@MOLECULE (4r,5s,6s,7r,9r,11e,13e,15s,16r)-16-ethyl-4-hydroxy-5,9,13,15-tetramethyl-2,10-dioxo-7-(2-oxoethyl)oxacyclohexadeca-11,13-dien-6-yl 3,4,6-trideoxy-3-(dimethylamino)-beta-d-xylo-hexopyranoside 91 92 0 0 0 SMALL GASTEIGER @ATOM 1 O 1.5715 -0.3173 -1.2812 O.3 1 UNL1111111111 -0.4251 2 O 2.2824 -0.2669 0.8512 O.3 1 UNL1111111111 -0.4603 3 O 1.7412 -3.1139 -1.3635 O.3 1 UNL1111111111 -0.5528 4 O -0.6252 -1.6183 -2.1869 O.3 1 UNL1111111111 -0.5960 5 O -3.4941 -1.3618 -0.4112 O.3 1 UNL1111111111 -0.4350 6 O 4.9211 3.3858 -0.2851 O.2 1 UNL1111111111 -0.4566 7 O 1.1383 2.8577 2.1519 O.2 1 UNL1111111111 -0.4746 8 O -4.6391 0.3734 -1.2931 O.2 1 UNL1111111111 -0.5453 9 N 3.9059 -4.1377 0.5203 N.3 1 UNL1111111111 -0.3971 10 C 0.8594 0.9143 -1.1378 C.3 1 UNL1111111111 0.0990 11 C 1.8583 2.0385 -1.5003 C.3 1 UNL1111111111 -0.1245 12 C -0.3528 0.8142 -2.0960 C.3 1 UNL1111111111 -0.1977 13 C 2.8709 -3.1040 0.7998 C.3 1 UNL1111111111 -0.0002 14 C 1.6358 -1.0811 -0.0984 C.3 1 UNL1111111111 0.2541 15 C 2.4847 -2.3160 -0.4768 C.3 1 UNL1111111111 0.0665 16 C 3.5050 -2.1074 1.7985 C.3 1 UNL1111111111 -0.3562 17 C 1.2238 3.4325 -1.3156 C.3 1 UNL1111111111 -0.2913 18 C 2.5654 -0.9336 2.0774 C.3 1 UNL1111111111 0.1586 19 C -1.2013 -0.4209 -1.7076 C.3 1 UNL1111111111 0.1898 20 C 3.1417 1.8701 -0.6839 C.3 1 UNL1111111111 -0.4136 21 C 1.3006 4.0262 0.0985 C.3 1 UNL1111111111 -0.1935 22 C 0.0795 0.7211 -3.5578 C.3 1 UNL1111111111 -0.4328 23 C -2.6050 -0.3911 -2.3408 C.3 1 UNL1111111111 -0.3964 24 C 3.2171 0.1546 2.9214 C.3 1 UNL1111111111 -0.4762 25 C 0.7047 5.4369 0.1181 C.3 1 UNL1111111111 -0.4415 26 C 3.9673 -5.1119 1.6362 C.3 1 UNL1111111111 -0.2832 27 C 3.6860 -4.8651 -0.7475 C.3 1 UNL1111111111 -0.2702 28 C 4.1926 2.8576 -1.0897 C.2 1 UNL1111111111 0.3536 29 C 0.5694 3.1956 1.1382 C.2 1 UNL1111111111 0.4721 30 C -3.6984 -0.3806 -1.3160 C.2 1 UNL1111111111 0.6288 31 C -4.4168 -1.5798 0.6563 C.3 1 UNL1111111111 0.1417 32 C -0.8414 2.8364 0.8976 C.2 1 UNL1111111111 -0.3280 33 C -4.5310 -0.3182 1.5380 C.3 1 UNL1111111111 -0.1608 34 C -5.7655 -2.0447 0.1055 C.3 1 UNL1111111111 -0.3160 35 C -1.4751 1.9953 1.7274 C.2 1 UNL1111111111 -0.0416 36 C -3.1687 0.2657 1.7429 C.2 1 UNL1111111111 -0.1683 37 C -2.8575 1.5548 1.5311 C.2 1 UNL1111111111 -0.0176 38 C -5.1310 -0.6741 2.9024 C.3 1 UNL1111111111 -0.4434 39 C -5.6236 -3.3805 -0.6192 C.3 1 UNL1111111111 -0.4316 40 C -3.8439 2.5781 1.0838 C.3 1 UNL1111111111 -0.4517 41 H 0.5102 1.0413 -0.0882 H 1 UNL1111111111 0.1441 42 H 2.1217 1.9200 -2.5830 H 1 UNL1111111111 0.1478 43 H -0.9797 1.7279 -1.9519 H 1 UNL1111111111 0.1491 44 H 1.9440 -3.5534 1.2356 H 1 UNL1111111111 0.1158 45 H 0.6148 -1.3339 0.2615 H 1 UNL1111111111 0.1140 46 H 3.3794 -2.0288 -1.0763 H 1 UNL1111111111 0.1806 47 H 3.7755 -2.6136 2.7408 H 1 UNL1111111111 0.1527 48 H 4.4663 -1.7418 1.3789 H 1 UNL1111111111 0.1801 49 H 0.1714 3.4126 -1.6589 H 1 UNL1111111111 0.1453 50 H 1.7334 4.1389 -2.0053 H 1 UNL1111111111 0.1451 51 H 1.6027 -1.2726 2.5209 H 1 UNL1111111111 0.1119 52 H -1.2668 -0.5239 -0.5982 H 1 UNL1111111111 