@MOLECULE (2e,4e,7e,9s)-10-[(4s,4as,6r,8s,8ar)-4-({(2s)-2-hydroxy-2-[(2r,5r,6r)-2-methoxy-5,6-dimethyl-4-methylenetetrahydro-2h-pyran-2-yl]acetyl}amino)-8-methoxy-7,7-dimethylhexahydropyrano[3,2-d][1,3]dioxin-6-yl]-9-methoxy-2,4,7-decatrienoic acid 93 95 0 0 0 SMALL GASTEIGER @ATOM 1 O -0.3401 2.1772 -1.0104 O.3 1 UNL1111 -0.3947 2 O -3.2068 2.9110 -1.8589 O.3 1 UNL1111 -0.4216 3 O -2.6695 2.8391 1.6247 O.3 1 UNL1111 -0.3957 4 O -2.2473 1.3393 -3.2841 O.3 1 UNL1111 -0.4268 5 O 0.7606 -0.0410 2.0397 O.3 1 UNL1111 -0.4051 6 O -3.5739 -2.0563 -0.2334 O.3 1 UNL1111 -0.5107 7 O -3.6594 -4.3609 -0.2612 O.3 1 UNL1111 -0.4029 8 O -1.0855 -4.1060 -1.7193 O.3 1 UNL1111 -0.5050 9 O -0.1906 -1.6021 -1.4811 O.2 1 UNL1111 -0.5569 10 O 10.7691 -1.5570 -1.0996 O.3 1 UNL1111 -0.5586 11 O 9.4098 -2.5679 0.3456 O.2 1 UNL1111 -0.5201 12 N -2.1539 -0.6617 -2.1173 N.am 1 UNL1111 -0.6242 13 C -1.1393 4.0534 0.2659 C.3 1 UNL1111 0.0311 14 C -2.5471 3.4157 0.3324 C.3 1 UNL1111 0.0730 15 C -0.0469 2.9669 0.1262 C.3 1 UNL1111 0.1076 16 C -2.7712 2.2621 -0.6731 C.3 1 UNL1111 0.0209 17 C -1.5229 1.4129 -0.9136 C.3 1 UNL1111 -0.0168 18 C 0.1695 2.1105 1.3746 C.3 1 UNL1111 -0.3644 19 C -1.5502 0.6719 -2.2763 C.3 1 UNL1111 0.3038 20 C -0.8956 4.9133 1.5077 C.3 1 UNL1111 -0.4558 21 C -1.0852 4.9369 -0.9900 C.3 1 UNL1111 -0.4641 22 C 1.1197 0.9391 1.0685 C.3 1 UNL1111 0.1138 23 C -3.4255 2.0166 -2.9135 C.3 1 UNL1111 0.1785 24 C -3.9555 2.9619 2.1992 C.3 1 UNL1111 -0.1991 25 C -1.3783 -1.7218 -1.7253 C.2 1 UNL1111 0.5586 26 C -2.8187 -3.2424 -0.2967 C.3 1 UNL1111 0.4348 27 C -2.0517 -3.0951 -1.6468 C.3 1 UNL1111 -0.0091 28 C 2.5472 1.3538 1.2681 C.2 1 UNL1111 -0.2043 29 C -1.8772 -3.4474 0.8974 C.3 1 UNL1111 -0.3500 30 C -3.3156 -1.7960 2.1710 C.3 1 UNL1111 -0.1606 31 C -4.2975 -1.8700 0.9818 C.3 1 UNL1111 0.1647 32 C -2.5341 -3.0829 2.1900 C.2 1 UNL1111 0.0605 33 C 3.3136 1.7707 0.2586 C.2 1 UNL1111 -0.1583 34 C 1.2726 -1.3267 1.7422 C.3 1 UNL1111 -0.2004 35 C -2.3458 -0.6192 2.0738 C.3 1 UNL1111 -0.4392 36 C -5.0869 -0.5862 0.7495 C.3 1 UNL1111 -0.4725 37 C -2.4115 -3.8294 3.2885 C.2 1 UNL1111 -0.3802 38 C 4.7374 2.1970 0.4489 C.3 1 UNL1111 -0.3062 39 C -4.6776 -4.4248 -1.2418 C.3 1 UNL1111 -0.1952 40 C 5.6194 0.9965 0.5612 C.2 1 UNL1111 -0.0508 41 C 6.8059 0.8990 -0.0573 C.2 1 UNL1111 -0.2467 42 C 7.6478 -0.2754 0.0886 C.2 1 UNL1111 -0.0074 43 C 8.8251 -0.4055 -0.5458 C.2 1 UNL1111 -0.3124 44 C 9.6303 -1.6093 -0.3533 C.2 1 UNL1111 0.6498 45 H -3.3189 4.2020 0.1683 H 1 UNL1111 0.1396 46 H 0.9207 3.4263 -0.1986 H 1 UNL1111 0.1486 47 H -3.6076 1.6121 -0.3131 H 1 UNL1111 0.1295 48 H -1.3992 0.6761 -0.0770 H 1 UNL1111 0.1665 49 H 0.5667 2.7272 2.2011 H 1 UNL1111 0.1605 50 H -0.7892 1.7073 1.7659 H 1 UNL1111 0.1848 51 H -0.5112 0.5818 -2.7086 H 1 UNL1111 0.1976 52 H -1.0423 4.3383 2.4322 H 1 UNL1111 0.1638 53 H -1.5868 5.7619 1.5467 H 1 UNL1111 0.1443 54 H 0.1225 