@MOLECULE (2s,3r,4r,6r,18s)-18-hydroxy-3-methoxy-2-methyl-4-(methylamino)-29-oxa-1,7,17-triazaoctacyclo[12.12.2.1~2,6~.0~7,28~.0~8,13~.0~15,19~.0~20,27~.0~21,26~]nonacosa-8,10,12,14,19,21,23,25,27-nonaen-16-one 62 69 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 N 1.5961 0.1832 -0.7985 N.ar 1 UNL1 -0.3635 2 N -1.1836 1.7736 -0.6188 N.ar 1 UNL1 -0.3910 3 C 1.9682 1.5785 -1.0038 C.3 1 UNL1 0.4653 4 C -0.1673 2.8031 -0.7771 C.3 1 UNL1 0.3350 5 C 2.4700 2.2971 0.2874 C.3 1 UNL1 -0.0040 6 C -1.0650 -3.7924 0.4103 C.3 1 UNL1 0.3606 7 C 1.3300 2.5649 1.3047 C.3 1 UNL1 0.0330 8 C 3.8793 -0.9375 -0.6367 C.ar 1 UNL1 -0.2260 9 C 2.3653 -3.2862 -0.0972 C.ar 1 UNL1 -0.0790 10 C -3.2947 3.1583 -0.4663 C.ar 1 UNL1 -0.2668 11 C -4.5414 0.6514 0.0913 C.ar 1 UNL1 -0.0460 12 C 4.4942 -2.1652 -0.4280 C.ar 1 UNL1 -0.1066 13 C 3.7521 -3.3272 -0.1723 C.ar 1 UNL1 -0.2117 14 C -4.6605 3.0608 -0.2324 C.ar 1 UNL1 -0.0771 15 C -5.2763 1.8303 0.0430 C.ar 1 UNL1 -0.2254 16 C 2.9977 1.6964 -2.1440 C.3 1 UNL1 -0.4828 17 C 4.4536 2.0968 1.5674 C.3 1 UNL1 -0.2116 18 C 1.4650 0.6953 2.9086 C.3 1 UNL1 -0.2647 19 H -1.0344 -4.3566 -1.4961 H 1 UNL1 0.3370 20 H -3.0010 -4.7107 0.7899 H 1 UNL1 0.3248 21 H -0.2573 1.4329 2.0217 H 1 UNL1 0.2726 22 O -4.3441 -2.4654 0.5055 O.2 1 UNL1 -0.5142 23 O -0.7091 -4.6614 -0.6215 O.3 1 UNL1 -0.5629 24 O 3.4581 1.4357 0.8073 O.3 1 UNL1 -0.3485 25 C -3.1509 -2.6147 0.4184 C.2 1 UNL1 0.6250 26 C -0.8435 -2.3293 0.0655 C.ar 1 UNL1 -0.0673 27 C -2.0692 -1.6484 0.0921 C.ar 1 UNL1 -0.1537 28 C 0.2778 3.4155 0.5659 C.3 1 UNL1 -0.3955 29 N 0.7292 1.3141 1.7947 N.3 1 UNL1 -0.5483 30 N -2.5224 -3.8505 0.6419 N.am 1 UNL1 -0.6854 31 C 0.3388 -1.6767 -0.2218 C.ar 1 UNL1 -0.0658 32 C -2.1283 -0.2847 -0.1478 C.ar 1 UNL1 0.0061 33 C 2.4851 -0.8891 -0.5810 C.ar 1 UNL1 0.1890 34 C 1.7238 -2.0678 -0.2808 C.ar 1 UNL1 -0.0840 35 C -2.5539 1.9755 -0.4194 C.ar 1 UNL1 0.1769 36 C -3.1714 0.7108 -0.1372 C.ar 1 UNL1 -0.1021 37 O 0.8756 2.2892 -1.5513 O.3 1 UNL1 -0.4250 38 C 0.3077 -0.2661 -0.5042 C.ar 1 UNL1 0.1813 39 C -0.9100 0.4126 -0.4472 C.ar 1 UNL1 0.0907 40 H -0.5698 3.5976 -1.4736 H 1 UNL1 0.1621 41 H 2.9191 3.2731 -0.0119 H 1 UNL1 0.1332 42 H 0.6926 4.4246 0.3769 H 1 UNL1 0.1620 43 H -0.6105 3.5758 1.2101 H 1 UNL1 0.1737 44 H -0.4856 -4.1718 1.2839 H 1 UNL1 0.1583 45 H 1.7596 3.1687 2.1487 H 1 UNL1 0.1230 46 H 4.4687 -0.0437 -0.8091 H 1 UNL1 0.1622 47 H 2.8930 2.6601 -2.6614 H 1 UNL1 0.1731 48 H 4.0236 1.6170 -1.7688 H 1 UNL1 0.1662 49 H 2.8461 0.9118 -2.9000 H 1 UNL1 0.1818 50 H 1.7817 -4.1871 0.0937 H 1 UNL1 0.1659 51 H -2.8291 4.1100 -0.6833 H 1 UNL1 0.1509 52 H -5.0193 -0.3106 0.3041 H 1 UNL1 0.1891 53 H 5.5805 -2.2285 -0.4630 H 1 UNL1 0.1408 54 H 4.2741 -4.2692 -0.0296 H 1 UNL1 0.1475 55 H -5.2717 3.9621 -0.2629 H 1 UNL1 0.1406 56 H -6.3485 1.8020 0.2197 H 1 UNL1 0.1518 57 H 5.1035 1.2670 1.8792 H 1 UNL1 0.1539 58 H 5.0132 2.8077 0.9529 H 1 UNL1 0.1223 59 H 4.0238 2.5872 2.4449 H 1 UNL1 0.1243 60 H 2.4625 0.3755 2.5533 H 1 UNL1 0.1650 61 H 1.5919 1.3421 3.7881 H 1 UNL1 0.1095 62 H 0.9282 -0.2214 3.2122 H 1 UNL1 0.1546 @BOND 1 49 16 1 2 47 16 1 3 16 48 1 4 16 3 1 5 37 3 1 6 37 4 1 7 19 23 1 8 40 4 1 9 3 1 1 10 3 5 1 11 46 8 1 12 1 33 ar 13 1 38 ar 14 4 2 1 15 4 28 1 16 51 10 1 17 8 33 ar 18 8 12 ar 19 23 6 1 20 2 39 ar 21 2 35 ar 22 33 34 ar 23 38 39 ar 24 38 31 ar 25 10 35 ar 26 10 14 ar 27 53 12 1 28 39 32 ar 29 12 13 ar 30 35 36 ar 31 34 31 ar 32 34 9 ar 33 55 14 1 34 14 15 ar 35 31 26 ar 36 13 9 ar 37 13 54 1 38 32 36 ar 39 32 27 ar 40 36 11 ar 41 9 50 1 42 41 5 1 43 15 11 ar 44 15 56 1 45 26 27 ar 46 26 6 1 47 11 52 1 48 27 25 1 49 5 24 1 50 5 7 1 51 42 28 1 52 6 30 1 53 6 44 1 54 25 22 2 55 25 30 am 56 28 43 1 57 28 7 1 58 30 20 1 59 24 17 1 60 58 17 1 61 7 29 1 62 7 45 1 63 17 57 1 64 17 59 1 65 29 21 1 66 29 18 1 67 60 18 1 68 18 62 1 69 18 61 1