@MOLECULE (3r,5r,6r,7r,9r,11r,12r,13s,14r)-6-{[(2s,3r,4s,6r)-4-(dimethylamino)-3-hydroxy-6-methyltetrahydro-2h-pyran-2-yl]oxy}-14-ethyl-12,13-dihydroxy-7-methoxy-3,5,7,9,11,13-hexamethyloxacyclotetradecane-2,4,10-trione 94 95 0 0 0 SMALL GASTEIGER @ATOM 1 O 2.4270 0.3023 -1.0519 O.3 1 UNL11 -0.4353 2 O 2.8269 -0.1721 1.1377 O.3 1 UNL11 -0.4389 3 O 1.5391 2.3559 0.5485 O.3 1 UNL11 -0.3698 4 O 4.9241 -0.8533 -1.7515 O.3 1 UNL11 -0.5689 5 O -3.4534 -1.5303 -0.1194 O.3 1 UNL11 -0.4859 6 O -3.8344 0.8064 1.7560 O.3 1 UNL11 -0.5752 7 O -5.4901 -0.1584 -1.2930 O.3 1 UNL11 -0.5580 8 O -3.4722 3.1424 0.4925 O.2 1 UNL11 -0.5107 9 O 0.7986 -2.4078 -1.0139 O.2 1 UNL11 -0.4069 10 O -1.5875 -1.8464 1.1082 O.2 1 UNL11 -0.4538 11 N 6.9605 -0.2520 0.3796 N.3 1 UNL11 -0.3993 12 C 0.9049 2.0724 -0.6869 C.3 1 UNL11 0.2618 13 C 1.0689 0.5128 -0.7146 C.3 1 UNL11 0.1032 14 C -0.5640 2.5445 -0.6540 C.3 1 UNL11 -0.3473 15 C 0.2069 -0.2151 -1.7747 C.3 1 UNL11 -0.2408 16 C -1.4414 1.8685 0.4101 C.3 1 UNL11 -0.1646 17 C 3.1502 -0.5433 -0.1822 C.3 1 UNL11 0.2603 18 C 5.5906 -0.8270 0.5229 C.3 1 UNL11 0.0275 19 C 4.6259 -0.2152 -0.5198 C.3 1 UNL11 0.0664 20 C 5.0769 -0.4446 1.9295 C.3 1 UNL11 -0.3582 21 C -3.5644 1.2597 -0.9528 C.3 1 UNL11 -0.2496 22 C -4.8152 0.1047 1.0146 C.3 1 UNL11 0.2193 23 C -4.9124 0.7591 -0.3981 C.3 1 UNL11 0.1210 24 C 1.6244 2.7369 -1.8620 C.3 1 UNL11 -0.4980 25 C 3.6124 -0.8546 2.1071 C.3 1 UNL11 0.1529 26 C -2.8869 2.1824 0.0528 C.2 1 UNL11 0.5087 27 C -0.0685 -1.6358 -1.3142 C.2 1 UNL11 0.4694 28 C -4.2711 -1.3511 1.0459 C.3 1 UNL11 0.1157 29 C 0.9114 -0.3368 -3.1270 C.3 1 UNL11 -0.4193 30 C -1.1436 2.3666 1.8221 C.3 1 UNL11 -0.4321 31 C -1.5360 -2.0756 -1.3182 C.3 1 UNL11 -0.2871 32 C -3.8066 2.0422 -2.2446 C.3 1 UNL11 -0.4359 33 C -6.1641 0.2306 1.7215 C.3 1 UNL11 -0.5078 34 C 3.0309 -0.3700 3.4330 C.3 1 UNL11 -0.4639 35 C -5.3425 -2.4404 0.9349 C.3 1 UNL11 -0.2939 36 C -2.1337 -1.8110 0.0423 C.2 1 UNL11 0.6072 37 C 1.8703 3.7020 0.8131 C.3 1 UNL11 -0.1993 38 C 7.9262 -1.0126 1.2086 C.3 1 UNL11 -0.2831 39 C 7.4248 -0.2477 -1.0257 C.3 1 UNL11 -0.2708 40 C -1.6307 -3.5750 -1.5914 C.3 1 UNL11 -0.4243 41 C -4.7110 -3.8279 1.0266 C.3 1 UNL11 -0.4349 42 H 0.8374 0.1232 0.3096 H 1 UNL11 0.1739 43 H -0.5758 3.6408 -0.4784 H 1 UNL11 0.1614 44 H -1.0064 2.4099 -1.6599 H 1 UNL11 0.1419 45 H -0.7464 0.3483 -1.9088 H 1 UNL11 0.1583 46 H -1.2918 0.7608 0.3998 H 1 UNL11 0.1559 47 H 2.8595 -1.5996 -0.3663 H 1 UNL11 0.1440 48 H 5.5923 -1.9390 0.3927 H 1 UNL11 0.1314 49 H 4.7773 0.8802 -0.6322 H 1 UNL11 0.1552 50 H 5.7005 -0.9041 2.7139 H 1 UNL11 0.1485 51 H 5.1811 0.6529 2.0630 H 1 UNL11 0.1766 52 H -2.9166 0.3822 -1.1734 H 1 UNL11 0.1555 53 H -5.6557 1.5926 -0.3885 H 1 UNL11 0.1551 54 H 1.5241 3.8259 -1.8442 H 1 UNL11 0.1453 55 H 2.6989 2.5004 -1.8296 