@MOLECULE 28-cyclohexyl-22-methoxy-10,16-dimethyl-13-oxa-9-thia-1,8,10,16-tetraazapentacyclo[16.8.1.1~2,6~.1~3,26~.0~20,25~]nonacosa-2(29),3,5,18,20,22,24,26(28)-octaene-7,17-dione 9,9-dioxide 81 86 0 0 0 SMALL GASTEIGER @ATOM 1 S -5.6879 0.8210 1.1371 S.O2 1 UNL11 2.4776 2 O 6.8947 -2.9773 0.4797 O.3 1 UNL11 -0.3149 3 O -0.3587 -2.2333 -2.2002 O.2 1 UNL11 -0.4861 4 O -3.9764 2.5020 -0.7853 O.2 1 UNL11 -0.5149 5 O -3.7468 -2.6591 -0.9850 O.3 1 UNL11 -0.4084 6 O -6.5559 1.9441 1.3370 O.2 1 UNL11 -0.8565 7 O -5.6361 -0.2630 2.0917 O.2 1 UNL11 -0.9074 8 N 1.1116 -0.1448 0.7900 N.ar 1 UNL11 -0.2895 9 N -0.7096 -3.8463 -0.6621 N.am 1 UNL11 -0.4963 10 N -4.0030 1.3235 1.1460 N.am 1 UNL11 -0.9109 11 N -5.9948 0.1492 -0.4323 N.3 1 UNL11 -0.6929 12 C 3.4547 2.5370 -0.2768 C.3 1 UNL11 -0.0850 13 C 3.2872 3.0447 -1.7233 C.3 1 UNL11 -0.2618 14 C 3.5737 3.7179 0.7073 C.3 1 UNL11 -0.2642 15 C 2.3162 1.6660 0.1003 C.ar 1 UNL11 -0.1286 16 C 4.4642 3.9498 -2.1045 C.3 1 UNL11 -0.2604 17 C 4.7501 4.6183 0.3125 C.3 1 UNL11 -0.2629 18 C 4.5789 5.1267 -1.1257 C.3 1 UNL11 -0.2647 19 C 2.3974 0.3268 0.4658 C.ar 1 UNL11 0.1085 20 C 0.9243 2.0303 0.1118 C.ar 1 UNL11 -0.0321 21 C 0.1891 0.8549 0.4869 C.ar 1 UNL11 0.0946 22 C 3.5508 -0.5540 0.5246 C.ar 1 UNL11 -0.0902 23 C 0.8074 -1.5633 0.9164 C.3 1 UNL11 -0.0687 24 C 0.2200 3.2030 -0.1777 C.ar 1 UNL11 -0.1285 25 C -1.2056 0.8325 0.5212 C.ar 1 UNL11 -0.1712 26 C 3.5616 -1.7945 -0.1414 C.ar 1 UNL11 0.0596 27 C 1.1457 -2.2601 -0.3723 C.2 1 UNL11 -0.1486 28 C -1.8615 2.0103 0.1991 C.ar 1 UNL11 -0.1123 29 C 2.3935 -2.3182 -0.8543 C.2 1 UNL11 -0.0926 30 C -1.1637 3.1855 -0.1376 C.ar 1 UNL11 -0.1364 31 C 4.6866 -0.1312 1.2234 C.ar 1 UNL11 -0.0623 32 C 4.7179 -2.5718 -0.1358 C.ar 1 UNL11 -0.2647 33 C -0.0211 -2.7543 -1.1579 C.2 1 UNL11 0.5676 34 C 5.8422 -0.9028 1.2482 C.ar 1 UNL11 -0.2953 35 C 5.8480 -2.1161 0.5567 C.ar 1 UNL11 0.2614 36 C -3.3448 2.0091 0.1231 C.2 1 UNL11 0.6204 37 C -2.0154 -4.1980 -1.2193 C.3 1 UNL11 -0.0828 38 C -0.2846 -4.5598 0.5392 C.3 1 UNL11 -0.2277 39 C -3.1850 -3.7703 -0.3067 C.3 1 UNL11 -0.0668 40 C -4.9554 -0.6945 -1.0474 C.3 1 UNL11 -0.1017 41 C -4.7903 -2.0152 -0.2629 C.3 1 UNL11 -0.0634 42 C 8.1158 -2.5755 1.0861 C.3 1 UNL11 -0.2025 43 C -6.6051 1.0730 -1.4057 C.3 1 UNL11 -0.2505 44 H 4.4103 1.9513 -0.2362 H 1 UNL11 0.1431 45 H 2.3332 3.5909 -1.8321 H 1 UNL11 0.1430 46 H 3.2218 2.1824 -2.4131 H 1 UNL11 0.1420 47 H 2.6343 4.2999 0.7182 H 1 UNL11 0.1418 48 H 