@MOLECULE n-{(2e,4e)-5-[(2s,3s,4e,6e,8s,11z,13e,16s,17z,19z,21r,22z)-8,16-dimethoxy-3,12,18,21,23-pentamethyl-24-oxooxacyclotetracosa-4,6,11,13,17,19,22-heptaen-2-yl]-2-methyl-2,4-hexadien-1-yl}-n~2~-formyl-l-serinamide 110 110 0 0 0 SMALL GASTEIGER @ATOM 1 O 0.4979 -1.4233 1.2041 O.3 1 UNL1111111111 -0.4425 2 O 7.5925 -1.7318 -0.5226 O.3 1 UNL1111111111 -0.3735 3 O 1.6216 0.1066 -0.0033 O.2 1 UNL1111111111 -0.4796 4 O 1.9659 4.1709 -2.1990 O.3 1 UNL1111111111 -0.3909 5 O -6.4134 -2.0784 0.3260 O.2 1 UNL1111111111 -0.5292 6 O -5.4963 1.2235 0.5102 O.3 1 UNL1111111111 -0.5243 7 O -9.8921 0.9736 0.8376 O.2 1 UNL1111111111 -0.5459 8 N -6.3668 -1.3623 -1.8185 N.am 1 UNL1111111111 -0.5872 9 N -7.9781 -0.1425 1.2538 N.am 1 UNL1111111111 -0.5750 10 C 1.2494 -3.4665 0.2141 C.3 1 UNL1111111111 -0.1264 11 C 0.3243 -2.2386 0.0377 C.3 1 UNL1111111111 0.0956 12 C -1.1480 -2.5774 0.0446 C.2 1 UNL1111111111 0.0284 13 C 1.0035 -4.4633 -0.9194 C.3 1 UNL1111111111 -0.4504 14 C 2.6598 -2.9673 0.2875 C.2 1 UNL1111111111 -0.1516 15 C -1.6474 -3.2692 1.2609 C.3 1 UNL1111111111 -0.4517 16 C -1.9017 -2.2140 -1.0072 C.2 1 UNL1111111111 -0.2192 17 C 7.0681 -2.2102 0.7124 C.3 1 UNL1111111111 0.1033 18 C 7.1835 -1.0087 1.6734 C.3 1 UNL1111111111 -0.2911 19 C 3.5735 -3.0713 -0.6869 C.2 1 UNL1111111111 -0.1658 20 C 1.1540 -0.2373 1.0488 C.2 1 UNL1111111111 0.6087 21 C 6.2221 0.1324 1.3158 C.3 1 UNL1111111111 -0.2599 22 C 5.6489 -2.6732 0.5766 C.2 1 UNL1111111111 -0.2197 23 C 4.9352 -2.5632 -0.5495 C.2 1 UNL1111111111 -0.1327 24 C -3.3234 -2.4693 -1.1290 C.2 1 UNL1111111111 -0.1577 25 C 1.2197 0.4431 2.3587 C.2 1 UNL1111111111 -0.0892 26 C -0.8993 1.8652 2.1284 C.3 1 UNL1111111111 -0.1037 27 C -4.0659 -2.1186 -2.1922 C.2 1 UNL1111111111 -0.0347 28 C 0.3378 1.3443 2.7992 C.2 1 UNL1111111111 -0.1139 29 C 6.6797 0.8912 0.1154 C.2 1 UNL1111111111 -0.1796 30 C 1.5191 3.5879 -0.9736 C.3 1 UNL1111111111 0.1169 31 C -5.5272 -2.4938 -2.2345 C.3 1 UNL1111111111 -0.0825 32 C 2.6814 3.8236 0.0113 C.3 1 UNL1111111111 -0.3050 33 C 6.0095 1.9203 -0.4292 C.2 1 UNL1111111111 -0.0024 34 C -1.0843 1.4450 0.7008 C.2 1 UNL1111111111 -0.1539 35 C 2.4133 -0.0015 3.1349 C.3 1 UNL1111111111 -0.4334 36 C -2.1334 1.3874 2.9164 C.3 1 UNL1111111111 -0.4432 37 C 0.2899 4.3239 -0.5319 C.2 1 UNL1111111111 -0.2616 38 C -0.8751 3.7346 -0.2473 C.2 1 UNL1111111111 0.0290 39 C -3.5517 -1.3842 -3.3799 C.3 1 UNL1111111111 -0.4475 40 C -1.0872 2.2849 -0.3379 C.2 1 UNL1111111111 -0.1732 41 