@MOLECULE (2-{(2r,3as,4r,5r,6as)-5-hydroxy-4-[(1e,3s,5s)-3-hydroxy-5-methyl-1-nonen-1-yl]octahydro-2-pentalenyl}ethoxy)acetic acid 65 66 0 0 0 SMALL GASTEIGER @ATOM 1 O -4.4245 -0.7874 -1.1150 O.3 1 UNL1111111111 -0.5616 2 O 0.9144 2.9260 -1.9325 O.3 1 UNL1111111111 -0.3519 3 O -0.2277 -4.3622 -1.6991 O.3 1 UNL1111111111 -0.5603 4 O 2.3673 -0.2270 -2.7252 O.3 1 UNL1111111111 -0.5742 5 O 3.2671 1.4240 -1.5318 O.2 1 UNL1111111111 -0.4992 6 C -2.0125 0.3815 1.2627 C.3 1 UNL1111111111 -0.1133 7 C -3.1671 1.4162 1.3872 C.3 1 UNL1111111111 -0.1028 8 C -2.4345 -0.5735 0.1216 C.3 1 UNL1111111111 -0.1519 9 C -0.7621 1.1893 0.9073 C.3 1 UNL1111111111 -0.3001 10 C -1.2953 2.3588 0.0572 C.3 1 UNL1111111111 -0.0809 11 C -2.6702 2.6989 0.6823 C.3 1 UNL1111111111 -0.3005 12 C -4.4066 0.7717 0.7427 C.3 1 UNL1111111111 -0.3591 13 C -3.9731 -0.6148 0.2144 C.3 1 UNL1111111111 0.1628 14 C -0.3474 3.5571 0.0288 C.3 1 UNL1111111111 -0.3301 15 C -1.7611 -1.8941 0.2678 C.2 1 UNL1111111111 -0.1808 16 C 1.0290 3.2030 -0.5409 C.3 1 UNL1111111111 -0.0462 17 C -1.0187 -2.4157 -0.7124 C.2 1 UNL1111111111 -0.1600 18 C -0.1273 -3.6036 -0.5016 C.3 1 UNL1111111111 0.1514 19 C 1.3254 -3.1188 -0.3062 C.3 1 UNL1111111111 -0.3517 20 C 1.4983 -2.3788 1.0328 C.3 1 UNL1111111111 -0.0749 21 C 0.9313 1.5704 -2.2875 C.3 1 UNL1111111111 -0.1126 22 C 2.6340 -1.3429 0.9288 C.3 1 UNL1111111111 -0.2892 23 C 1.7693 -3.3761 2.1636 C.3 1 UNL1111111111 -0.4570 24 C 2.5335 -0.3007 2.0504 C.3 1 UNL1111111111 -0.2711 25 C 2.3126 0.9879 -2.1140 C.2 1 UNL1111111111 0.6061 26 C 3.5453 0.8321 1.8398 C.3 1 UNL1111111111 -0.2616 27 C 3.3206 1.9562 2.8510 C.3 1 UNL1111111111 -0.4361 28 H -1.8752 -0.1781 2.2075 H 1 UNL1111111111 0.1326 29 H -3.3697 1.6391 2.4539 H 1 UNL1111111111 0.1275 30 H -2.1839 -0.1150 -0.8715 H 1 UNL1111111111 0.1719 31 H -0.0164 0.5792 0.3746 H 1 UNL1111111111 0.1430 32 H -0.2652 1.5632 1.8190 H 1 UNL1111111111 0.1410 33 H -1.4644 2.0119 -0.9905 H 1 UNL1111111111 0.1408 34 H -2.5812 3.5230 1.4076 H 1 UNL1111111111 0.1345 35 H -3.3748 3.0472 -0.0872 H 1 UNL1111111111 0.1389 36 H -4.7862 1.3820 -0.0967 H 1 UNL1111111111 0.1622 37 H -5.2351 0.6897 1.4600 H 1 UNL1111111111 