@MOLECULE (1s,2s,3r,11r,14s)-2-hydroxy-14-[(1r)-1-hydroxyethyl]-3-(1h-indol-3-yl)-18-methyl-15,16-dithia-10,12,18-triazapentacyclo[12.2.2.0~1,12~.0~3,11~.0~4,9~]octadeca-4,6,8-triene-13,17-dione 53 59 0 0 0 SMALL GASTEIGER @ATOM 1 S 1.4739 -0.6651 1.9641 S.3 1 UNL111111 -0.0223 2 S 3.3811 -0.8756 1.2081 S.3 1 UNL111111 -0.0534 3 O -1.1585 1.9830 0.4831 O.3 1 UNL111111 -0.5242 4 O 2.5880 -0.4255 -2.2259 O.2 1 UNL111111 -0.5070 5 O 1.1947 2.8051 1.4988 O.2 1 UNL111111 -0.4947 6 O 4.6762 1.3951 -1.8951 O.3 1 UNL111111 -0.5506 7 N 1.0389 0.0775 -0.6443 N.am 1 UNL111111 -0.5528 8 N -0.0904 -1.8603 -1.6070 N.pl3 1 UNL111111 -0.5393 9 N 2.9367 1.7214 0.5063 N.am 1 UNL111111 -0.4631 10 N -4.3003 0.4718 -2.3385 N.ar 1 UNL111111 -0.3203 11 C -1.3386 -0.2548 -0.2397 C.3 1 UNL111111 0.0320 12 C -0.1799 -0.4167 -1.3321 C.3 1 UNL111111 0.2725 13 C 0.7993 0.5501 0.6988 C.3 1 UNL111111 0.0230 14 C -0.7431 0.6979 0.8371 C.3 1 UNL111111 0.1594 15 C -1.4702 -1.6697 0.2688 C.ar 1 UNL111111 -0.1406 16 C 3.3853 0.4932 -0.1036 C.3 1 UNL111111 0.0440 17 C -2.6193 0.2110 -0.8100 C.ar 1 UNL111111 -0.1072 18 C 2.3304 0.0014 -1.1228 C.2 1 UNL111111 0.5568 19 C 1.6277 1.8156 0.9492 C.2 1 UNL111111 0.5489 20 C -0.6932 -2.5477 -0.5296 C.ar 1 UNL111111 0.2073 21 C 4.7943 0.5714 -0.7656 C.3 1 UNL111111 0.1860 22 C -3.6963 0.8816 -0.1377 C.ar 1 UNL111111 -0.0037 23 C -2.2250 -2.1619 1.3121 C.ar 1 UNL111111 -0.0756 24 C -3.0210 -0.0232 -2.1265 C.ar 1 UNL111111 -0.0284 25 C -0.6501 -3.9112 -0.2722 C.ar 1 UNL111111 -0.2540 26 C 3.8195 2.8849 0.6155 C.3 1 UNL111111 -0.2213 27 C -4.7523 1.0227 -1.1517 C.ar 1 UNL111111 0.0432 28 C -2.1889 -3.5374 1.5756 C.ar 1 UNL111111 -0.2118 29 C 5.3623 -0.7856 -1.1576 C.3 1 UNL111111 -0.5067 30 C -1.4138 -4.3924 0.7958 C.ar 1 UNL111111 -0.0804 31 C -3.8847 1.3592 1.1890 C.ar 1 UNL111111 -0.1318 32 C -5.9249 1.6260 -0.7504 C.ar 1 UNL111111 -0.0552 33 C -5.1078 1.9244 1.4022 C.ar 1 UNL111111 -0.0258 34 C -6.0565 2.0355 0.4840 C.ar 1 UNL111111 -0.0430 35 H -0.3304 0.1575 -2.2772 H 1 UNL111111 0.1800 36 H -1.1108 0.4732 1.8618 H 1 UNL111111 0.1548 37 H 0.7866 -2.1923 -1.9876 H 1 UNL111111 0.3167 38 H 5.5096 1.1342 -0.1161 H 1 UNL111111 0.1604 39 H -0.6215 2.6702 0.9543 H 1 UNL111111 0.3529 40 H -2.8435 -1.5004 1.9165 H 1 UNL111111 0.1586 41 H -2.4848 -0.5279 -2.9112 H 1 UNL111111 0.1782 42 H -0.0541 -4.5832 -0.8790 H 1 UNL111111 0.1621 43 H 4.6493 2.6843 1.3149 H 1 UNL111111 0.1487 44 H 3.2544 3.7566 1.0059 H 1 UNL111111 0.1809 45 H 4.2249 3.1667 -0.3769 H 1 UNL111111 0.1741 46 H -4.8143 0.4393 -3.1885 H 1 UNL111111 0.3198 47 H -2.7754 -3.9384 2.3980 H 1 UNL111111 0.1533 48 H 4.6314 -1.4287 -1.6684 H 1 UNL111111 0.1794 49 H 6.1930 -0.6440 -1.8684 H 1 UNL111111 0.1764 50 H 5.7718 -1.3439 -0.3081 H 1 UNL111111 0.1667 51 H -1.3991 -5.4590 1.0193 H 1 UNL111111 0.1463 52 H -3.1051 1.2982 1.9380 H 1 UNL111111 0.1825 53 H 4.1465 0.9470 -2.5999 H 1 UNL111111 0.3485 @BOND 1 46 10 1 2 32 27 ar 3 32 34 ar 4 10 27 ar 5 10 24 ar 6 27 22 ar 7 34 33 ar 8 41 24 1 9 24 17 ar 10 45 26 1 11 35 12 1 12 53 6 1 13 44 26 1 14 39 3 1 15 6 21 1 16 33 31 ar 17 22 17 ar 18 22 31 ar 19 3 14 1 20 17 11 1 21 26 9 1 22 26 43 1 23 31 52 1 24 5 19 2 25 4 18 2 26 12 7 1 27 12 11 1 28 12 8 1 29 19 9 am 30 19 13 1 31 9 16 1 32 18 7 am 33 18 16 1 34 7 13 1 35 11 14 1 36 11 15 1 37 14 13 1 38 14 36 1 39 21 38 1 40 21 16 1 41 21 29 1 42 16 2 1 43 13 1 1 44 8 37 1 45 8 20 1 46 49 29 1 47 29 48 1 48 29 50 1 49 15 20 ar 50 15 23 ar 51 20 25 ar 52 40 23 1 53 1 2 1 54 23 28 ar 55 25 42 1 56 25 30 ar 57 28 30 ar 58 28 47 1 59 30 51 1