C 3.9449 3.2645 -0.5515 C.2 1 UNL1111111111 -0.1087 42 C 4.7521 2.4283 0.1109 C.2 1 UNL1111111111 -0.1937 43 C 6.5705 2.6000 -1.6413 C.3 1 UNL1111111111 -0.4443 44 CA -7.5273 0.0149 -0.1238 C.3 1 UNL1111111111 -0.0584 45 C 8.1021 -2.7523 -1.3558 C.3 1 UNL1111111111 -0.2101 46 C -6.7144 -1.2341 -0.4941 C.2 1 UNL1111111111 0.5450 47 C -2.0817 4.5170 0.1589 C.3 1 UNL1111111111 -0.4516 48 C -6.6662 1.2919 -0.2632 C.3 1 UNL1111111111 -0.0251 49 C 1.1778 3.7836 -3.3073 C.3 1 UNL1111111111 -0.2001 50 C -9.1890 0.3901 1.6405 C.2 1 UNL1111111111 0.4760 51 H 1.0062 -3.9665 1.1877 H 1 UNL1111111111 0.1524 52 H 0.6190 -1.6696 -0.8787 H 1 UNL1111111111 0.1649 53 H 1.1526 -4.0060 -1.9075 H 1 UNL1111111111 0.1505 54 H 1.6857 -5.3197 -0.8448 H 1 UNL1111111111 0.1501 55 H -0.0210 -4.8543 -0.8922 H 1 UNL1111111111 0.1485 56 H 2.8951 -2.4654 1.2279 H 1 UNL1111111111 0.1483 57 H -2.7396 -3.2217 1.3675 H 1 UNL1111111111 0.1595 58 H -1.2227 -2.8227 2.1759 H 1 UNL1111111111 0.1729 59 H -1.3686 -4.3340 1.2594 H 1 UNL1111111111 0.1588 60 H -1.4426 -1.6997 -1.8563 H 1 UNL1111111111 0.1573 61 H 7.7087 -3.0491 1.0788 H 1 UNL1111111111 0.1137 62 H 8.2283 -0.6373 1.6539 H 1 UNL1111111111 0.1519 63 H 6.9968 -1.3481 2.7074 H 1 UNL1111111111 0.1345 64 H 3.3516 -3.5346 -1.6499 H 1 UNL1111111111 0.1509 65 H 5.2013 -0.2731 1.1330 H 1 UNL1111111111 0.1602 66 H 6.1247 0.8177 2.1823 H 1 UNL1111111111 0.1390 67 H 5.2412 -3.1258 1.4774 H 1 UNL1111111111 0.1451 68 H 5.3518 -2.0870 -1.4427 H 1 UNL1111111111 0.1693 69 H -3.7963 -2.9881 -0.2854 H 1 UNL1111111111 0.1652 70 H -0.8542 2.9907 2.1784 H 1 UNL1111111111 0.1597 71 H 0.4907 1.7987 3.7861 H 1 UNL1111111111 0.1501 72 H 7.6130 0.5381 -0.3264 H 1 UNL1111111111 0.1594 73 H 1.3536 2.4943 -1.1174 H 1 UNL1111111111 0.1496 74 H -5.7358 -3.3705 -1.5689 H 1 UNL1111111111 0.1742 75 H -5.8317 -2.8069 -3.2590 H 1 UNL1111111111 0.1458 76 H 2.8111 4.9115 0.1929 H 1 UNL1111111111 0.1554 77 H 2.4169 3.3740 0.9881 H 1 UNL1111111111 0.1529 78 H -1.2644 0.3757 0.5657 H 1 UNL1111111111 0.1578 79 H 3.3465 0.1870 2.5779 H 1 UNL1111111111 0.1696 80 H 2.5063 0.5126 4.0990 H 1 UNL1111111111 0.1554 81 H 2.3692 -1.0819 3.3482 H 1 UNL1111111111 0.1612 82 H -2.1928 0.2926 2.9349 H 1 UNL1111111111 0.1542 83 H -2.1198 1.7374 3.9516 H 1 UNL1111111111 0.1419 84 H -3.0584 1.7561 2.4526 H 1 UNL1111111111 0.1573 85 H 0.4110 5.4042 -0.4952 H 1 UNL1111111111 0.1582 86 H -2.9035 -0.5406 -3.0990 H 1 UNL1111111111 0.1643 87 H -4.3506 -0.9730 -4.0069 