@MOLECULE (2r,3r,6r,7r,8s,9r,10r)-3-[(2r,3r)-2,3-dihydroxy-2-pentanyl]-9-{[(2s,3r,4s,6r)-4-(dimethylamino)-3-hydroxy-6-methyltetrahydro-2h-pyran-2-yl]oxy}-7-{[(2r,4r,5s,6s)-5-hydroxy-4-methoxy-4,6-dimethyltetrahydro-2h-pyran-2-yl]oxy}-2,6,8,10,12-pentamethyl-4,13-dioxabicyclo[8.2.1]tridec-1(12)-en-5-one 115 118 0 0 0 SMALL GASTEIGER @ATOM 1 O 0.1188 2.0678 -1.7118 O.2 1 UNL11 -0.3614 2 O -2.7377 1.3541 0.2373 O.3 1 UNL11 -0.4506 3 O 0.6529 -0.5347 0.4069 O.3 1 UNL11 -0.3959 4 O 2.4220 1.2980 0.4889 O.3 1 UNL11 -0.3703 5 O -3.1102 -0.9543 0.0808 O.3 1 UNL11 -0.4989 6 O 0.2193 -2.5885 1.2907 O.3 1 UNL11 -0.4507 7 O 5.0483 1.9892 -1.6634 O.3 1 UNL11 -0.5693 8 O -5.1683 -0.0997 2.2618 O.3 1 UNL11 -0.5583 9 O 1.7712 -4.5339 -0.3761 O.3 1 UNL11 -0.4173 10 O -0.6019 -5.7506 -0.2359 O.3 1 UNL11 -0.5472 11 O 4.5487 -0.0845 1.2874 O.3 1 UNL11 -0.5496 12 O 3.2024 2.0300 2.4653 O.2 1 UNL11 -0.5861 13 N -6.6639 1.3160 -0.2238 N.3 1 UNL11 -0.4034 14 C -1.1256 2.4655 -1.0715 C.3 1 UNL11 0.2465 15 C -1.3492 1.3064 -0.0488 C.3 1 UNL11 0.0816 16 C -0.4669 1.4376 1.2091 C.3 1 UNL11 -0.2037 17 C 0.2117 0.0992 1.5975 C.3 1 UNL11 0.1205 18 C -0.8514 3.8737 -0.4864 C.3 1 UNL11 -0.3072 19 C 1.1147 2.9215 -1.2931 C.2 1 UNL11 0.1843 20 C 2.4840 2.4048 -1.5739 C.3 1 UNL11 -0.1023 21 C 0.6425 4.0074 -0.6465 C.2 1 UNL11 -0.1820 22 C 1.4849 0.3268 2.4487 C.3 1 UNL11 -0.1856 23 C 3.2141 2.2545 -0.2130 C.3 1 UNL11 0.0743 24 C -2.1772 2.4856 -2.1653 C.3 1 UNL11 -0.4810 25 C -1.2190 2.0036 2.4133 C.3 1 UNL11 -0.4441 26 C -3.2749 0.2062 0.8387 C.3 1 UNL11 0.2967 27 C 4.6765 1.7372 -0.3194 C.3 1 UNL11 0.2284 28 C -4.7559 0.5680 1.0907 C.3 1 UNL11 0.0695 29 C 0.0577 -1.7778 0.1359 C.3 1 UNL11 0.3079 30 C -5.6910 0.1966 -0.0922 C.3 1 UNL11 0.0035 31 C 0.7218 -3.8832 -1.0769 C.3 1 UNL11 0.2516 32 C 0.8809 -2.3585 -1.0193 C.3 1 UNL11 -0.3984 33 C 2.4765 1.2915 1.8393 C.2 1 UNL11 0.6368 34 C 2.4028 1.0772 -2.3335 C.3 1 UNL11 -0.4287 35 C -4.8386 0.0134 -1.3582 C.3 1 UNL11 -0.3691 36 C 1.3772 5.1628 -0.1058 C.3 1 UNL11 -0.4140 37 C -0.5201 -4.3471 -0.2565 C.3 1 UNL11 0.0545 38 C -3.8325 -1.1138 -1.1288 C.3 1 UNL11 0.1731 39 C 4.7453 0.2014 -0.0762 C.3 1 UNL11 0.1123 40 C 2.2090 -0.9981 2.6792 C.3 1 UNL11 -0.4238 41 C -0.4533 -3.8281 1.2003 C.3 1 UNL11 0.1131 42 C 5.5981 2.5230 0.6113 C.3 1 UNL11 -0.5285 