@MOLECULE (1s,2r,3r,5s,6s,20r,21s)-11-chloro-21-hydroxy-12,20-dimethoxy-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-[methyl(propionyl)amino]propanoate 97 100 0 0 0 SMALL GASTEIGER @ATOM 1 CL -1.6034 2.0980 -1.1601 Cl 1 UNL11 -0.0529 2 O -0.2014 -2.0408 2.5159 O.3 1 UNL11 -0.3441 3 O -2.7375 -1.5972 0.6998 O.3 1 UNL11 -0.4001 4 O 0.6672 -3.0173 -1.7315 O.3 1 UNL11 -0.4189 5 O 3.7599 -3.2145 -0.4745 O.3 1 UNL11 -0.5846 6 O 5.0381 -0.8858 -1.3072 O.3 1 UNL11 -0.4190 7 O -0.6064 -0.0725 0.7807 O.2 1 UNL11 -0.5152 8 O 1.2613 -2.3597 -3.7469 O.2 1 UNL11 -0.5340 9 O -4.9877 -1.5107 0.7625 O.2 1 UNL11 -0.5058 10 O -4.0284 1.0334 0.4640 O.2 1 UNL11 -0.5729 11 O 0.8729 2.8796 -2.5755 O.3 1 UNL11 -0.3461 12 N 2.7035 -1.8619 -2.0597 N.am 1 UNL11 -0.6815 13 N -0.9974 1.8750 1.8176 N.am 1 UNL11 -0.5122 14 N -4.4557 0.2729 -1.6060 N.am 1 UNL11 -0.4939 15 C -1.5487 -2.5112 2.5943 C.3 1 UNL11 0.1221 16 C -0.5210 -3.2066 1.7520 C.3 1 UNL11 0.0213 17 C -0.4995 -3.1033 0.2518 C.3 1 UNL11 -0.1542 18 C -2.6371 -1.5552 2.1208 C.3 1 UNL11 0.1293 19 C 0.9284 -3.1736 -0.3240 C.3 1 UNL11 0.1600 20 C -1.9027 -3.1407 3.9213 C.3 1 UNL11 -0.4774 21 C -1.3556 -4.2344 -0.3226 C.3 1 UNL11 -0.4424 22 C 1.8332 -2.0746 0.2169 C.3 1 UNL11 -0.3840 23 C -2.3139 -0.1036 2.5055 C.3 1 UNL11 -0.3946 24 C 3.0829 -1.9958 -0.6595 C.3 1 UNL11 0.4705 25 C 4.0334 -0.8056 -0.2973 C.3 1 UNL11 0.0391 26 C -1.2835 0.5089 1.5966 C.2 1 UNL11 0.6468 27 C 1.5422 -2.4223 -2.5678 C.2 1 UNL11 0.7477 28 C -3.9603 -1.3553 0.1577 C.2 1 UNL11 0.6000 29 C -3.8403 -1.0399 -1.3388 C.3 1 UNL11 0.0593 30 C 4.6733 -1.0050 1.0398 C.2 1 UNL11 -0.2070 31 C 0.0027 2.4383 0.9678 C.ar 1 UNL11 0.2234 32 C -1.9991 2.7974 2.3557 C.3 1 UNL11 -0.2300 33 C -2.4045 -1.1072 -1.8531 C.3 1 UNL11 -0.4875 34 C 4.6311 -0.0899 2.0128 C.2 1 UNL11 -0.1232 35 C 5.7472 0.3231 -1.4961 C.3 1 UNL11 -0.1835 36 C 1.1921 2.8690 1.5640 C.ar 1 UNL11 -0.2354 37 C -0.1223 2.4791 -0.4240 C.ar 1 UNL11 -0.1182 38 C -4.6883 0.5685 -3.0223 C.3 1 UNL11 -0.2269 39 C -4.4006 1.2906 -0.6678 C.2 1 UNL11 0.6048 40 C 3.8907 1.1626 1.8890 C.2 1 UNL11 -0.2280 41 C 2.2772 3.2457 0.7709 C.ar 1 UNL11 0.0645 42 C 3.5809 3.5879 1.4289 C.3 1 UNL11 -0.3077 43 C 4.4295 2.3542 1.6040 C.2 1 UNL11 0.0522 44 C 0.9741 2.8312 -1.2096 C.ar 1 UNL11 0.2301 45 C 2.1776 3.2195 -0.6200 C.ar 1 UNL11 -0.2537 46 C -4.8975 2.6561 -1.0847 C.3 1 UNL11 -0.3305 47 C 5.8945 2.5786 1.4382 C.3 1 UNL11 -0.4619 48 C -4.6851 3.6685 0.0356 C.3 1 UNL11 -0.4161 49 C 0.9978 1.5859 -3.1724 C.3 1 UNL11 -0.1816 50 H -0.0588 -4.1200 2.1485 H 1 UNL11 0.1411 51 H -0.9146 -2.1018 -0.0643 H 1 UNL11 0.2176 52 H -3.6233 -1.8608 2.5588 H 1 UNL11 0.1602 53 H 1.3936 -4.1793 -0.2296 H 1 UNL11 0.1428 54 H -2.6532 -3.9319 3.7955 H 1 UNL11 0.1597 55 H -1.0229 -3.5918 4.4013 H 1 UNL11 0.1634 56 H -2.3013 -2.4071 4.6333 H 1 UNL11 0.1553 57 H -1.0078 -5.2195 0.0035 H 1 UNL11 0.1377 