H 1 UNL1111111111 0.1417 88 H -2.9505 -2.0484 -4.0231 H 1 UNL1111111111 0.1610 89 H -1.2535 1.9227 -1.3553 H 1 UNL1111111111 0.1541 90 H 4.1634 3.6010 -1.5683 H 1 UNL1111111111 0.1598 91 H 4.4967 2.0850 1.1135 H 1 UNL1111111111 0.1435 92 H -6.5116 -0.6310 -2.4921 H 1 UNL1111111111 0.3100 93 H 7.5694 2.2310 -1.9060 H 1 UNL1111111111 0.1443 94 H 5.9248 2.4349 -2.5156 H 1 UNL1111111111 0.1564 95 H 6.6592 3.6839 -1.4864 H 1 UNL1111111111 0.1522 96 HA -8.4268 0.1014 -0.8021 H 1 UNL1111111111 0.1931 97 H 8.9880 -3.2111 -0.9077 H 1 UNL1111111111 0.1164 98 H 7.3427 -3.5092 -1.5753 H 1 UNL1111111111 0.1247 99 H 8.3754 -2.2092 -2.2710 H 1 UNL1111111111 0.1448 100 H -2.9167 4.3465 -0.5364 H 1 UNL1111111111 0.1575 101 H -2.4375 4.2139 1.1557 H 1 UNL1111111111 0.1602 102 H -1.8963 5.5978 0.1903 H 1 UNL1111111111 0.1507 103 H1 -6.4017 1.4994 -1.3151 H 1 UNL1111111111 0.1158 104 H2 -7.2007 2.1690 0.1648 H 1 UNL1111111111 0.1714 105 H -7.3541 -0.6242 1.8817 H 1 UNL1111111111 0.3355 106 H 1.2968 2.7096 -3.5057 H 1 UNL1111111111 0.1233 107 H 0.1248 4.0359 -3.1534 H 1 UNL1111111111 0.1198 108 H 1.5940 4.3740 -4.1305 H 1 UNL1111111111 0.1375 109 H -4.9404 0.4623 0.2389 H 1 UNL1111111111 0.3182 110 H -9.4616 0.2430 2.6949 H 1 UNL1111111111 0.1354 @BOND 1 1 11 1 2 1 20 1 3 2 17 1 4 2 45 1 5 3 20 2 6 4 30 1 7 4 49 1 8 5 46 2 9 6 48 1 10 6 109 1 11 7 50 2 12 8 31 1 13 8 46 am 14 8 92 1 15 9 44 1 16 9 50 am 17 9 105 1 18 10 11 1 19 10 13 1 20 10 14 1 21 10 51 1 22 11 12 1 23 11 52 1 24 12 15 1 25 12 16 2 26 13 53 1 27 13 54 1 28 13 55 1 29 14 19 2 30 14 56 1 31 15 57 1 32 15 58 1 33 15 59 1 34 16 24 1 35 16 60 1 36 17 18 1 37 17 22 1 38 17 61 1 39 18 21 1 40 18 62 1 41 18 63 1 42 19 23 1 43 19 64 1 44 20 25 1 45 21 29 1 46 21 65 1 47 21 66 1 48 22 23 2 49 22 67 1 50 23 68 1 51 24 27 2 52 24 69 1 53 25 28 2 54 25 35 1 55 26 28 1 56 26 34 1 57 26 36 1 58 26 70 1 59 27 31 1 60 27 39 1 61 28 71 1 62 29 33 2 63 29 72 1 64 30 32 1 65 30 37 1 66 30 73 1 67 31 74 1 68 31 75 1 69 32 41 1 70 32 76 1 71 32 77 1 72 33 42 1 73 33 43 1 74 34 40 2 75 34 78 1 76 35 79 1 77 35 80 1 78 35 81 1 79 36 82 1 80 36 83 1 81 36 84 1 82 37 38 2 83 37 85 1 84 38 40 1 85 38 47 1 86 39 86 1 87 39 87 1 88 39 88 1 89 40 89 1 90 41 42 2 91 41 90 1 92 42 91 1 93 43 93 1 94 43 94 1 95 43 95 1 96 44 46 1 97 44 48 1 98 44 96 1 99 45 97 1 100 45 98 1 101 45 99 1 102 47 100 1 103 47 101 1 104 47 102 1 105 48 103 1 106 48 104 1 107 49 106 1 108 49 107 1 109 49 108 1 110 50 110 1