43 C 0.6111 -4.3842 -2.5156 C.3 1 UNL11 -0.5035 44 C 6.0648 -0.4131 -0.5619 C.3 1 UNL11 -0.3115 45 C -2.8124 -1.2201 -2.2601 C.3 1 UNL11 -0.4842 46 C -1.8501 -3.6838 1.7974 C.3 1 UNL11 -0.4977 47 C -7.3415 1.3555 -1.5360 C.3 1 UNL11 -0.2789 48 C -7.6759 1.2409 0.8557 C.3 1 UNL11 -0.2871 49 C 6.0397 -1.9263 -0.3521 C.3 1 UNL11 -0.4240 50 C 3.0517 -4.5044 -0.9688 C.3 1 UNL11 -0.1838 51 H -1.1346 0.3518 -0.5883 H 1 UNL11 0.1592 52 H 0.3548 2.1566 0.9451 H 1 UNL11 0.1812 53 H -0.4934 -0.5542 2.1592 H 1 UNL11 0.1407 54 H -1.3920 4.6623 -1.0352 H 1 UNL11 0.1508 55 H -1.1704 3.9609 0.5650 H 1 UNL11 0.1624 56 H 3.0562 3.1468 -2.1909 H 1 UNL11 0.1707 57 H 1.1714 0.7604 3.4350 H 1 UNL11 0.1676 58 H 3.1884 3.2219 0.3415 H 1 UNL11 0.1505 59 H -2.2600 1.5128 -2.6652 H 1 UNL11 0.1540 60 H -3.1621 2.7414 -1.7487 H 1 UNL11 0.1704 61 H -1.9287 3.2222 -2.9395 H 1 UNL11 0.1561 62 H -1.9765 2.7359 2.0990 H 1 UNL11 0.1632 63 H -0.5369 2.5135 3.1035 H 1 UNL11 0.1445 64 H -1.7475 1.2335 2.9854 H 1 UNL11 0.1446 65 H -2.7234 -0.0679 1.7698 H 1 UNL11 0.1491 66 H -4.8531 1.6491 1.3619 H 1 UNL11 0.1876 67 H -1.0249 -1.6486 -0.0796 H 1 UNL11 0.1300 68 H -6.2092 -0.7697 0.1408 H 1 UNL11 0.1219 69 H 0.5975 -1.8731 -1.9685 H 1 UNL11 0.1609 70 H 1.9493 -2.0932 -0.8542 H 1 UNL11 0.1891 71 H 3.3977 0.7207 -2.6219 H 1 UNL11 0.1530 72 H 1.8066 1.1834 -3.2475 H 1 UNL11 0.1474 73 H 1.9162 0.3061 -1.7151 H 1 UNL11 0.1709 74 H -4.3154 0.9666 -1.5905 H 1 UNL11 0.1868 75 H -5.4621 -0.2184 -2.2380 H 1 UNL11 0.1483 76 H 1.5212 5.0740 0.9837 H 1 UNL11 0.1556 77 H 0.8357 6.1045 -0.2810 H 1 UNL11 0.1501 78 H 2.3718 5.2768 -0.5604 H 1 UNL11 0.1469 79 H -1.4620 -4.0489 -0.7665 H 1 UNL11 0.1503 80 H -4.3521 -2.0900 -0.9708 H 1 UNL11 0.1217 81 H 3.8680 -0.3069 -0.5474 H 1 UNL11 0.1693 82 H 2.5306 -1.4434 1.7215 H 1 UNL11 0.1835 83 H 3.1066 -0.8731 3.2939 H 1 UNL11 0.1465 84 H 1.5550 -1.7365 3.1579 H 1 UNL11 0.1571 85 H 0.1961 -4.4907 1.8188 H 1 UNL11 0.1488 86 H 6.6075 2.1064 0.6542 H 1 UNL11 0.1449 87 H 5.6825 3.5682 0.2869 H 1 UNL11 0.1642 88 H 5.2016 2.5499 1.6416 H 1 UNL11 0.1962 89 H 1.4635 -4.0733 -3.1275 H 1 UNL11 0.1529 90 H -0.2989 -4.0158 -3.0015 H 1 UNL11 0.1542 91 H 0.5616 -5.4820 -2.5388 H 1 UNL11 0.1653 92 H 6.2144 -0.1834 -1.6342 H 1 UNL11 0.1448 93 H 6.9211 0.0272 -0.0213 H 1 UNL11 0.1330 94 H 6.0179 