@MOLECULE (9s,10r,13r,14e,21r)-8-acetyl-13,16-dimethyl-12-oxa-8,16-diazapentacyclo[8.8.3.0~1,9~.0~2,7~.0~14,21~]henicosa-2,4,6,14-tetraen-19-one 53 57 0 0 0 SMALL GASTEIGER @ATOM 1 O 2.1770 2.4048 -0.9095 O.3 1 UNL1111 -0.4005 2 O -0.3395 -2.3392 1.5812 O.2 1 UNL1111 -0.4863 3 O -1.4864 3.3559 0.2379 O.2 1 UNL1111 -0.5418 4 N -1.8356 1.1629 -0.1227 N.am 1 UNL1111 -0.5186 5 N 2.4452 -2.0365 0.1553 N.pl3 1 UNL1111 -0.4102 6 C -0.3395 -0.7579 -0.1829 C.3 1 UNL1111 -0.0845 7 C -0.3780 0.8170 -0.2867 C.3 1 UNL1111 0.0975 8 C 0.5296 1.5717 0.6997 C.3 1 UNL1111 -0.1819 9 C 1.6624 0.6964 1.2813 C.3 1 UNL1111 -0.0884 10 C 1.0516 -0.4879 2.0210 C.3 1 UNL1111 -0.3723 11 C 0.1053 -1.2910 1.1816 C.2 1 UNL1111 0.5314 12 C 0.5351 -1.3398 -1.3085 C.3 1 UNL1111 -0.2869 13 C -1.7839 -1.1416 -0.3538 C.ar 1 UNL1111 -0.1059 14 C 1.1810 2.7881 0.0135 C.3 1 UNL1111 -0.0462 15 C 2.6865 0.3851 0.2253 C.2 1 UNL1111 -0.0868 16 C -2.6145 0.0040 -0.3275 C.ar 1 UNL1111 0.2086 17 C 3.2569 1.6732 -0.3340 C.3 1 UNL1111 0.1201 18 C 1.4630 -2.4857 -0.8711 C.3 1 UNL1111 -0.1088 19 C 3.0803 -0.8075 -0.2421 C.2 1 UNL1111 -0.0400 20 C -2.3202 -2.4044 -0.4957 C.ar 1 UNL1111 -0.0667 21 C -2.2713 2.4293 0.2515 C.2 1 UNL1111 0.6312 22 C -3.9822 -0.1179 -0.5414 C.ar 1 UNL1111 -0.2589 23 C 4.2316 1.5252 -1.5008 C.3 1 UNL1111 -0.4691 24 C -3.7052 -2.5324 -0.6664 C.ar 1 UNL1111 -0.2038 25 C -4.5141 -1.4033 -0.7026 C.ar 1 UNL1111 -0.0942 26 C 3.4419 -3.0934 0.4286 C.3 1 UNL1111 -0.2744 27 C -3.6880 2.6252 0.7024 C.3 1 UNL1111 -0.5242 28 H -0.0978 1.1135 -1.3356 H 1 UNL1111 0.1659 29 H -0.0879 1.9411 1.5574 H 1 UNL1111 0.1668 30 H 2.1971 1.3162 2.0598 H 1 UNL1111 0.1484 31 H 0.5204 -0.1471 2.9346 H 1 UNL1111 0.1667 32 H 1.8552 -1.1714 2.3868 H 1 UNL1111 0.1986 33 H 1.1453 -0.5316 -1.7668 H 1 UNL1111 0.1655 34 H -0.1173 -1.7068 -2.1280 H 1 UNL1111 0.1565 35 H 0.4739 3.3434 -0.6384 H 1 UNL1111 0.1771 36 H 1.6024 3.4879 0.7542 H 1 UNL1111 0.1191 37 H 3.7156 2.2841 0.4795 H 1 UNL1111 0.1215 38 H 0.8659 -3.3033 -0.4007 H 1 UNL1111 0.1625 39 H 1.9593 -2.9136 -1.7688 H 1 UNL1111 0.1178 40 H 3.9031 -0.9043 -0.9572 H 1 UNL1111 0.1344 41 H -1.6786 -3.2848 -0.4570 H 1 UNL1111 0.1669 42 H -4.6388 0.7400 -0.6087 H 1 UNL1111 0.1603 43 H 3.7749 0.9804 -2.3367 H 1 UNL1111 0.1598 44 H 4.5099 2.5146 -1.8904 H 1 UNL1111 0.1636 45 H 5.1477 1.0103 -1.1997 H 1 UNL1111 0.1465 46 H -4.1423 -3.5217 -0.7730 H 1 UNL1111 0.1524 47 H -5.5869 -1.5125 -0.8595 H 1 UNL1111 0.1460 48 H 4.1295 -2.7410 1.2156 H 1 UNL1111 0.1469 49 H 4.0373 -3.3994 -0.4438 H 1 UNL1111 0.1186 50 H 2.9157 -3.9783 0.8273 H 1 UNL1111 0.1538 51 H -3.7582 3.5453 1.3086 H 1 UNL1111 0.1871 52 H -4.0611 1.7970 1.3208 H 1 UNL1111 0.1800 53 H -4.3660 2.7619 -0.1520 H 1 UNL1111 0.1789 @BOND 1 1 14 1 2 1 17 1 3 2 11 2 4 3 21 2 5 4 7 1 6 4 16 1 7 4 21 am 8 5 18 1 9 5 19 1 10 5 26 1 11 6 7 1 12 6 11 1 13 6 12 1 14 6 13 1 15 7 8 1 16 7 28 1 17 8 9 1 18 8 14 1 19 8 29 1 20 9 10 1 21 9 15 1 22 9 30 1 23 10 11 1 24 10 31 1 25 10 32 1 26 12 18 1 27 12 33 1 28 12 34 1 29 13 16 ar 30 13 20 ar 31 14 35 1 32 14 36 1 33 15 17 1 34 15 19 2 35 16 22 ar 36 17 23 1 37 17 37 1 38 18 38 1 39 18 39 1 40 19 40 1 41 20 24 ar 42 20 41 1 43 21 27 1 44 22 25 ar 45 22 42 1 46 23 43 1 47 23 44 1 48 23 45 1 49 24 25 ar 50 24 46 1 51 25 47 1 52 26 48 1 53 26 49 1 54 26 50 1 55 27 51 1 56 27 52 1 57 27 53 1