H 1 UNL11 0.1753 56 H 1.2409 2.3857 -2.8245 H 1 UNL11 0.1485 57 H 3.4720 -1.9510 1.9762 H 1 UNL11 0.1183 58 H -3.6497 -1.4786 1.9695 H 1 UNL11 0.1777 59 H 0.2519 -0.7533 -3.8947 H 1 UNL11 0.1375 60 H 1.7991 -0.9832 -3.0541 H 1 UNL11 0.1648 61 H 1.2700 0.6378 -3.4808 H 1 UNL11 0.1564 62 H -1.7579 1.8380 2.5624 H 1 UNL11 0.1527 63 H -1.3431 3.4387 1.9258 H 1 UNL11 0.1494 64 H -0.0918 2.1881 2.0877 H 1 UNL11 0.1700 65 H -2.0988 -1.5211 -2.1105 H 1 UNL11 0.1802 66 H -4.4688 1.4823 -2.9203 H 1 UNL11 0.1619 67 H -4.2959 3.0057 -2.0447 H 1 UNL11 0.1592 68 H -2.8765 2.2476 -2.7831 H 1 UNL11 0.1409 69 H -6.4394 1.2827 1.8747 H 1 UNL11 0.1611 70 H -6.1509 -0.2435 2.7101 H 1 UNL11 0.1621 71 H -6.9695 -0.2220 1.1273 H 1 UNL11 0.1719 72 H 3.0790 0.7246 3.5056 H 1 UNL11 0.1621 73 H 1.9683 -0.6409 3.5093 H 1 UNL11 0.1643 74 H 3.5606 -0.7994 4.2865 H 1 UNL11 0.1453 75 H -6.0934 -2.3225 1.7402 H 1 UNL11 0.1515 76 H -5.8984 -2.3329 -0.0185 H 1 UNL11 0.1577 77 H 4.2323 -0.6401 -2.4106 H 1 UNL11 0.3240 78 H 1.0020 4.3618 0.7401 H 1 UNL11 0.1189 79 H 2.6817 4.0395 0.1615 H 1 UNL11 0.1221 80 H 2.2246 3.6518 1.8520 H 1 UNL11 0.1436 81 H 8.9261 -0.5625 1.0969 H 1 UNL11 0.1422 82 H 7.6543 -0.9159 2.2714 H 1 UNL11 0.1409 83 H 7.9968 -2.0808 0.9575 H 1 UNL11 0.1188 84 H 7.3026 -1.2111 -1.5450 H 1 UNL11 0.1344 85 H 6.8554 0.5132 -1.5873 H 1 UNL11 0.1557 86 H 8.4831 0.0488 -1.0675 H 1 UNL11 0.1301 87 H -4.1757 1.6615 2.1038 H 1 UNL11 0.3420 88 H -4.8961 -0.9287 -1.4227 H 1 UNL11 0.3303 89 H -1.0742 -4.1557 -0.8380 H 1 UNL11 0.1751 90 H -1.1936 -3.8307 -2.5654 H 1 UNL11 0.1587 91 H -2.6689 -3.9267 -1.5931 H 1 UNL11 0.1501 92 H -4.1844 -3.9711 1.9785 H 1 UNL11 0.1506 93 H -3.9835 -3.9927 0.2229 H 1 UNL11 0.1469 94 H -5.4689 -4.6155 0.9488 H 1 UNL11 0.1443 @BOND 1 1 13 1 2 1 17 1 3 2 17 1 4 2 25 1 5 3 12 1 6 3 37 1 7 4 19 1 8 4 77 1 9 5 28 1 10 5 36 1 11 6 22 1 12 6 87 1 13 7 23 1 14 7 88 1 15 8 26 2 16 9 27 2 17 10 36 2 18 11 18 1 19 11 38 1 20 11 39 1 21 12 13 1 22 12 14 1 23 12 24 1 24 13 15 1 25 13 42 1 26 14 16 1 27 14 43 1 28 14 44 1 29 15 27 1 30 15 29 1 31 15 45 1 32 16 26 1 33 16 30 1 34 16 46 1 35 17 19 1 36 17 47 1 37 18 19 1 38 18 20 1 39 18 48 1 40 19 49 1 41 20 25 1 42 20 50 1 43 20 51 1 44 21 23 1 45 21 26 1 46 21 32 1 47 21 52 1 48 22 23 1 49 22 33 1 50 23 53 1 51 24 54 1 52 24 55 1 53 24 56 1 54 25 34 1 55 25 57 1 56 27 31 1 57 28 22 1 58 28 35 1 59 28 58 1 60 29 59 1 61 29 60 1 62 29 61 1 63 30 62 1 64 30 63 1 65 30 64 1 66 31 36 1 67 31 40 1 68 31 65 1 69 32 66 1 70 32 67 1 71 32 68 1 72 33 69 1 73 33 70 1 74 33 71 1 75 34 72 1 76 34 73 1 77 34 74 1 78 35 41 1 79 35 75 1 80 35 76 1 81 37 78 1 82 37 79 1 83 37 80 1 84 38 81 1 85 38 82 1 86 38 83 1 87 39 84 1 88 39 85 1 89 39 86 1 90 40 89 1 91 40 90 1 92 40 91 1 93 41 92 1 94 41 93 1 95 41 94 1