@MOLECULE (2r,3r,4s,5r,6e)-n-[3-(2-furyl)-3-phenylpropyl]-3,4,5-trihydroxy-2-methoxy-8,8-dimethyl-6-nonenamide 67 68 0 0 0 SMALL GASTEIGER @ATOM 1 O 0.7202 -3.1936 1.2624 O.2 1 UNL1111111111 -0.5653 2 C 0.1954 -2.2432 0.7097 C.2 1 UNL1111111111 0.5547 3 C -1.3310 -2.0717 0.7836 C.3 1 UNL1111111111 -0.0091 4 O -1.9184 -3.2297 0.2157 O.3 1 UNL1111111111 -0.3755 5 C -2.0084 -4.3316 1.1039 C.3 1 UNL1111111111 -0.1981 6 C -1.9534 -0.9528 -0.0793 C.3 1 UNL1111111111 0.0802 7 O -1.2491 0.2347 0.2286 O.3 1 UNL1111111111 -0.6020 8 C -3.4379 -0.7611 0.3021 C.3 1 UNL1111111111 0.0441 9 O -3.5471 -0.2947 1.6261 O.3 1 UNL1111111111 -0.5377 10 C -4.1275 0.2633 -0.6339 C.3 1 UNL1111111111 0.1073 11 O -3.4901 1.5234 -0.4695 O.3 1 UNL1111111111 -0.5752 12 C -5.5942 0.3591 -0.3572 C.2 1 UNL1111111111 -0.2490 13 C -6.2901 1.4621 -0.6436 C.2 1 UNL1111111111 -0.1352 14 C -7.7604 1.6425 -0.3674 C.3 1 UNL1111111111 0.1085 15 C -7.9086 2.1952 1.0613 C.3 1 UNL1111111111 -0.4582 16 C -8.3396 2.6527 -1.3743 C.3 1 UNL1111111111 -0.4642 17 C -8.5323 0.3200 -0.4938 C.3 1 UNL1111111111 -0.4594 18 N 0.9307 -1.3309 0.0001 N.am 1 UNL1111111111 -0.5752 19 C 2.3899 -1.4451 -0.0676 C.3 1 UNL1111111111 -0.0671 20 C 3.0601 -0.1508 0.4306 C.3 1 UNL1111111111 -0.2960 21 C 4.5879 -0.2460 0.2587 C.3 1 UNL1111111111 -0.1284 22 C 4.9580 -0.4197 -1.1644 C.ar 1 UNL1111111111 0.1093 23 C 5.7610 -1.2918 -1.8498 C.ar 1 UNL1111111111 -0.2522 24 C 5.6827 -0.9108 -3.2383 C.ar 1 UNL1111111111 -0.2196 25 C 4.8430 0.1663 -3.2968 C.ar 1 UNL1111111111 -0.0279 26 O 4.3813 0.4902 -2.0361 O.2 1 UNL1111111111 -0.1900 27 C 5.2710 0.9863 0.8006 C.ar 1 UNL1111111111 -0.0025 28 C 6.2338 0.8511 1.8019 C.ar 1 UNL1111111111 -0.1653 29 C 6.8984 1.9760 2.2865 C.ar 1 UNL1111111111 -0.1398 30 C 6.6066 3.2370 1.7713 C.ar 1 UNL1111111111 -0.1539 31 C 5.6415 3.3737 0.7745 C.ar 1 UNL1111111111 -0.1399 32 C 4.9728 2.2517 0.2916 C.ar 1 UNL1111111111 -0.1578 33 H -1.6125 -1.9486 1.8566 H 1 UNL1111111111 0.1653 34 H -2.3817 -5.1305 0.4513 H 1 UNL1111111111 0.1425 35 H -1.0228 -4.6030 1.5061 H 1 UNL1111111111 0.1609 36 H -2.7170 -4.1165 1.9082 H 1 UNL1111111111 0.1225 37 H -1.8274 -1.1717 -1.1636 H 1 UNL1111111111 0.1475 38 H -1.7573 1.0101 -0.1341 H 1 UNL1111111111 0.3644 39 H -3.9813 -1.7351 0.3087 H 1 UNL1111111111 0.1694 40 H -2.7671 0.2637 1.8540 H 1 UNL1111111111 0.3296 41 H -3.9294 0.0327 -1.7083 H 1 UNL1111111111 0.1550 42 H -3.8035 1.9527 0.3584 H 1 UNL1111111111 0.3352 43 H -6.0446 -0.5196 0.0985 H 1 UNL1111111111 0.1642 44 H -5.8050 2.3316 -1.0937 H 1 UNL1111111111 0.1537 45 H -7.3902 3.1525 1.1773 H 1 UNL1111111111 0.1460 46 H -8.9618 2.3547 1.3149 H 1 UNL1111111111 0.1492 47 H -7.4913 1.5012 1.7999 H 1 UNL1111111111 0.1514 48 H -8.2148 2.3002 -2.4039 H 1 UNL1111111111 0.1472 49 H -9.4103 2.8102 -1.2071 H 1 UNL1111111111 0.1486 50 H -7.8506 3.6291 -1.2937 H 1 UNL1111111111 0.1459 51 H -8.2342 -0.3984 0.2772 H 1 UNL1111111111 0.1474 52 H -9.6107 0.4803 -0.3873 H 1 UNL1111111111 0.1470 53 H -8.3611 -0.1463 -1.4700 H 1 UNL1111111111 0.1476 54 H 0.5138 -0.4756 -0.3390 H 1 UNL1111111111 0.3326 55 H 2.7330 -2.3220 0.5336 H 1 UNL1111111111 0.1711 56 H 2.6792 -1.6499 -1.1256 H 1 UNL1111111111 0.1454 57 H 2.6643 0.7239 -0.1197 H 1 UNL1111111111 0.1542 58 H 2.8129 0.0246 1.4958 H 1 UNL1111111111 0.1623 59 H 4.9443 -1.1522 0.8267 H 1 UNL1111111111 0.1711 60 H 6.3441 -2.1002 -1.4650 H 1 UNL1111111111 0.1713 61 H 6.1955 -1.4005 -4.0385 H 1 UNL1111111111 0.1663 62 H 4.4662 0.8045 -4.0593 H 1 UNL1111111111 0.1681 63 H 6.4731 -0.1312 2.2045 H 1 UNL1111111111 0.1530 64 H 7.6489 1.8674 3.0669 H 1 UNL1111111111 0.1475 65 H 7.1292 4.1131 2.1450 H 1 UNL1111111111 0.1477 66 H 5.4125 4.3576 0.3700 H 1 UNL1111111111 0.1494 67 H 4.2250 2.3626 -0.4929 H 1 UNL1111111111 0.1597 @BOND 1 2 1 2 2 2 18 am 3 3 2 1 4 3 33 1 5 4 3 1 6 5 4 1 7 5 34 1 8 5 35 1 9 5 36 1 10 6 3 1 11 6 7 1 12 6 37 1 13 7 38 1 14 8 6 1 15 8 39 1 16 9 8 1 17 9 40 1 18 10 8 1 19 10 41 1 20 11 10 1 21 11 42 1 22 12 10 1 23 12 13 2 24 12 43 1 25 13 14 1 26 13 44 1 27 14 17 1 28 14 15 1 29 15 45 1 30 15 46 1 31 15 47 1 32 16 14 1 33 16 48 1 34 16 49 1 35 16 50 1 36 17 51 1 37 17 52 1 38 17 53 1 39 18 19 1 40 18 54 1 41 19 20 1 42 19 55 1 43 19 56 1 44 20 21 1 45 20 57 1 46 20 58 1 47 21 27 1 48 21 22 1 49 21 59 1 50 22 23 ar 51 22 26 ar 52 23 24 ar 53 23 60 1 54 24 25 ar 55 24 61 1 56 25 62 1 57 26 25 ar 58 27 28 ar 59 28 29 ar 60 28 63 1 61 29 64 1 62 30 29 ar 63 30 65 1 64 31 30 ar 65 31 66 1 66 32 31 ar 67 32 27 ar 68 32 67 1