@MOLECULE (2r,3r,4s,5r,6e)-n-{[(3s)-1-(cyclopropylcarbonyl)-3-piperidinyl]methyl}-3,4,5-trihydroxy-2-methoxy-8,8-dimethyl-6-nonenamide 68 69 0 0 0 SMALL GASTEIGER @ATOM 1 N -1.1592 -1.3829 0.4793 N.am 1 UNL1111111111 -0.5956 2 O 3.1848 1.6005 0.1711 O.3 1 UNL1111111111 -0.5785 3 N -5.7856 0.3766 0.8607 N.am 1 UNL1111111111 -0.4847 4 O 0.9373 0.1979 -0.2321 O.3 1 UNL1111111111 -0.6080 5 O 3.1404 -0.4535 -1.6925 O.3 1 UNL1111111111 -0.5370 6 O -0.8105 -3.5972 0.2294 O.2 1 UNL1111111111 -0.5443 7 O -6.3165 -0.4378 -1.1828 O.2 1 UNL1111111111 -0.5190 8 O 1.8816 -3.2070 -0.0377 O.3 1 UNL1111111111 -0.3701 9 C 7.4972 1.6943 0.0322 C.3 1 UNL1111111111 0.1068 10 C 6.0519 1.5138 0.4191 C.2 1 UNL1111111111 -0.1268 11 C 5.3015 0.4721 0.0517 C.2 1 UNL1111111111 -0.2560 12 C 3.8612 0.3771 0.4403 C.3 1 UNL1111111111 0.1057 13 C 3.1358 -0.7622 -0.3194 C.3 1 UNL1111111111 0.0485 14 C 1.6910 -0.9221 0.2001 C.3 1 UNL1111111111 0.0836 15 C 1.0129 -2.1613 -0.4267 C.3 1 UNL1111111111 -0.0081 16 C 7.5339 2.3214 -1.3728 C.3 1 UNL1111111111 -0.4581 17 C 8.1806 2.6395 1.0361 C.3 1 UNL1111111111 -0.4648 18 C 8.2484 0.3538 0.0250 C.3 1 UNL1111111111 -0.4583 19 C -0.3882 -2.4619 0.1298 C.2 1 UNL1111111111 0.5458 20 C -2.5055 -1.5871 1.0218 C.3 1 UNL1111111111 -0.0750 21 C -3.4095 -0.3807 0.7046 C.3 1 UNL1111111111 -0.1649 22 C -2.9780 0.8661 1.4933 C.3 1 UNL1111111111 -0.2726 23 C -3.9603 2.0176 1.2525 C.3 1 UNL1111111111 -0.3054 24 C -5.3921 1.5756 1.6135 C.3 1 UNL1111111111 -0.0736 25 C -4.8666 -0.7548 1.0678 C.3 1 UNL1111111111 -0.0867 26 C -6.3819 0.4867 -0.3981 C.2 1 UNL1111111111 0.5813 27 C -7.2008 1.7095 -0.6703 C.3 1 UNL1111111111 -0.2673 28 C -7.5538 2.0024 -2.1135 C.3 1 UNL1111111111 -0.2681 29 C -6.5514 2.8685 -1.3986 C.3 1 UNL1111111111 -0.3036 30 C 1.7954 -4.3655 -0.8520 C.3 1 UNL1111111111 -0.1960 31 H -0.8166 -0.4375 0.3834 H 1 UNL1111111111 0.3349 32 H 3.4603 1.9503 -0.7049 H 1 UNL1111111111 0.3354 33 H 1.4468 1.0251 -0.0144 H 1 UNL1111111111 0.3654 34 H 2.3304 0.0559 -1.9289 H 1 UNL1111111111 0.3288 35 H 5.6327 2.3260 1.0170 H 1 UNL1111111111 0.1524 36 H 5.6835 -0.3437 -0.5582 H 1 UNL1111111111 0.1677 37 H 3.7370 0.2709 1.5451 H 1 UNL1111111111 0.1526 38 H 3.7042 -1.7204 -0.2531 H 1 UNL1111111111 0.1754 39 H 1.6541 -0.9691 1.3107 H 1 