@MOLECULE (1r,7s,8r,11r)-7-hydroxy-11-(hydroxymethyl)-15-methyl-12,13-dithia-9,15-diazatetracyclo[9.2.2.0~1,9~.0~3,8~]pentadeca-3,5-diene-10,14-dione 35 38 0 0 0 SMALL USER_CHARGES @ATOM 1 S 0.5482 1.3190 1.7743 S.3 1 UNL111111 -0.0375 2 S 1.9197 -0.2295 1.6939 S.3 1 UNL111111 -0.0065 3 O -2.4109 -2.5647 -0.4635 O.3 1 UNL111111 -0.5655 4 O 0.2496 -2.2279 -0.6996 O.2 1 UNL111111 -0.5333 5 O 1.2862 2.7657 -1.3340 O.2 1 UNL111111 -0.4484 6 O 2.7214 -2.8105 0.1976 O.3 1 UNL111111 -0.5160 7 N -0.4566 -0.0953 -0.3334 N.am 1 UNL111111 -0.5031 8 N 2.1323 0.6902 -0.8985 N.am 1 UNL111111 -0.4878 9 C -0.0719 1.2696 0.0015 C.3 1 UNL111111 0.1002 10 C -1.8947 -0.2088 -0.6392 C.3 1 UNL111111 0.0325 11 C -1.3166 2.1402 -0.2063 C.3 1 UNL111111 -0.2839 12 C 1.9339 -0.5422 -0.1729 C.3 1 UNL111111 0.0521 13 C -2.4397 1.1556 -0.2693 C.2 1 UNL111111 -0.0388 14 C 0.5036 -1.0645 -0.4477 C.2 1 UNL111111 0.5607 15 C 1.1618 1.6890 -0.8082 C.2 1 UNL111111 0.5253 16 C -2.6230 -1.3212 0.1582 C.3 1 UNL111111 0.1309 17 C 2.9756 -1.6325 -0.5097 C.3 1 UNL111111 -0.0004 18 C -3.7329 1.3285 0.0245 C.2 1 UNL111111 -0.1492 19 C -4.1086 -1.0757 0.1159 C.2 1 UNL111111 -0.1374 20 C 3.4596 1.0335 -1.4121 C.3 1 UNL111111 -0.2223 21 C -4.6148 0.1647 0.0552 C.2 1 UNL111111 -0.1813 22 H -2.0227 -0.4121 -1.7398 H 1 UNL111111 0.1811 23 H -1.2319 2.7284 -1.1515 H 1 UNL111111 0.1982 24 H -1.4619 2.9042 0.5833 H 1 UNL111111 0.1863 25 H -2.2573 -1.3816 1.2123 H 1 UNL111111 0.1497 26 H 4.0015 -1.3530 -0.1942 H 1 UNL111111 0.1622 27 H 2.9629 -1.8418 -1.6004 H 1 UNL111111 0.1467 28 H -4.1625 2.2951 0.2727 H 1 UNL111111 0.1612 29 H -4.7165 -1.9787 0.1477 H 1 UNL111111 0.1750 30 H 4.2221 1.0243 -0.6134 H 1 UNL111111 0.1516 31 H 3.4461 2.0552 -1.8480 H 1 UNL111111 0.1832 32 H 3.7530 0.3385 -2.2184 H 1 UNL111111 0.1524 33 H -5.6853 0.3555 0.0454 H 1 UNL111111 0.1584 34 H -1.4407 -2.7070 -0.5929 H 1 UNL111111 0.3555 35 H 1.8144 -3.1496 -0.0220 H 1 UNL111111 0.3483 @BOND 1 32 20 1 2 31 20 1 3 22 10 1 4 27 17 1 5 20 8 1 6 20 30 1 7 5 15 2 8 23 11 1 9 8 15 am 10 8 12 1 11 15 9 1 12 4 14 2 13 10 7 1 14 10 13 1 15 10 16 1 16 34 3 1 17 17 26 1 18 17 12 1 19 17 6 1 20 3 16 1 21 14 7 am 22 14 12 1 23 7 9 1 24 13 11 1 25 13 18 2 26 11 9 1 27 11 24 1 28 12 2 1 29 35 6 1 30 9 1 1 31 18 21 1 32 18 28 1 33 33 21 1 34 21 19 2 35 19 29 1 36 19 16 1 37 16 25 1 38 2 1 1