0.1365 38 H -4.3477 -1.4498 0.8349 H 1 UNL1111111111 0.1125 39 H -0.7982 4.3659 -0.5813 H 1 UNL1111111111 0.1538 40 H -0.2217 3.9778 1.0445 H 1 UNL1111111111 0.1438 41 H -1.8655 -2.3717 1.2393 H 1 UNL1111111111 0.1429 42 H -5.3839 -0.9511 -1.1416 H 1 UNL1111111111 0.3121 43 H 1.7061 4.0808 -0.5356 H 1 UNL1111111111 0.1419 44 H 1.5208 2.3866 0.0123 H 1 UNL1111111111 0.1382 45 H -0.9717 -1.9935 -1.7166 H 1 UNL1111111111 0.1702 46 H -0.4589 -4.2640 0.3291 H 1 UNL1111111111 0.1196 47 H 2.0211 -3.9730 -0.3654 H 1 UNL1111111111 0.1392 48 H 1.5945 -2.4585 -1.1553 H 1 UNL1111111111 0.1608 49 H 0.5512 -1.8272 1.2636 H 1 UNL1111111111 0.1443 50 H 0.1828 0.9731 -1.7281 H 1 UNL1111111111 0.1667 51 H 0.6376 1.5896 -3.3613 H 1 UNL1111111111 0.1847 52 H 0.5123 -4.9903 -1.7778 H 1 UNL1111111111 0.3106 53 H 3.6174 -1.8439 0.9599 H 1 UNL1111111111 0.1383 54 H 2.5896 -0.8303 -0.0517 H 1 UNL1111111111 0.1378 55 H 1.8297 -2.8690 3.1331 H 1 UNL1111111111 0.1446 56 H 2.7153 -3.9078 2.0163 H 1 UNL1111111111 0.1439 57 H 0.9751 -4.1263 2.2353 H 1 UNL1111111111 0.1407 58 H 2.7029 -0.7791 3.0323 H 1 UNL1111111111 0.1345 59 H 1.5089 0.1141 2.0920 H 1 UNL1111111111 0.1345 60 H 3.4693 1.2324 0.8084 H 1 UNL1111111111 0.1529 61 H 4.5760 0.4412 1.9256 H 1 UNL1111111111 0.1349 62 H 2.3197 2.3899 2.7536 H 1 UNL1111111111 0.1372 63 H 4.0455 2.7655 2.7070 H 1 UNL1111111111 0.1419 64 H 3.4281 1.5969 3.8799 H 1 UNL1111111111 0.1390 65 H 3.2517 -0.6623 -2.6764 H 1 UNL1111111111 0.3564 @BOND 1 1 13 1 2 1 42 1 3 2 16 1 4 2 21 1 5 3 18 1 6 3 52 1 7 4 25 1 8 4 65 1 9 5 25 2 10 6 7 1 11 6 8 1 12 6 9 1 13 6 28 1 14 7 11 1 15 7 12 1 16 7 29 1 17 8 13 1 18 8 15 1 19 8 30 1 20 9 10 1 21 9 31 1 22 9 32 1 23 10 11 1 24 10 14 1 25 10 33 1 26 11 34 1 27 11 35 1 28 12 13 1 29 12 36 1 30 12 37 1 31 13 38 1 32 14 16 1 33 14 39 1 34 14 40 1 35 15 17 2 36 15 41 1 37 16 43 1 38 16 44 1 39 17 18 1 40 17 45 1 41 18 19 1 42 18 46 1 43 19 20 1 44 19 47 1 45 19 48 1 46 20 22 1 47 20 23 1 48 20 49 1 49 21 25 1 50 21 50 1 51 21 51 1 52 22 24 1 53 22 53 1 54 22 54 1 55 23 55 1 56 23 56 1 57 23 57 1 58 24 26 1 59 24 58 1 60 24 59 1 61 26 27 1 62 26 60 1 63 26 61 1 64 27 62 1 65 27 63 1 66 27 64 1