@MOLECULE (5r,9s,11e,12as,13s,15s,16s,18as)-16-benzyl-5,13-dihydroxy-9,15-dimethyl-14-methylene-4,5,6,7,8,9,10,12a,13,14,15,15a,16,17-tetradecahydro-2h-oxacyclotetradecino[2,3-d]isoindole-2,18(3h)-dione 67 70 0 0 0 SMALL GASTEIGER @ATOM 1 O -0.6898 0.7970 1.0100 O.3 1 UNL11111 -0.4227 2 O -0.3532 -3.6912 -0.8234 O.3 1 UNL11111 -0.5454 3 O -0.1386 1.2417 -1.6979 O.2 1 UNL11111 -0.4790 4 O -1.0863 -0.4998 2.8105 O.2 1 UNL11111 -0.5191 5 O -2.3159 2.8870 0.1428 O.3 1 UNL11111 -0.2181 6 N 1.9371 0.6216 -0.9889 N.am 1 UNL11111 -0.6174 7 C 1.4301 -0.4309 1.1186 C.3 1 UNL11111 -0.1950 8 C 0.1158 -0.1495 0.3378 C.3 1 UNL11111 0.1814 9 C 2.5909 -0.0332 0.1511 C.3 1 UNL11111 0.0974 10 C 1.5264 -1.8981 1.5726 C.3 1 UNL11111 -0.1097 11 C -0.6671 -1.4168 -0.0187 C.3 1 UNL11111 -0.2315 12 C 0.3211 -2.4685 -0.5929 C.3 1 UNL11111 0.1454 13 C 0.5630 0.6706 -0.9033 C.2 1 UNL11111 0.5592 14 C 1.4168 -2.8154 0.3893 C.2 1 UNL11111 -0.0268 15 C 3.6060 0.9177 0.8193 C.3 1 UNL11111 -0.3341 16 C 2.7902 -2.1184 2.4063 C.3 1 UNL11111 -0.4441 17 C -1.7725 -1.1883 -0.9987 C.2 1 UNL11111 -0.1892 18 C 2.1759 -3.8923 0.1708 C.2 1 UNL11111 -0.3072 19 C 4.7707 1.1667 -0.0869 C.ar 1 UNL11111 0.0305 20 C -1.2442 0.5362 2.2213 C.2 1 UNL11111 0.6232 21 C -2.9332 -1.8476 -0.9144 C.2 1 UNL11111 -0.1618 22 C -4.0414 -1.6905 -1.9069 C.3 1 UNL11111 -0.2734 23 C -2.0100 1.7509 2.6584 C.3 1 UNL11111 -0.3341 24 C -4.7237 -0.3099 -1.7809 C.3 1 UNL11111 -0.3533 25 C 5.7534 0.1525 -0.2230 C.ar 1 UNL11111 -0.2024 26 C 4.8441 2.4041 -0.7834 C.ar 1 UNL11111 -0.2039 27 C -3.3876 1.8154 1.9937 C.3 1 UNL11111 -0.2942 28 C -5.3221 -0.1313 -0.3738 C.3 1 UNL11111 -0.2570 29 C -3.2532 1.9868 0.4640 C.3 1 UNL11111 0.0483 30 C -5.7052 1.3188 -0.0578 C.3 1 UNL11111 -0.2769 31 C -4.5822 2.3395 -0.2373 C.3 1 UNL11111 -0.3125 32 C -5.7281 -0.1118 -2.8112 C.3 1 UNL11111 0.1247 33 C 6.7782 0.4527 -1.0819 C.ar 1 UNL11111 0.0209 34 C 5.9374 2.5381 -1.6035 C.ar 1 UNL11111 0.0246 35 C 6.8459 1.5943 -1.7329 C.ar 1 UNL11111 -0.0696 36 H 1.4509 0.2225 2.0213 H 1 UNL11111 0.1670 37 H 3.1260 -0.9547 -0.2210 H 1 UNL11111 0.1603 38 H 0.6395 -2.1073 2.2449 H 1 UNL11111 0.1828 