UNL1111111111 0.1436 40 H 0.9535 -2.0636 -1.5351 H 1 UNL1111111111 0.1631 41 H 7.0462 1.6729 -2.1096 H 1 UNL1111111111 0.1510 42 H 7.0209 3.2885 -1.3926 H 1 UNL1111111111 0.1459 43 H 8.5641 2.4846 -1.7061 H 1 UNL1111111111 0.1495 44 H 9.2358 2.7898 0.7830 H 1 UNL1111111111 0.1489 45 H 7.7053 3.6258 1.0512 H 1 UNL1111111111 0.1457 46 H 8.1414 2.2340 2.0528 H 1 UNL1111111111 0.1469 47 H 9.3156 0.4985 -0.1742 H 1 UNL1111111111 0.1467 48 H 8.1571 -0.1556 0.9906 H 1 UNL1111111111 0.1481 49 H 7.8639 -0.3224 -0.7462 H 1 UNL1111111111 0.1486 50 H -2.9382 -2.5228 0.5855 H 1 UNL1111111111 0.1705 51 H -2.4396 -1.7553 2.1209 H 1 UNL1111111111 0.1361 52 H -3.3611 -0.1616 -0.3902 H 1 UNL1111111111 0.1628 53 H -2.9212 0.6347 2.5736 H 1 UNL1111111111 0.1414 54 H -1.9587 1.1777 1.1976 H 1 UNL1111111111 0.1396 55 H -3.6755 2.9002 1.8520 H 1 UNL1111111111 0.1423 56 H -3.9184 2.3394 0.1949 H 1 UNL1111111111 0.1461 57 H -6.1115 2.4015 1.4342 H 1 UNL1111111111 0.1402 58 H -5.4569 1.3325 2.6997 H 1 UNL1111111111 0.1461 59 H -4.9394 -1.0640 2.1339 H 1 UNL1111111111 0.1427 60 H -5.2081 -1.6217 0.4520 H 1 UNL1111111111 0.1739 61 H -7.9464 1.9079 0.1078 H 1 UNL1111111111 0.1786 62 H -7.2175 1.3070 -2.8858 H 1 UNL1111111111 0.1796 63 H -8.5391 2.3883 -2.3579 H 1 UNL1111111111 0.1572 64 H -6.8109 3.8862 -1.1201 H 1 UNL1111111111 0.1580 65 H -5.5003 2.8111 -1.6731 H 1 UNL1111111111 0.1611 66 H 2.5086 -5.0451 -0.3695 H 1 UNL1111111111 0.1429 67 H 0.7860 -4.7965 -0.8194 H 1 UNL1111111111 0.1594 68 H 2.1006 -4.1412 -1.8775 H 1 UNL1111111111 0.1219 @BOND 1 1 20 1 2 1 31 1 3 2 12 1 4 2 32 1 5 3 24 1 6 4 14 1 7 4 33 1 8 5 13 1 9 5 34 1 10 7 26 2 11 8 15 1 12 9 18 1 13 9 16 1 14 10 9 1 15 10 35 1 16 11 10 2 17 11 36 1 18 12 11 1 19 12 37 1 20 13 12 1 21 13 14 1 22 13 38 1 23 14 15 1 24 14 39 1 25 15 19 1 26 15 40 1 27 16 41 1 28 16 42 1 29 16 43 1 30 17 9 1 31 17 44 1 32 17 45 1 33 17 46 1 34 18 47 1 35 18 48 1 36 18 49 1 37 19 1 am 38 19 6 2 39 20 21 1 40 20 50 1 41 20 51 1 42 21 22 1 43 21 25 1 44 21 52 1 45 22 23 1 46 22 53 1 47 22 54 1 48 23 24 1 49 23 55 1 50 23 56 1 51 24 57 1 52 24 58 1 53 25 3 1 54 25 59 1 55 25 60 1 56 26 3 am 57 26 27 1 58 27 61 1 59 28 27 1 60 28 29 1 61 28 62 1 62 28 63 1 63 29 27 1 64 29 64 1 65 29 65 1 66 30 8 1 67 30 66 1 68 30 67 1 69 30 68 1