0.1282 53 H 3.5462 0.8361 -0.8083 H 1 UNL1111111111 0.2041 54 H 2.9364 1.9242 0.4112 H 1 UNL1111111111 0.2036 55 H 2.3798 4.0939 0.4095 H 1 UNL1111111111 0.1829 56 H 0.9077 0.0092 -3.6877 H 1 UNL1111111111 0.1625 57 H 0.4091 1.6889 -3.9486 H 1 UNL1111111111 0.1383 58 H -0.7366 0.3669 -4.1995 H 1 UNL1111111111 0.1502 59 H -2.7146 -1.3008 -2.9841 H 1 UNL1111111111 0.2085 60 H -2.7334 0.4717 -3.0249 H 1 UNL1111111111 0.1816 61 H 2.5726 1.0502 2.9665 H 1 UNL1111111111 0.1853 62 H 3.4017 -0.1814 3.9445 H 1 UNL1111111111 0.1497 63 H 4.1697 0.4879 2.4894 H 1 UNL1111111111 0.1652 64 H 0.8232 -3.2688 -1.0520 H 1 UNL1111111111 0.3253 65 H -0.3434 5.4491 -0.1994 H 1 UNL1111111111 0.1454 66 H 1.2603 6.1095 -0.5461 H 1 UNL1111111111 0.1510 67 H 0.7513 5.8724 1.1252 H 1 UNL1111111111 0.1555 68 H 4.8056 -5.8050 1.4532 H 1 UNL1111111111 0.1470 69 H 3.0511 -5.7044 1.7724 H 1 UNL1111111111 0.1175 70 H 4.4383 -5.6638 -0.8442 H 1 UNL1111111111 0.1359 71 H 3.8444 -4.1753 -1.5959 H 1 UNL1111111111 0.1614 72 H 2.6845 -5.3072 -0.8537 H 1 UNL1111111111 0.1285 73 H 4.1909 -4.5879 2.5781 H 1 UNL1111111111 0.1409 74 H 4.2927 3.0851 -2.1592 H 1 UNL1111111111 0.0999 75 H 0.3576 -1.5454 -2.2232 H 1 UNL1111111111 0.3560 76 H -3.8847 -2.4033 1.1912 H 1 UNL1111111111 0.1441 77 H -1.3205 3.2798 0.0298 H 1 UNL1111111111 0.1671 78 H -5.2057 0.4130 1.0208 H 1 UNL1111111111 0.1753 79 H -6.5012 -2.1318 0.9272 H 1 UNL1111111111 0.1467 80 H -6.1789 -1.2769 -0.5821 H 1 UNL1111111111 0.1704 81 H -0.9573 1.5755 2.6010 H 1 UNL1111111111 0.1705 82 H -2.4181 -0.4507 2.0783 H 1 UNL1111111111 0.1519 83 H -4.5395 -1.4345 3.4240 H 1 UNL1111111111 0.1465 84 H -6.1547 -1.0522 2.8069 H 1 UNL1111111111 0.1468 85 H -5.1706 0.2105 3.5511 H 1 UNL1111111111 0.1544 86 H -4.8380 -3.3356 -1.3854 H 1 UNL1111111111 0.1552 87 H -6.5565 -3.6620 -1.1205 H 1 UNL1111111111 0.1440 88 H -5.3598 -4.1902 0.0696 H 1 UNL1111111111 0.1405 89 H -3.4252 3.5910 1.0419 H 1 UNL1111111111 0.1539 90 H -4.7126 2.6225 1.7566 H 1 UNL1111111111 0.1558 91 H -4.2349 2.3420 0.0773 H 1 UNL1111111111 0.1807 @BOND 1 1 10 1 2 1 14 1 3 2 14 1 4 2 18 1 5 3 15 1 6 3 64 1 7 4 19 1 8 4 75 1 9 5 30 1 10 5 31 1 11 6 28 2 12 7 29 2 13 8 30 2 14 9 13 1 15 9 26 1 16 9 27 1 17 10 11 1 18 10 12 1 19 10 41 1 20 11 17 1 21 11 20 1 22 11 42 1 23 12 19 1 24 12 22 1 25 12 43 1 26 13 15 1 27 13 16 1 28 13 44 1 29 14 15 1 30 14 45 1 31 15 46 1 32 16 18 1 33 16 47 1 34 16 48 1 35 17 21 1 36 17 49 1 37 17 50 1 38 18 24 1 39 18 51 1 40 19 23 1 41 19 52 1 42 20 28 1 43 20 53 1 44 20 54 1 45 21 25 1 46 21 29 1 47 21 55 1 48 22 56 1 49 22 57 1 50 22 58 1 51 23 30 1 52 23 59 1 53 23 60 1 54 24 61 1 55 24 62 1 56 24 63 1 57 25 65 1 58 25 66 1 59 25 67 1 60 26 68 1 61 26 69 1 62 26 73 1 63 27 70 1 64 27 71 1 65 27 72 1 66 28 74 1 67 29 32 1 68 31 33 1 69 31 34 1 70 31 76 1 71 32 35 2 72 32 77 1 73 33 36 1 74 33 38 1 75 33 78 1 76 34 39 1 77 34 79 1 78 34 80 1 79 35 37 1 80 35 81 1 81 36 37 2 82 36 82 1 83 37 40 1 84 38 83 1 85 38 84 1 86 38 85 1 87 39 86 1 88 39 87 1 89 39 88 1 90 40 89 1 91 40 90 1 92 40 91 1