@MOLECULE (2s,6s,8s,9r,12z,14e,16r,25r,27s)-16-ethyl-6,8,9-trihydroxy-12-(methoxymethyl)-25,27-dimethyl-2-propyl-1-oxa-4-azacyclooctacosa-12,14-diene-3,20,28-trione 105 105 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 C -4.1091 1.3931 1.5945 C.3 1 UNL1 0.0553 2 C -0.8374 1.6958 -0.1009 C.3 1 UNL1 -0.1493 3 C -4.2332 -2.7003 -0.7563 C.3 1 UNL1 0.1392 4 C -0.9305 4.0716 -1.0552 C.3 1 UNL1 -0.0828 5 C 4.9929 0.1307 1.6892 C.3 1 UNL1 -0.1142 6 C -1.9918 -3.8261 -0.5573 C.3 1 UNL1 0.1245 7 C -0.6051 -3.7617 0.1370 C.3 1 UNL1 0.1454 8 C -4.9887 2.4133 0.8792 C.3 1 UNL1 -0.3262 9 C -6.3890 2.4571 1.5024 C.3 1 UNL1 -0.2424 10 C 6.2374 -0.0420 2.5808 C.3 1 UNL1 -0.2622 11 C 3.4885 -4.0212 -0.9974 C.3 1 UNL1 -0.0692 12 C -0.0890 0.3682 -0.1988 C.3 1 UNL1 -0.4438 13 C -7.3084 3.3651 0.6877 C.3 1 UNL1 -0.4355 14 C -2.4170 4.3071 -1.3515 C.3 1 UNL1 -0.4605 15 C 7.1158 -1.1874 2.0788 C.3 1 UNL1 -0.4397 16 C 3.4852 -4.9248 -3.1813 C.3 1 UNL1 -0.2061 17 H -3.3356 -1.3138 -1.8724 H 1 UNL1 0.3340 18 H -3.2616 -5.3289 -0.8101 H 1 UNL1 0.3186 19 H 0.6984 -2.4976 -0.6819 H 1 UNL1 0.3367 20 H -4.6484 0.0407 -0.6280 H 1 UNL1 0.3396 21 O -4.7852 -0.7415 2.4391 O.2 1 UNL1 -0.5404 22 O -3.0253 1.0194 -0.9588 O.2 1 UNL1 -0.5732 23 O 5.7153 4.2263 -1.3969 O.2 1 UNL1 -0.4581 24 C -5.3361 -1.8759 -0.0423 C.3 1 UNL1 -0.1299 25 C -0.5557 2.5980 -1.3130 C.3 1 UNL1 -0.2909 26 C -2.9844 -2.8704 0.1059 C.3 1 UNL1 -0.3956 27 C 4.2286 1.4219 2.0528 C.3 1 UNL1 -0.2819 28 C 0.3176 -4.8562 -0.3953 C.3 1 UNL1 -0.3265 29 C -0.0852 5.0212 -1.9321 C.3 1 UNL1 -0.2899 30 C 1.6105 -4.9941 0.4203 C.3 1 UNL1 -0.2702 31 C 4.7946 2.6521 1.3335 C.3 1 UNL1 -0.2506 32 C 1.2007 5.4950 -1.2395 C.3 1 UNL1 -0.2689 33 C 4.5157 2.5894 -0.1735 C.3 1 UNL1 -0.3862 34 C 2.3323 4.4697 -1.3669 C.3 1 UNL1 -0.2536 35 C 3.5913 4.9579 -0.6440 C.3 1 UNL1 -0.3925 36 O -3.9205 -2.0949 -1.9887 O.3 1 UNL1 -0.5668 37 O -2.4097 -5.1686 -0.3645 O.3 1 UNL1 -0.5743 38 O -0.1199 -2.4610 -0.1469 O.3 1 UNL1 -0.6019 39 O 2.7650 -4.7612 -1.9756 O.3 1 UNL1 -0.3733 40 C -4.6045 -0.0570 1.4501 C.2 1 UNL1 0.5275 41 C -2.3133 1.3800 -0.0543 C.2 1 UNL1 0.6375 42 C 2.5606 -3.8624 0.1711 C.2 1 UNL1 -0.0100 43 C 4.7075 3.9515 -0.7967 C.2 1 UNL1 0.4794 44 O -2.7501 1.5342 1.2174 O.3 1 UNL1 -0.4390 45 C 4.0606 -1.0319 1.8575 C.2 1 UNL1 -0.1400 46 C 3.5176 -1.6714 0.8138 C.2 1 UNL1 -0.1909 47 C 2.6075 -2.7941 0.9823 C.2 1 UNL1 -0.2059 48 N -4.9122 -0.4988 0.1914 N.am 1 UNL1 -0.5653 49 H -4.0217 1.6210 2.6924 H 1 UNL1 0.1809 50 H 5.3344 0.1963 0.6261 H 1 UNL1 0.1468 51 H -4.5170 3.4149 0.9413 H 1 UNL1 0.1565 52 H -5.0600 2.1879 -0.2040 H 1 UNL1 0.1653 53 H -0.5303 2.2213 0.8411 H 1 UNL1 0.1712 54 H -6.2487 -1.8548 -0.6835 H 1 UNL1 0.1520 55 H -5.6192 -2.3658 0.9191 H 1 UNL1 0.1738 56 H -6.8192 1.4362 1.5548 H 1 UNL1 0.1488 57 H -6.3317 2.8122 2.5490 H 1 UNL1 0.1385 58 H 0.5189 2.5218 -1.5710 H 1 UNL1 0.1503 59 H -1.0919 2.2180 -2.2063 H 1 UNL1 0.1641 60 H -4.6566 -3.6812 -1.0776 H 1 UNL1 0.1330 61 H -0.7408 4.3142 0.0180 H 1 UNL1 0.1342 62 H -2.4946 -1.8891 0.2814 H 1 UNL1 0.1766 63 H -3.2548 -3.2400 1.1158 H 1 UNL1 0.1770 64 H -1.8991 -3.6316 -1.6484 H 1 UNL1 0.1363 65 H -0.3331 -0.1792 -1.1195 H 1 UNL1 0.1664 66 H 0.9963 0.5162 -0.1761 H 1 UNL1 0.1530 67 H -0.3335 -0.3041 0.6401 H 1 UNL1 0.1790 68 H -0.7039 -3.7910 1.2436 H 1 UNL1 0.1421 69 H 3.8520 -1.3186 2.8859 H 1 UNL1 0.1472 70 H -8.3067 3.4228 1.1363 H 1 UNL1 0.1428 71 H -6.9171 4.3862 0.6253 H 1 UNL1 0.1414 72 H -7.4327 2.9945 -0.3368 H 1 UNL1 0.1464 73 H 3.1549 1.3054 1.8036 H 1 UNL1 0.1487 74 H 4.2574 1.5799 3.1471 H 1 UNL1 0.1402 75 H -0.2257 -5.8274 -0.3842 H 1 UNL1 0.1761 76 H 0.5545 -4.6757 -1.4635 H 1 UNL1 0.1656 77 H 0.1485 4.5440 -2.9007 H 1 UNL1 0.1432 78 H -0.6896 5.9125 -2.1948 H 1 UNL1 0.1405 79 H 6.8198 0.8992 2.5950 H 1 UNL1 0.1383 80 H 5.9359 -0.2255 3.6287 H 1 UNL1 0.1352 81 H 1.3672 -5.0766 1.4995 H 1 UNL1 0.1474 82 H 2.0990 -5.9574 0.1544 H 1 UNL1 0.1561 83 H 3.7367 -1.3749 -0.2126 H 1 UNL1 0.1459 84 H 1.9319 -2.7231 1.8407 H 1 UNL1 0.1697 85 H -3.0595 3.6470 -0.7590 