6399 -1.2295 H 1 UNL1111111111 0.1475 35 H 1.3460 2.6784 0.9496 H 1 UNL1111111111 0.1611 36 H 0.7175 1.0784 1.3569 H 1 UNL1111111111 0.1322 37 H -4.0456 1.5336 1.0641 H 1 UNL1111111111 0.1441 38 H 2.3752 1.7331 -1.1727 H 1 UNL1111111111 0.1416 39 H 1.7380 0.1332 -0.7756 H 1 UNL1111111111 0.1396 40 H -2.9993 0.1167 -1.4951 H 1 UNL1111111111 0.1620 41 H -4.6508 -0.8405 0.9523 H 1 UNL1111111111 0.1522 42 H -5.0852 -1.2057 -0.7192 H 1 UNL1111111111 0.1528 43 H -4.4560 5.1095 -1.3257 H 1 UNL1111111111 0.3148 44 H 3.6981 1.7514 0.9869 H 1 UNL1111111111 0.1386 45 H 3.0558 0.1591 1.4007 H 1 UNL1111111111 0.1323 46 H -4.8920 -3.5734 -0.2903 H 1 UNL1111111111 0.1408 47 H -4.3638 -3.3798 1.3812 H 1 UNL1111111111 0.1472 48 H 4.7338 0.7953 -1.1279 H 1 UNL1111111111 0.1575 49 H 4.0739 -0.7912 -0.7447 H 1 UNL1111111111 0.1456 50 H -1.2641 -2.6787 0.7252 H 1 UNL1111111111 0.1623 51 H -2.3114 -1.8647 1.9092 H 1 UNL1111111111 0.1478 52 H -1.5517 -0.9479 0.5904 H 1 UNL1111111111 0.1675 53 H -2.6019 -4.6996 -0.7865 H 1 UNL1111111111 0.1525 54 H -2.2891 -4.6776 0.9470 H 1 UNL1111111111 0.1392 55 H -3.3517 -2.5880 -1.9866 H 1 UNL1111111111 0.3142 56 H 6.0363 0.7852 1.0586 H 1 UNL1111111111 0.1698 57 H 5.3875 -0.8147 1.4335 H 1 UNL1111111111 0.1566 58 H -4.4388 -5.9832 1.3522 H 1 UNL1111111111 0.1322 59 H -4.7317 -6.0273 -0.3889 H 1 UNL1111111111 0.1325 60 H -2.5377 -7.2623 -0.7251 H 1 UNL1111111111 0.1451 61 H -2.2546 -7.2282 1.0190 H 1 UNL1111111111 0.1425 62 H -3.6154 -8.1443 0.3627 H 1 UNL1111111111 0.1404 63 H 8.0917 -0.8928 1.5092 H 1 UNL1111111111 0.1298 64 H 7.5238 -2.4824 0.8601 H 1 UNL1111111111 0.1391 65 H 9.7566 -1.8678 0.2821 H 1 UNL1111111111 0.3011 @BOND 1 1 8 1 2 1 43 1 3 2 11 2 4 3 17 1 5 3 55 1 6 4 26 2 7 5 27 1 8 5 65 1 9 6 7 1 10 6 10 1 11 6 11 1 12 6 28 1 13 7 8 1 14 7 13 1 15 7 29 1 16 8 9 1 17 8 30 1 18 9 11 1 19 9 31 1 20 9 32 1 21 10 12 1 22 10 33 1 23 10 34 1 24 12 14 1 25 12 35 1 26 12 36 1 27 13 15 2 28 13 37 1 29 14 18 1 30 14 38 1 31 14 39 1 32 15 16 1 33 15 40 1 34 16 17 1 35 16 41 1 36 16 42 1 37 17 19 1 38 17 21 1 39 18 20 1 40 18 44 1 41 18 45 1 42 19 22 1 43 19 46 1 44 19 47 1 45 20 23 1 46 20 48 1 47 20 49 1 48 21 50 1 49 21 51 1 50 21 52 1 51 22 24 1 52 22 53 1 53 22 54 1 54 23 26 1 55 23 56 1 56 23 57 1 57 24 25 1 58 24 58 1 59 24 59 1 60 25 60 1 61 25 61 1 62 25 62 1 63 26 27 1 64 27 63 1 65 27 64 1