2.0286 -1.7618 H 1 UNL11 0.3177 95 H -3.3019 -1.3427 -3.2305 H 1 UNL11 0.1488 96 H -2.1435 -2.0760 -2.1090 H 1 UNL11 0.1545 97 H -2.1784 -0.3233 -2.3137 H 1 UNL11 0.1690 98 H -1.7948 -3.3780 2.8483 H 1 UNL11 0.1552 99 H -2.3954 -4.6335 1.7464 H 1 UNL11 0.1589 100 H -2.4412 -2.9236 1.2699 H 1 UNL11 0.1645 101 H -5.0674 -1.0687 2.1701 H 1 UNL11 0.3173 102 H 0.2740 -6.1361 -0.0065 H 1 UNL11 0.3311 103 H -6.6179 1.6848 -2.3007 H 1 UNL11 0.1467 104 H -7.7913 0.4029 -1.8494 H 1 UNL11 0.1169 105 H -8.1363 2.1204 -1.5116 H 1 UNL11 0.1461 106 H -8.3764 0.3989 0.7636 H 1 UNL11 0.1170 107 H -7.1728 1.1624 1.8367 H 1 UNL11 0.1661 108 H -8.2506 2.1814 0.8631 H 1 UNL11 0.1449 109 H 5.1690 0.4084 1.8620 H 1 UNL11 0.3189 110 H 5.7847 -2.1718 0.6896 H 1 UNL11 0.1619 111 H 7.0104 -2.3794 -0.5752 H 1 UNL11 0.1347 112 H 5.2909 -2.4073 -0.9905 H 1 UNL11 0.1374 113 H 3.7040 -4.8268 -0.1456 H 1 UNL11 0.1448 114 H 3.3336 -3.4984 -1.2957 H 1 UNL11 0.1269 115 H 3.1006 -5.2152 -1.7989 H 1 UNL11 0.1184 @BOND 1 1 14 1 2 1 19 1 3 2 15 1 4 2 26 1 5 3 17 1 6 3 29 1 7 4 23 1 8 4 33 1 9 5 26 1 10 5 38 1 11 6 29 1 12 6 41 1 13 7 94 1 14 8 28 1 15 8 101 1 16 9 31 1 17 9 50 1 18 10 37 1 19 10 102 1 20 11 39 1 21 11 109 1 22 12 33 2 23 13 30 1 24 13 47 1 25 13 48 1 26 14 15 1 27 14 18 1 28 14 24 1 29 15 16 1 30 15 51 1 31 16 17 1 32 16 25 1 33 16 52 1 34 17 22 1 35 17 53 1 36 18 21 1 37 18 54 1 38 18 55 1 39 19 20 1 40 19 21 2 41 20 23 1 42 20 34 1 43 20 56 1 44 21 36 1 45 22 33 1 46 22 40 1 47 22 57 1 48 23 27 1 49 23 58 1 50 24 59 1 51 24 60 1 52 24 61 1 53 25 62 1 54 25 63 1 55 25 64 1 56 26 28 1 57 26 65 1 58 27 7 1 59 27 39 1 60 27 42 1 61 28 30 1 62 28 66 1 63 29 32 1 64 29 67 1 65 30 35 1 66 30 68 1 67 31 32 1 68 31 37 1 69 31 43 1 70 32 69 1 71 32 70 1 72 34 71 1 73 34 72 1 74 34 73 1 75 35 38 1 76 35 74 1 77 35 75 1 78 36 76 1 79 36 77 1 80 36 78 1 81 37 41 1 82 37 79 1 83 38 45 1 84 38 80 1 85 39 44 1 86 39 81 1 87 40 82 1 88 40 83 1 89 40 84 1 90 41 46 1 91 41 85 1 92 42 86 1 93 42 87 1 94 42 88 1 95 43 89 1 96 43 90 1 97 43 91 1 98 44 49 1 99 44 92 1 100 44 93 1 101 45 95 1 102 45 96 1 103 45 97 1 104 46 98 1 105 46 99 1 106 46 100 1 107 47 103 1 108 47 104 1 109 47 105 1 110 48 106 1 111 48 107 1 112 48 108 1 113 49 110 1 114 49 111 1 115 49 112 1 116 50 113 1 117 50 114 1 118 50 115 1