@MOLECULE (1s,2r,3s,5s,6s,16e,18e,20r,21s)-11-chloro-21-hydroxy-12,15,20-trimethoxy-2,5,9,16-tetramethyl-8,23-dioxo-4,24-dioxa-9,22-diazatetracyclo[19.3.1.1~10,14~.0~3,5~]hexacosa-10(26),11,13,16,18-pentaen-6-yl 2-methylpropanoate 91 94 0 0 0 SMALL GASTEIGER @ATOM 1 CL 4.1766 2.1713 -1.9876 Cl 1 UNL11 -0.0227 2 O -1.6297 4.1540 0.0061 O.3 1 UNL11 -0.3408 3 O -0.0458 1.1898 0.8793 O.3 1 UNL11 -0.4721 4 O -5.4193 1.1975 -0.3786 O.3 1 UNL11 -0.4081 5 O -3.4735 -1.4469 0.9639 O.3 1 UNL11 -0.5724 6 O -3.6049 -3.4086 -0.8337 O.3 1 UNL11 -0.4230 7 O 2.8136 3.7729 1.3978 O.2 1 UNL11 -0.4813 8 O -7.2055 -0.0856 -0.6213 O.2 1 UNL11 -0.4901 9 O 1.1334 1.3944 2.7762 O.2 1 UNL11 -0.5033 10 O 3.2667 -3.2420 1.7413 O.3 1 UNL11 -0.3749 11 O 4.1192 -0.4049 -3.4424 O.3 1 UNL11 -0.3258 12 N -5.1930 -1.1494 -0.5785 N.am 1 UNL11 -0.6892 13 N 3.5455 1.7125 0.8707 N.am 1 UNL11 -0.4829 14 C -1.0526 2.8838 -0.3000 C.3 1 UNL11 0.1294 15 C -2.3290 3.0001 0.4830 C.3 1 UNL11 -0.0089 16 C -3.6971 2.7504 -0.1070 C.3 1 UNL11 -0.1387 17 C 0.1879 2.5584 0.5332 C.3 1 UNL11 0.1272 18 C -4.0916 1.2812 0.1501 C.3 1 UNL11 0.1396 19 C -1.0029 2.5200 -1.7517 C.3 1 UNL11 -0.4541 20 C -4.7086 3.6894 0.5534 C.3 1 UNL11 -0.4408 21 C -3.1864 0.2889 -0.5724 C.3 1 UNL11 -0.3891 22 C 1.4990 2.6544 -0.2480 C.3 1 UNL11 -0.4071 23 C -3.7520 -1.1206 -0.3716 C.3 1 UNL11 0.4756 24 C -3.1060 -2.1782 -1.3397 C.3 1 UNL11 0.0323 25 C 2.6459 2.7777 0.7317 C.2 1 UNL11 0.6098 26 C -6.0043 -0.0246 -0.5030 C.2 1 UNL11 0.7311 27 C 0.4035 0.7376 2.0846 C.2 1 UNL11 0.6063 28 C -0.1820 -0.6251 2.3532 C.3 1 UNL11 -0.1346 29 C -1.6185 -2.0983 -1.2807 C.2 1 UNL11 -0.2378 30 C 3.5172 0.5591 0.0608 C.ar 1 UNL11 0.2223 31 C 4.3086 1.6353 2.1252 C.3 1 UNL11 -0.2161 32 C -1.5760 -0.4144 2.9469 C.3 1 UNL11 -0.4280 33 C 0.7275 -1.3830 3.3168 C.3 1 UNL11 -0.4541 34 C -0.8745 -2.8764 -0.4824 C.2 1 UNL11 -0.0866 35 C -3.4823 -4.4923 -1.7363 C.3 1 UNL11 -0.1820 36 C 3.2529 -0.7063 0.6037 C.ar 1 UNL11 -0.2381 37 C 3.7857 0.6653 -1.3127 C.ar 1 UNL11 -0.1558 38 C 0.5708 -2.7427 -0.4370 C.2 1 UNL11 -0.2466 39 C 3.2407 -1.8334 -0.2116 C.ar 1 UNL11 0.0075 40 C 2.8864 -3.1800 0.3718 C.3 1 UNL11 0.0716 41 C 1.3872 -3.4214 0.3848 C.2 1 UNL11 0.0530 42 C 3.7667 -0.4709 -2.1181 C.ar 1 UNL11 0.2224 43 C 3.4997 -1.7281 -1.5778 C.ar 1 UNL11 -0.2631 44 C 0.9546 -4.4553 1.3602 C.3 1 UNL11 -0.4512 45 C 4.6679 -3.3222 1.9343 C.3 1 UNL11 -0.2017 46 C 3.0444 0.0174 -4.2790 C.3 1 UNL11 -0.1942 47 H -2.2866 2.8843 1.5750 H 1 UNL11 0.1599 48 H -3.7000 2.9462 -1.2077 H 1 UNL11 0.1614 49 H 0.2270 3.1899 1.4583 H 1 UNL11 0.1779 50 H -4.1638 1.0535 1.2394 H 1 UNL11 0.1514 51 H -1.9744 2.6493 -2.2485 H 1 UNL11 0.1586 52 H -0.2974 3.1640 -2.2982 H 1 UNL11 0.1633 53 H -0.6874 1.4762 -1.8901 H 