39 H -1.0947 -1.8428 0.9336 H 1 UNL11111 0.1979 40 H 0.7483 -2.1197 -1.5634 H 1 UNL11111 0.1371 41 H 2.4749 1.1232 -1.6706 H 1 UNL11111 0.3317 42 H 3.9493 0.4788 1.7785 H 1 UNL11111 0.1680 43 H 3.1032 1.8679 1.0997 H 1 UNL11111 0.1708 44 H 2.7954 -3.1221 2.8504 H 1 UNL11111 0.1526 45 H 3.7014 -2.0197 1.8076 H 1 UNL11111 0.1450 46 H 2.8490 -1.4042 3.2355 H 1 UNL11111 0.1448 47 H -1.5711 -0.4730 -1.7991 H 1 UNL11111 0.1804 48 H 2.0353 -4.5395 -0.6813 H 1 UNL11111 0.1600 49 H 2.9680 -4.2209 0.8203 H 1 UNL11111 0.1431 50 H -1.1413 -3.5511 -1.3899 H 1 UNL11111 0.3192 51 H -3.1372 -2.5474 -0.1030 H 1 UNL11111 0.1520 52 H -3.6578 -1.8173 -2.9411 H 1 UNL11111 0.1550 53 H -4.8003 -2.4872 -1.7751 H 1 UNL11111 0.1443 54 H -2.1104 1.7391 3.7635 H 1 UNL11111 0.1724 55 H -1.4378 2.6732 2.3981 H 1 UNL11111 0.1945 56 H -3.9359 0.4823 -1.9491 H 1 UNL11111 0.1974 57 H 5.6881 -0.7877 0.3137 H 1 UNL11111 0.1779 58 H 4.0928 3.1726 -0.6661 H 1 UNL11111 0.1830 59 H -3.9868 0.9198 2.2256 H 1 UNL11111 0.1501 60 H -3.9529 2.6729 2.4092 H 1 UNL11111 0.1568 61 H -4.6029 -0.4994 0.3828 H 1 UNL11111 0.1452 62 H -6.2173 -0.7761 -0.2694 H 1 UNL11111 0.1378 63 H -2.8236 1.0342 0.0092 H 1 UNL11111 0.2036 64 H -6.5580 1.6153 -0.7027 H 1 UNL11111 0.1483 65 H -6.0935 1.3667 0.9789 H 1 UNL11111 0.1376 66 H -4.3736 2.4941 -1.3177 H 1 UNL11111 0.1556 67 H -4.9224 3.3309 0.1285 H 1 UNL11111 0.1505 @BOND 1 34 35 ar 2 34 26 ar 3 35 33 ar 4 58 26 1 5 26 19 ar 6 41 6 1 7 33 25 ar 8 3 13 2 9 6 13 am 10 6 9 1 11 32 24 1 12 19 25 ar 13 19 15 1 14 66 31 1 15 25 57 1 16 52 22 1 17 56 24 1 18 13 8 1 19 47 17 1 20 40 12 1 21 24 22 1 22 24 28 1 23 5 29 1 24 37 9 1 25 22 53 1 26 22 21 1 27 9 15 1 28 9 7 1 29 43 15 1 30 31 67 1 31 31 29 1 32 31 30 1 33 15 42 1 34 17 21 2 35 17 11 1 36 64 30 1 37 63 29 1 38 29 27 1 39 50 2 1 40 8 11 1 41 8 1 1 42 8 7 1 43 12 11 1 44 12 2 1 45 12 14 1 46 21 51 1 47 30 28 1 48 30 65 1 49 11 39 1 50 28 62 1 51 28 61 1 52 1 20 1 53 48 18 1 54 7 36 1 55 7 10 1 56 14 18 2 57 14 10 1 58 18 49 1 59 55 23 1 60 27 60 1 61 27 23 1 62 27 59 1 63 45 16 1 64 10 16 1 65 10 38 1 66 20 23 1 67 20 4 2 68 23 54 1 69 16 46 1 70 16 44 1