58 H -1.3299 -4.2316 -1.4217 H 1 UNL11 0.1642 59 H -2.4023 -4.1266 -0.0151 H 1 UNL11 0.1488 60 H 1.3021 -1.0947 0.2402 H 1 UNL11 0.2099 61 H 2.1032 -2.2755 1.2738 H 1 UNL11 0.1888 62 H -1.9572 -0.0543 3.5552 H 1 UNL11 0.1798 63 H -3.2591 0.4900 2.4620 H 1 UNL11 0.2024 64 H 3.4800 0.1580 -0.3819 H 1 UNL11 0.1557 65 H 3.3998 -1.5125 -2.7107 H 1 UNL11 0.3377 66 H 4.6052 -3.2382 -0.9692 H 1 UNL11 0.3379 67 H -4.4706 -1.8156 -1.8676 H 1 UNL11 0.1609 68 H 5.2012 -1.9515 1.1539 H 1 UNL11 0.1657 69 H -2.9953 2.6312 1.8969 H 1 UNL11 0.1664 70 H -1.7119 3.8458 2.1740 H 1 UNL11 0.1472 71 H -2.0826 2.6529 3.4472 H 1 UNL11 0.1442 72 H -1.7011 -0.5741 -1.1897 H 1 UNL11 0.1984 73 H -2.0430 -2.1439 -1.9152 H 1 UNL11 0.1775 74 H -2.2955 -0.6686 -2.8502 H 1 UNL11 0.1593 75 H 5.1216 -0.2489 2.9750 H 1 UNL11 0.1508 76 H 6.4906 0.0582 -2.2580 H 1 UNL11 0.1429 77 H 6.2424 0.6326 -0.5700 H 1 UNL11 0.1274 78 H 5.0788 1.1101 -1.8613 H 1 UNL11 0.1266 79 H 1.2751 2.8609 2.6502 H 1 UNL11 0.1765 80 H -5.6586 1.0807 -3.1489 H 1 UNL11 0.1431 81 H -3.8888 1.2013 -3.4495 H 1 UNL11 0.1457 82 H -4.7357 -0.3608 -3.6173 H 1 UNL11 0.1562 83 H 2.8102 1.0386 2.0340 H 1 UNL11 0.1819 84 H 4.1219 4.3576 0.8382 H 1 UNL11 0.1598 85 H 3.4141 4.0610 2.4219 H 1 UNL11 0.1631 86 H 3.0201 3.4880 -1.2516 H 1 UNL11 0.1745 87 H -4.3774 3.0006 -2.0030 H 1 UNL11 0.1667 88 H -5.9766 2.5906 -1.3402 H 1 UNL11 0.1652 89 H 6.2576 3.3672 2.1126 H 1 UNL11 0.1536 90 H 6.1408 2.8888 0.4128 H 1 UNL11 0.1549 91 H 6.4864 1.6777 1.6560 H 1 UNL11 0.1580 92 H -5.1102 3.3070 0.9826 H 1 UNL11 0.1585 93 H -5.1567 4.6288 -0.1994 H 1 UNL11 0.1427 94 H -3.6167 3.8557 0.2059 H 1 UNL11 0.1550 95 H 0.7627 1.7857 -4.2240 H 1 UNL11 0.1471 96 H 0.2883 0.8655 -2.7520 H 1 UNL11 0.1491 97 H 2.0249 1.2253 -3.0609 H 1 UNL11 0.1319 @BOND 1 1 37 1 2 2 15 1 3 2 16 1 4 3 18 1 5 3 28 1 6 4 19 1 7 4 27 1 8 5 24 1 9 5 66 1 10 6 25 1 11 6 35 1 12 7 26 2 13 8 27 2 14 9 28 2 15 10 39 2 16 11 44 1 17 11 49 1 18 12 24 1 19 12 27 am 20 12 65 1 21 13 26 am 22 13 31 1 23 13 32 1 24 14 29 1 25 14 38 1 26 14 39 am 27 15 16 1 28 15 18 1 29 15 20 1 30 16 17 1 31 16 50 1 32 17 19 1 33 17 21 1 34 17 51 1 35 18 23 1 36 18 52 1 37 19 22 1 38 19 53 1 39 20 54 1 40 20 55 1 41 20 56 1 42 21 57 1 43 21 58 1 44 21 59 1 45 22 24 1 46 22 60 1 47 22 61 1 48 23 26 1 49 23 62 1 50 23 63 1 51 24 25 1 52 25 30 1 53 25 64 1 54 28 29 1 55 29 33 1 56 29 67 1 57 30 34 2 58 30 68 1 59 31 36 ar 60 31 37 ar 61 32 69 1 62 32 70 1 63 32 71 1 64 33 72 1 65 33 73 1 66 33 74 1 67 34 40 1 68 34 75 1 69 35 76 1 70 35 77 1 71 35 78 1 72 36 41 ar 73 36 79 1 74 37 44 ar 75 38 80 1 76 38 81 1 77 38 82 1 78 39 46 1 79 40 43 2 80 40 83 1 81 41 42 1 82 41 45 ar 83 42 43 1 84 42 84 1 85 42 85 1 86 43 47 1 87 44 45 ar 88 45 86 1 89 46 48 1 90 46 87 1 91 46 88 1 92 47 89 1 93 47 90 1 94 47 91 1 95 48 92 1 96 48 93 1 97 48 94 1 98 49 95 1 99 49 96 1 100 49 97 1