@MOLECULE (2z,4z)-n-{(1e)-3-[(8e,11z)-10,17-dihydroxy-7-(hydroxymethyl)-11-methyl-1,5-dioxo-1,4,5,7,10,13-hexahydro-3h-2,6-benzodioxacyclopentadecin-3-yl]-1-propen-1-yl}-4-(methoxyimino)-2-butenamide 46 47 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 O 1.6874 0.8319 0.2163 O.3 1 UNL1 -0.3659 2 O 1.3564 -2.7777 -0.2598 O.3 1 UNL1 -0.2710 3 O 4.1974 -3.3289 1.6233 O.2 1 UNL1 -0.4567 4 O -0.8280 -2.9241 0.2359 O.2 1 UNL1 -0.5295 5 O 2.0950 5.0584 0.2705 O.2 1 UNL1 -0.4510 6 O 0.5137 2.7411 0.1561 O.2 1 UNL1 -0.5813 7 O -0.7835 -5.4273 -0.9116 O.2 1 UNL1 -0.2281 8 O -4.7558 4.0827 -0.9522 O.2 1 UNL1 -0.4028 9 O -8.1816 -1.6309 1.1277 O.2 1 UNL1 -0.3785 10 N -3.4650 2.1617 -1.0355 N.am 1 UNL1 -0.5528 11 N -7.2593 -0.8773 0.2279 N.2 1 UNL1 0.0110 12 C 0.5047 0.1881 0.0316 C.2 1 UNL1 0.0374 13 C 0.4331 -0.9682 0.8755 C.3 1 UNL1 0.2621 14 C -0.4096 0.6611 -0.7972 C.1 1 UNL1 -0.0047 15 C 4.1011 1.9369 0.3715 C.2 1 UNL1 -0.1199 16 C 4.0460 0.6551 0.6671 C.1 1 UNL1 0.0104 17 C 2.9235 2.8030 0.2941 C.3 1 UNL1 -0.5202 18 C 1.3103 -4.0978 -0.6838 C.2 1 UNL1 -0.1683 19 C 3.9121 -3.0553 0.4809 C.2 1 UNL1 0.5502 20 C 3.7568 -1.6834 -0.0003 C.2 1 UNL1 -0.5986 21 C 0.1961 -2.2699 0.2507 C.2 1 UNL1 0.4256 22 C 3.9982 -0.6161 0.9721 C.2 1 UNL1 -0.1287 23 C 1.6297 2.2781 0.2303 C.2 1 UNL1 0.6710 24 C 2.6154 -4.6359 -0.9866 C.2 1 UNL1 -0.0600 25 C 3.7712 -4.1539 -0.5162 C.2 1 UNL1 -0.2943 26 C -1.3307 1.2483 -1.5106 C.2 1 UNL1 -0.2086 27 C 5.5397 2.3915 0.1573 C.3 1 UNL1 0.2250 28 C 3.0000 4.2648 0.2372 C.2 1 UNL1 0.5396 29 C 0.1582 -4.7670 -0.7805 C.1 1 UNL1 0.4664 30 C 3.3865 -1.3524 -1.2335 C.2 1 UNL1 0.5058 31 C 5.3705 3.7850 0.1121 C.2 1 UNL1 -0.2463 32 C 4.4242 4.5770 0.1158 C.2 1 UNL1 -0.1134 33 C -2.1935 2.2522 -0.8656 C.2 1 UNL1 0.2673 34 C -4.4941 2.9663 -0.5850 C.2 1 UNL1 0.5553 35 C -5.4618 2.2044 0.2987 C.2 1 UNL1 -0.0591 36 C -5.9278 1.0156 -0.1073 C.2 1 UNL1 -0.2215 37 C -6.8620 0.2354 0.7092 C.2 1 UNL1 0.0598 38 C -8.7798 -2.6110 1.3157 C.3 1 UNL1 0.8111 39 H 4.1252 -0.9562 2.0102 H 1 UNL1 0.1974 40 H 2.6107 -5.4981 -1.6639 H 1 UNL1 0.1538 41 H 4.7294 -4.5988 -0.7909 H 1 UNL1 0.1744 42 H -1.4833 1.0658 -2.5768 H 1 UNL1 0.1968 43 H -1.6691 3.0141 -0.2407 H 1 UNL1 0.2129 44 H -5.7236 2.7093 1.2285 H 1 UNL1 0.1759 45 H -5.5997 0.5701 -1.0626 H 1 UNL1 0.2261 46 H -7.1470 0.6654 1.6948 H 1 UNL1 0.2258 @BOND 1 42 26 1 2 40 24 1 3 26 33 1 4 26 14 2 5 30 20 2 6 45 36 1 7 10 33 2 8 10 34 1 9 24 18 1 10 24 25 2 11 8 34 2 12 7 29 2 13 33 43 1 14 14 12 2 15 41 25 1 16 29 18 2 17 18 2 1 18 34 35 1 19 25 19 1 20 2 21 1 21 36 35 2 22 36 37 1 23 20 19 1 24 20 22 1 25 12 1 1 26 12 13 1 27 31 32 2 28 31 27 1 29 32 28 1 30 6 23 2 31 27 15 1 32 1 23 1 33 11 37 2 34 11 9 1 35 23 17 1 36 4 21 2 37 28 5 2 38 28 17 1 39 21 13 1 40 17 15 1 41 35 44 1 42 15 16 2 43 19 3 2 44 16 22 2 45 37 46 1 46 22 39 1 47 9 38 1