3.7054 3.3379 1.7359 H 1 UNL11 0.1304 49 H 5.4041 3.3676 -2.1073 H 1 UNL11 0.1326 50 H 4.3343 4.3249 -3.1359 H 1 UNL11 0.1290 51 H 5.7010 4.0621 0.4045 H 1 UNL11 0.1313 52 H 4.8254 5.4711 1.0103 H 1 UNL11 0.1255 53 H 5.4302 5.7722 -1.4044 H 1 UNL11 0.1230 54 H 3.6768 5.7627 -1.1953 H 1 UNL11 0.1359 55 H 1.4129 -1.9829 1.7615 H 1 UNL11 0.1679 56 H -0.2638 -1.6937 1.1988 H 1 UNL11 0.1597 57 H 0.7586 4.1111 -0.4439 H 1 UNL11 0.1625 58 H -1.7414 -0.0842 0.7505 H 1 UNL11 0.1614 59 H 2.6050 -2.7835 -1.8248 H 1 UNL11 0.1792 60 H -1.7328 4.0821 -0.3877 H 1 UNL11 0.1678 61 H 4.6603 0.8206 1.7609 H 1 UNL11 0.1649 62 H 4.7597 -3.5262 -0.6568 H 1 UNL11 0.1780 63 H 6.7127 -0.5588 1.7961 H 1 UNL11 0.1667 64 H -2.0519 -5.2904 -1.4155 H 1 UNL11 0.1375 65 H -2.1365 -3.6905 -2.2178 H 1 UNL11 0.2009 66 H -3.4540 1.0323 1.9565 H 1 UNL11 0.3325 67 H -0.7327 -4.1342 1.4537 H 1 UNL11 0.1329 68 H 0.8156 -4.5362 0.6431 H 1 UNL11 0.1544 69 H -0.5782 -5.6231 0.4773 H 1 UNL11 0.1475 70 H -2.8517 -3.4721 0.7012 H 1 UNL11 0.1252 71 H -3.9471 -4.5629 -0.2204 H 1 UNL11 0.1171 72 H -5.2605 -0.9463 -2.0924 H 1 UNL11 0.1600 73 H -3.9672 -0.1885 -1.1536 H 1 UNL11 0.1491 74 H -5.7007 -2.6356 -0.3039 H 1 UNL11 0.1292 75 H -4.5028 -1.8665 0.7916 H 1 UNL11 0.1432 76 H 8.4901 -1.6488 0.6395 H 1 UNL11 0.1376 77 H 8.0008 -2.4830 2.1702 H 1 UNL11 0.1347 78 H 8.7819 -3.4148 0.8414 H 1 UNL11 0.1552 79 H -5.8840 1.7748 -1.8670 H 1 UNL11 0.1590 80 H -7.0822 0.4846 -2.2089 H 1 UNL11 0.1443 81 H -7.4047 1.6727 -0.9296 H 1 UNL11 0.1679 @BOND 1 1 6 2 2 1 7 2 3 1 10 1 4 1 11 1 5 2 35 1 6 2 42 1 7 3 33 2 8 4 36 2 9 5 39 1 10 5 41 1 11 8 19 ar 12 8 21 ar 13 8 23 1 14 9 33 am 15 9 37 1 16 9 38 1 17 10 36 am 18 10 66 1 19 11 40 1 20 11 43 1 21 12 13 1 22 12 14 1 23 12 15 1 24 12 44 1 25 13 16 1 26 13 45 1 27 13 46 1 28 14 17 1 29 14 47 1 30 14 48 1 31 15 19 ar 32 15 20 ar 33 16 18 1 34 16 49 1 35 16 50 1 36 17 18 1 37 17 51 1 38 17 52 1 39 18 53 1 40 18 54 1 41 19 22 1 42 20 21 ar 43 20 24 ar 44 21 25 ar 45 22 26 ar 46 22 31 ar 47 23 27 1 48 23 55 1 49 23 56 1 50 24 30 ar 51 24 57 1 52 25 28 ar 53 25 58 1 54 26 29 1 55 26 32 ar 56 27 29 2 57 27 33 1 58 28 30 ar 59 28 36 1 60 29 59 1 61 30 60 1 62 31 34 ar 63 31 61 1 64 32 35 ar 65 32 62 1 66 34 35 ar 67 34 63 1 68 37 39 1 69 37 64 1 70 37 65 1 71 38 67 1 72 38 68 1 73 38 69 1 74 39 70 1 75 39 71 1 76 40 41 1 77 40 72 1 78 40 73 1 79 41 74 1 80 41 75 1 81 42 76 1 82 42 77 1 83 42 78 1 84 43 79 1 85 43 80 1 86 43 81 1