H 1 UNL1 0.1472 86 H -2.7126 5.3362 -1.1221 H 1 UNL1 0.1413 87 H -2.6517 4.1209 -2.4063 H 1 UNL1 0.1525 88 H 4.3498 3.5667 1.7719 H 1 UNL1 0.1366 89 H 5.8848 2.7349 1.5114 H 1 UNL1 0.1481 90 H 1.5227 6.4578 -1.6826 H 1 UNL1 0.1367 91 H 1.0011 5.7135 -0.1736 H 1 UNL1 0.1386 92 H 4.3933 -4.5904 -0.7047 H 1 UNL1 0.1317 93 H 3.8025 -3.0530 -1.4308 H 1 UNL1 0.1258 94 H 5.1994 1.8608 -0.6580 H 1 UNL1 0.1702 95 H 3.4925 2.2116 -0.3629 H 1 UNL1 0.1639 96 H 2.0017 3.4989 -0.9457 H 1 UNL1 0.1435 97 H 2.5568 4.2868 -2.4360 H 1 UNL1 0.1438 98 H 3.9135 5.9381 -1.0541 H 1 UNL1 0.1720 99 H 3.3818 5.1354 0.4282 H 1 UNL1 0.1622 100 H 7.5208 -0.9767 1.0828 H 1 UNL1 0.1435 101 H 7.9637 -1.3621 2.7498 H 1 UNL1 0.1411 102 H 6.5489 -2.1247 2.0118 H 1 UNL1 0.1492 103 H 2.8020 -5.5287 -3.7933 H 1 UNL1 0.1480 104 H 3.6719 -3.9598 -3.6624 H 1 UNL1 0.1214 105 H 4.4212 -5.4663 -3.0153 H 1 UNL1 0.1221 @BOND 1 103 16 1 2 104 16 1 3 16 105 1 4 16 39 1 5 77 29 1 6 97 34 1 7 87 14 1 8 59 25 1 9 78 29 1 10 36 17 1 11 36 3 1 12 39 11 1 13 29 32 1 14 29 4 1 15 90 32 1 16 64 6 1 17 58 25 1 18 76 28 1 19 93 11 1 20 23 43 2 21 34 32 1 22 34 96 1 23 34 35 1 24 14 86 1 25 14 4 1 26 14 85 1 27 25 4 1 28 25 2 1 29 32 91 1 30 65 12 1 31 60 3 1 32 4 61 1 33 98 35 1 34 11 92 1 35 11 42 1 36 22 41 2 37 18 37 1 38 43 35 1 39 43 33 1 40 3 24 1 41 3 26 1 42 54 24 1 43 19 38 1 44 94 33 1 45 35 99 1 46 20 48 1 47 6 37 1 48 6 26 1 49 6 7 1 50 28 75 1 51 28 7 1 52 28 30 1 53 95 33 1 54 72 13 1 55 83 46 1 56 52 8 1 57 12 66 1 58 12 2 1 59 12 67 1 60 33 31 1 61 38 7 1 62 2 41 1 63 2 53 1 64 41 44 1 65 24 48 1 66 24 55 1 67 26 62 1 68 26 63 1 69 7 68 1 70 82 30 1 71 42 30 1 72 42 47 2 73 48 40 am 74 30 81 1 75 71 13 1 76 50 5 1 77 13 70 1 78 13 9 1 79 46 47 1 80 46 45 2 81 8 51 1 82 8 9 1 83 8 1 1 84 47 84 1 85 100 15 1 86 44 1 1 87 31 89 1 88 31 88 1 89 31 27 1 90 40 1 1 91 40 21 2 92 9 56 1 93 9 57 1 94 1 49 1 95 5 45 1 96 5 27 1 97 5 10 1 98 73 27 1 99 45 69 1 100 102 15 1 101 27 74 1 102 15 10 1 103 15 101 1 104 10 79 1 105 10 80 1