1 UNL11 0.1624 54 H -5.7134 3.5476 0.1290 H 1 UNL11 0.1681 55 H -4.7879 3.5222 1.6331 H 1 UNL11 0.1496 56 H -4.4296 4.7395 0.3976 H 1 UNL11 0.1563 57 H -3.1131 0.5279 -1.6488 H 1 UNL11 0.1675 58 H -2.1489 0.3389 -0.1630 H 1 UNL11 0.2074 59 H 1.5845 1.7900 -0.9322 H 1 UNL11 0.1789 60 H 1.4968 3.5645 -0.8906 H 1 UNL11 0.1948 61 H -3.4851 -2.0214 -2.3763 H 1 UNL11 0.1432 62 H -5.6419 -2.0608 -0.6145 H 1 UNL11 0.3379 63 H -3.6160 -2.3998 1.1470 H 1 UNL11 0.3417 64 H -0.2734 -1.1939 1.3890 H 1 UNL11 0.1783 65 H -1.1753 -1.3446 -1.9292 H 1 UNL11 0.1547 66 H 5.1663 0.9547 2.0207 H 1 UNL11 0.1413 67 H 3.6652 1.3018 2.9612 H 1 UNL11 0.1558 68 H 4.6931 2.6449 2.3780 H 1 UNL11 0.1768 69 H -2.2306 0.1319 2.2529 H 1 UNL11 0.1623 70 H -2.0691 -1.3761 3.1362 H 1 UNL11 0.1552 71 H -1.5409 0.1340 3.8949 H 1 UNL11 0.1513 72 H 1.0245 -0.7587 4.1711 H 1 UNL11 0.1655 73 H 1.6490 -1.7256 2.8257 H 1 UNL11 0.1584 74 H 0.2259 -2.2704 3.7186 H 1 UNL11 0.1496 75 H -1.3354 -3.6219 0.1697 H 1 UNL11 0.1565 76 H -4.0981 -4.3237 -2.6259 H 1 UNL11 0.1283 77 H -2.4359 -4.6599 -2.0110 H 1 UNL11 0.1295 78 H -3.8684 -5.3402 -1.1555 H 1 UNL11 0.1480 79 H 3.0378 -0.8032 1.6718 H 1 UNL11 0.1943 80 H 0.9779 -1.9995 -1.1317 H 1 UNL11 0.1660 81 H 3.3925 -4.0072 -0.1857 H 1 UNL11 0.1431 82 H 3.5021 -2.6010 -2.2264 H 1 UNL11 0.1775 83 H 1.0211 -4.0642 2.3919 H 1 UNL11 0.1795 84 H 1.6034 -5.3432 1.3298 H 1 UNL11 0.1616 85 H -0.0760 -4.7980 1.2064 H 1 UNL11 0.1519 86 H 5.0631 -4.2580 1.5291 H 1 UNL11 0.1215 87 H 5.1822 -2.4599 1.4962 H 1 UNL11 0.1361 88 H 4.7628 -3.3079 3.0277 H 1 UNL11 0.1475 89 H 2.2290 -0.7109 -4.2464 H 1 UNL11 0.1263 90 H 2.6932 1.0180 -4.0118 H 1 UNL11 0.1380 91 H 3.5148 0.0316 -5.2711 H 1 UNL11 0.1525 @BOND 1 1 37 1 2 2 14 1 3 2 15 1 4 3 17 1 5 3 27 1 6 4 18 1 7 4 26 1 8 5 23 1 9 5 63 1 10 6 24 1 11 6 35 1 12 7 25 2 13 8 26 2 14 9 27 2 15 10 40 1 16 10 45 1 17 11 42 1 18 11 46 1 19 12 23 1 20 12 26 am 21 12 62 1 22 13 25 am 23 13 30 1 24 13 31 1 25 14 15 1 26 14 19 1 27 15 16 1 28 15 47 1 29 16 18 1 30 16 20 1 31 16 48 1 32 17 14 1 33 17 22 1 34 17 49 1 35 18 21 1 36 18 50 1 37 19 51 1 38 19 52 1 39 19 53 1 40 20 54 1 41 20 55 1 42 20 56 1 43 21 23 1 44 21 57 1 45 21 58 1 46 22 25 1 47 22 59 1 48 22 60 1 49 23 24 1 50 24 29 1 51 24 61 1 52 27 28 1 53 28 32 1 54 28 33 1 55 28 64 1 56 29 34 2 57 29 65 1 58 30 36 ar 59 30 37 ar 60 31 66 1 61 31 67 1 62 31 68 1 63 32 69 1 64 32 70 1 65 32 71 1 66 33 72 1 67 33 73 1 68 33 74 1 69 34 38 1 70 34 75 1 71 35 76 1 72 35 77 1 73 35 78 1 74 36 39 ar 75 36 79 1 76 37 42 ar 77 38 41 2 78 38 80 1 79 39 40 1 80 39 43 ar 81 40 41 1 82 40 81 1 83 41 44 1 84 42 43 ar 85 43 82 1 86 44 83 1 87 44 84 1 88 44 85 1 89 45 86 1 90 45 87 1 91 45 88 1 92 46 89 1 93 46 90 1 94 46 91 1