5.3169 1.5207 H 1 UNL1111 0.1458 55 H -1.2399 4.3314 -1.8986 H 1 UNL1111 0.1803 56 H -1.8567 5.7115 -0.9813 H 1 UNL1111 0.1407 57 H -0.1162 5.4347 -1.0905 H 1 UNL1111 0.1465 58 H 0.9393 0.5201 0.0476 H 1 UNL1111 0.1572 59 H -4.2230 1.2975 -2.6671 H 1 UNL1111 0.0992 60 H -3.6419 2.6611 -3.7867 H 1 UNL1111 0.1550 61 H -3.1566 -0.7463 -2.1790 H 1 UNL1111 0.3235 62 H -3.8457 2.4395 3.1593 H 1 UNL1111 0.1503 63 H -4.7179 2.4765 1.5838 H 1 UNL1111 0.1183 64 H -4.2054 4.0138 2.3692 H 1 UNL1111 0.1245 65 H -2.7164 -3.2890 -2.5173 H 1 UNL1111 0.1694 66 H 2.8950 1.2955 2.2970 H 1 UNL1111 0.1559 67 H -1.5316 -4.5057 0.8961 H 1 UNL1111 0.1835 68 H -0.9615 -2.8270 0.7631 H 1 UNL1111 0.1833 69 H -3.9151 -1.6903 3.1083 H 1 UNL1111 0.1454 70 H -4.9788 -2.7443 1.1056 H 1 UNL1111 0.1278 71 H 2.9518 1.8086 -0.7687 H 1 UNL1111 0.1589 72 H 0.8354 -1.9578 2.5247 H 1 UNL1111 0.1391 73 H 2.3644 -1.3320 1.8100 H 1 UNL1111 0.1200 74 H 0.9487 -1.6584 0.7468 H 1 UNL1111 0.1395 75 H -1.8198 -0.6124 1.1086 H 1 UNL1111 0.1573 76 H -2.8524 0.3449 2.1895 H 1 UNL1111 0.1484 77 H -1.5671 -0.6727 2.8486 H 1 UNL1111 0.1658 78 H -5.7786 -0.6980 -0.0933 H 1 UNL1111 0.1504 79 H -5.6718 -0.3204 1.6360 H 1 UNL1111 0.1525 80 H -4.4176 0.2542 0.5194 H 1 UNL1111 0.1591 81 H -0.2027 -3.7626 -1.4213 H 1 UNL1111 0.3393 82 H -2.8557 -3.5786 4.2370 H 1 UNL1111 0.1479 83 H -1.8583 -4.7537 3.3249 H 1 UNL1111 0.1528 84 H 5.0574 2.8667 -0.3775 H 1 UNL1111 0.1560 85 H 4.8432 2.8154 1.3708 H 1 UNL1111 0.1648 86 H -5.1660 -3.4593 -1.3972 H 1 UNL1111 0.1290 87 H -5.3860 -5.1454 -0.8121 H 1 UNL1111 0.1455 88 H -4.2606 -4.8192 -2.1752 H 1 UNL1111 0.1317 89 H 5.2271 0.1967 1.1941 H 1 UNL1111 0.1528 90 H 7.1871 1.6966 -0.6959 H 1 UNL1111 0.1612 91 H 7.2788 -1.0706 0.7517 H 1 UNL1111 0.1661 92 H 9.2362 0.3471 -1.2178 H 1 UNL1111 0.1870 93 H 11.3399 -2.3564 -0.9948 H 1 UNL1111 0.3520 @BOND 1 1 15 1 2 1 17 1 3 2 16 1 4 2 23 1 5 3 14 1 6 3 24 1 7 4 19 1 8 4 23 1 9 5 22 1 10 5 34 1 11 6 26 1 12 6 31 1 13 7 26 1 14 7 39 1 15 8 27 1 16 8 81 1 17 9 25 2 18 10 44 1 19 10 93 1 20 11 44 2 21 12 19 1 22 12 25 am 23 12 61 1 24 13 14 1 25 13 15 1 26 13 20 1 27 13 21 1 28 14 16 1 29 14 45 1 30 15 18 1 31 15 46 1 32 16 17 1 33 16 47 1 34 17 19 1 35 17 48 1 36 18 22 1 37 18 49 1 38 18 50 1 39 19 51 1 40 20 52 1 41 20 53 1 42 20 54 1 43 21 55 1 44 21 56 1 45 21 57 1 46 22 28 1 47 22 58 1 48 23 59 1 49 23 60 1 50 24 62 1 51 24 63 1 52 24 64 1 53 25 27 1 54 26 27 1 55 26 29 1 56 27 65 1 57 28 33 2 58 28 66 1 59 29 32 1 60 29 67 1 61 29 68 1 62 30 31 1 63 30 32 1 64 30 35 1 65 30 69 1 66 31 36 1 67 31 70 1 68 32 37 2 69 33 38 1 70 33 71 1 71 34 72 1 72 34 73 1 73 34 74 1 74 35 75 1 75 35 76 1 76 35 77 1 77 36 78 1 78 36 79 1 79 36 80 1 80 37 82 1 81 37 83 1 82 38 40 1 83 38 84 1 84 38 85 1 85 39 86 1 86 39 87 1 87 39 88 1 88 40 41 2 89 40 89 1 90 41 42 1 91 41 90 1 92 42 43 2 93 42 91 1 94 43 44 1 95 43 92 1