@MOLECULE (1r,4s,7r,8s,18s)-4-benzyl-7-methyl-18-[2-(methylsulfanyl)ethyl]-6-oxa-13,20-dithia-3,10,17,22,23,24-hexaazatetracyclo[17.2.1.1~5,8~.1~12,15~]tetracosa-5(24),12(23),14,19(22)-tetraene-2,9,16-trione 69 73 0 0 0 SMALL GASTEIGER @ATOM 1 S 2.1150 -1.4952 1.5066 S.3 1 UNL111111111 -0.0196 2 S 6.6580 -3.0084 0.6796 S.3 1 UNL111111111 -0.0137 3 S 0.5349 4.4176 -2.3260 S.2 1 UNL111111111 0.1803 4 O -2.5833 0.2477 2.4108 O.2 1 UNL111111111 -0.4082 5 O -0.8258 -0.5075 -1.1500 O.2 1 UNL111111111 -0.4391 6 O 0.1481 2.8232 2.6430 O.2 1 UNL111111111 -0.5071 7 O 2.8087 0.5169 -3.3337 O.2 1 UNL111111111 -0.4915 8 N -2.1650 -1.5976 0.3016 N.am 1 UNL111111111 -0.6291 9 N -2.5807 1.8519 0.8181 N.2 1 UNL111111111 -0.4769 10 N 1.2785 -2.1629 -0.8915 N.2 1 UNL111111111 -0.3499 11 N 3.1532 0.4539 -1.0814 N.am 1 UNL111111111 -0.5903 12 N -0.6218 4.1109 0.9311 N.am 1 UNL111111111 -0.5667 13 N 1.8600 2.8395 -0.7633 N.ar 1 UNL111111111 -0.3462 14 C -3.1804 -0.5484 0.2094 C.3 1 UNL111111111 0.1174 15 C -2.2053 1.4395 3.1451 C.3 1 UNL111111111 0.1149 16 C -2.1713 2.5544 2.0471 C.3 1 UNL111111111 -0.1066 17 C -2.7753 0.6051 1.0989 C.2 1 UNL111111111 0.3498 18 C -4.5505 -1.0698 0.6969 C.3 1 UNL111111111 -0.3157 19 C 0.1221 -2.4662 -0.0482 C.3 1 UNL111111111 -0.0379 20 C 3.4340 -0.9842 -1.0375 C.3 1 UNL111111111 0.0991 21 C -0.9633 -1.4229 -0.3811 C.2 1 UNL111111111 0.5597 22 C 0.4929 -2.3610 1.4507 C.3 1 UNL111111111 -0.3740 23 C 2.2685 -1.6130 -0.3004 C.2 1 UNL111111111 0.1154 24 C -3.2652 1.6721 4.1982 C.3 1 UNL111111111 -0.4838 25 C -0.7549 3.1267 1.8941 C.2 1 UNL111111111 0.5699 26 C 4.8005 -1.2039 -0.3566 C.3 1 UNL111111111 -0.2924 27 C -5.1878 -1.9030 -0.3699 C.ar 1 UNL111111111 0.0110 28 C 5.1506 -2.6846 -0.3134 C.3 1 UNL111111111 -0.3246 29 C -6.0517 -1.3060 -1.2897 C.ar 1 UNL111111111 -0.1651 30 C -4.8948 -3.2648 -0.4703 C.ar 1 UNL111111111 -0.1534 31 C 0.7234 4.5732 0.5669 C.3 1 UNL111111111 -0.0676 32 C 2.6671 1.0305 -2.2459 C.2 1 UNL111111111 0.6080 33 C 1.1279 3.9197 -0.7132 C.ar 1 UNL111111111 0.0372 34 C 1.9645 2.3282 -2.0584 C.ar 1 UNL111111111 -0.0095 35 C -6.5973 -2.0623 -2.3240 C.ar 1 UNL111111111 -0.1364 36 C -5.4382 -4.0162 -1.5100 C.ar 1 UNL111111111 -0.1407 37 C -6.2844 -3.4157 -2.4404 C.ar 1 UNL111111111 -0.1568 38 C 1.3145 3.0375 -3.0315 C.ar 1 UNL111111111 -0.2385 39 C 6.0343 -2.7940 2.3795 C.3 1 UNL111111111 -0.4940 40 H -3.2441 -0.1911 -0.8637 H 1 UNL111111111 0.2089 41 H -1.2004 1.2065 3.5640 H 1 UNL111111111 0.1790 42 H -2.8865 3.3854 2.2600 H 1 UNL111111111 0.1781 43 H -5.1962 -0.2068 0.9658 H 1 UNL111111111 0.1664 44 H -4.4364 -1.6353 1.6452 H 1 UNL111111111 0.1653 45 H -0.2445 -3.4907 -0.3182 H 1 UNL111111111 0.1822 46 H -2.2864 -2.2869 1.0223 H 1 UNL111111111 0.3130 47 H 3.4639 -1.3943 -2.0941 H 1 UNL111111111 0.2046 48 H -0.2400 -1.7848 2.0417 H 1 UNL111111111 0.1788 49 H 0.5802 -3.3521 1.9210 H 1 UNL111111111 0.1683 50 H -4.2639 1.8068 3.7632 H 1 UNL111111111 0.1603 51 H -3.0412 2.5603 4.8015 H 1 UNL111111111 0.1631 52 H -3.3283 0.8115 4.8788 H 1 UNL111111111 0.1667 53 H 4.8132 -0.7419 0.6490 H 1 UNL111111111 0.1586 54 H 5.5713 -0.6390 -0.9304 H 1 UNL111111111 0.1749 55 H 2.9869 0.9296 -0.1927 H 1 UNL111111111 0.3402 56 H 4.3131 -3.2930 0.0765 H 1 UNL111111111 0.1592 57 H 5.3606 -3.0711 -1.3293 H 1 UNL111111111 0.1678 58 H -1.3451 4.2074 0.2239 H 1 UNL111111111 0.3238 59 H -6.2916 -0.2475 -1.2088 H 1 UNL111111111 0.1540 60 H -4.2342 -3.7378 0.2511 H 1 UNL111111111 0.1482 61 H 1.4566 4.3092 1.3875 H 1 UNL111111111 0.2088 62 H 0.7330 5.6842 0.4964 H 1 UNL111111111 0.1571 63 H -7.2644 -1.5945 -3.0454 H 1 UNL111111111 0.1479 64 H -5.1938 -5.0724 -1.6014 H 1 UNL111111111 0.1471 65 H -6.7001 -4.0022 -3.2567 H 1 UNL111111111 0.1491 66 H 1.2621 2.7826 -4.0808 H 1 UNL111111111 0.2083 67 H 6.8545 -2.9916 3.0790 H 1 UNL111111111 0.1655 68 H 5.2199 -3.4917 2.6019 H 1 UNL111111111 0.1622 69 H 5.6710 -1.7775 2.5580 H 1 UNL111111111 0.1652 @BOND 1 1 22 1 2 1 23 1 3 2 28 1 4 2 39 1 5 3 33 ar 6 3 38 ar 7 4 15 1 8 4 17 1 9 5 21 2 10 6 25 2 11 7 32 2 12 8 14 1 13 8 21 am 14 8 46 1 15 9 16 1 16 9 17 2 17 10 19 1 18 10 23 2 19 11 20 1 20 11 32 am 21 11 55 1 22 12 25 am 23 12 31 1 24 12 58 1 25 13 33 ar 26 13 34 ar 27 14 17 1 28 14 18 1 29 14 40 1 30 15 16 1 31 15 24 1 32 15 41 1 33 16 25 1 34 16 42 1 35 18 27 1 36 18 43 1 37 18 44 1 38 19 21 1 39 19 22 1 40 19 45 1 41 20 23 1 42 20 26 1 43 20 47 1 44 22 48 1 45 22 49 1 46 24 50 1 47 24 51 1 48 24 52 1 49 26 28 1 50 26 53 1 51 26 54 1 52 27 29 ar 53 27 30 ar 54 28 56 1 55 28 57 1 56 29 35 ar 57 29 59 1 58 30 36 ar 59 30 60 1 60 31 33 1 61 31 61 1 62 31 62 1 63 32 34 1 64 34 38 ar 65 35 37 ar 66 35 63 1 67 36 37 ar 68 36 64 1 69 37 65 1 70 38 66 1 71 39 67 1 72 39 68 1 73 39 69 1