@MOLECULE methyl (2s,3r,5s)-10-[(2r,3e,5e,7z)-7-hydroxy-4-methyl-7-(1-methyl-2,4-dioxo-3-pyrrolidinylidene)-3,5-heptadien-2-yl]-3,5,9-trimethyl-7-oxo-4,11,12-trioxatricyclo[6.3.1.0~1,5~]dodecane-2-carboxylate (non-preferred name) 72 75 0 0 0 SMALL USER_CHARGES @ATOM 1 O 3.6494 0.0992 -0.4439 O.3 1 UNL11 -0.3974 2 O 2.3776 0.9174 1.2029 O.3 1 UNL11 -0.4821 3 O 3.1688 -2.5003 1.4233 O.3 1 UNL11 -0.4179 4 O 6.8815 0.0313 -0.1544 O.2 1 UNL11 -0.4190 5 O 2.9059 -2.1071 -1.6519 O.3 1 UNL11 -0.3648 6 O 0.9562 -1.1297 -2.1877 O.2 1 UNL11 -0.5203 7 O -4.2276 0.7592 1.8433 O.2 1 UNL11 -0.4775 8 O -5.4630 -0.1858 -2.2708 O.2 1 UNL11 -0.4603 9 O -6.7873 0.0776 2.2209 O.2 1 UNL11 -0.5987 10 N -7.9269 -0.3604 0.2555 N.am 1 UNL11 -0.4612 11 C 2.8133 -0.2900 0.5944 C.3 1 UNL11 0.3821 12 C 3.7410 -1.2066 1.5131 C.3 1 UNL11 0.2412 13 C 1.6581 -1.1709 0.1237 C.3 1 UNL11 -0.3258 14 C 4.6381 0.9300 0.2514 C.3 1 UNL11 -0.0716 15 C 4.0793 2.2737 -0.1791 C.3 1 UNL11 -0.1122 16 C 1.7984 -2.4274 1.0189 C.3 1 UNL11 0.1648 17 C 5.1699 -1.3471 0.8830 C.3 1 UNL11 -0.4163 18 C 2.6149 2.1388 0.4592 C.3 1 UNL11 0.1272 19 C 5.7560 -0.0869 0.2264 C.2 1 UNL11 0.4875 20 C 3.7556 -0.7895 2.9717 C.3 1 UNL11 -0.4881 21 C 1.5020 2.2641 -0.5947 C.3 1 UNL11 -0.1501 22 C 1.7647 -1.4468 -1.3520 C.2 1 UNL11 0.6149 23 C 4.8355 3.4606 0.3875 C.3 1 UNL11 -0.4595 24 C 1.4971 -3.7511 0.3423 C.3 1 UNL11 -0.4789 25 C 1.4783 3.6768 -1.1869 C.3 1 UNL11 -0.4409 26 C 0.1809 1.9838 0.0528 C.2 1 UNL11 -0.1382 27 C -0.8980 1.4739 -0.5697 C.2 1 UNL11 -0.0333 28 C 3.1493 -2.3185 -3.0409 C.3 1 UNL11 -0.1801 29 C -0.9383 1.1182 -2.0132 C.3 1 UNL11 -0.4476 30 C -2.1090 1.2466 0.2173 C.2 1 UNL11 -0.0136 31 C -3.2495 0.7295 -0.2750 C.2 1 UNL11 -0.2894 32 C -4.4258 0.5225 0.5460 C.2 1 UNL11 0.5116 33 C -5.6562 0.1195 0.1021 C.2 1 UNL11 -0.5756 34 C -6.0883 -0.1993 -1.2456 C.2 1 UNL11 0.5206 35 C -6.8003 -0.0611 1.0049 C.2 1 UNL11 0.6330 36 C -7.5809 -0.5929 -1.1587 C.3 1 UNL11 -0.1947 37 C -9.1316 -0.9421 0.8215 C.3 1 UNL11 -0.2170 38 H 0.6776 -0.6558 0.3106 H 1 UNL11 0.2120 39 H 4.5377 1.0236 1.3994 H 1 UNL11 0.1754 40 H 4.0090 2.3516 -1.2861 H 1 UNL11 0.1651 41 H 1.1987 -2.2941 1.9495 H 1 UNL11 0.1318 42 H 5.1101 -2.1365 0.0958 H 1 UNL11 0.2080 43 H 5.8728 -1.7386 1.6392 H 1 UNL11 0.1802 44 H 2.4960 2.8703 1.2873 H 1 UNL11 0.1445 45 H 2.7560 -0.4770 3.3064 H 1 UNL11 0.1692 46 H 4.4387 0.0424 3.1692 H 1 UNL11 0.1523 47 H 4.0602 -1.6316 3.6102 H 1 UNL11 0.1691 48 H 1.7005 1.5190 -1.4107 H 1 UNL11 0.1735 49 H 5.8615 3.4941 -0.0077 H 1 UNL11 0.1641 50 H 4.3547 4.4092 0.1186 H 1 UNL11 0.1521 51 H 4.9132 3.4303 1.4805 H 1 UNL11 0.1482 52 H 2.2582 -3.9967 -0.4151 H 1 UNL11 0.1785 53 H 0.5169 -3.7439 -0.1476 H 1 UNL11 0.1612 54 H 1.5092 -4.5748 1.0686 H 1 UNL11 0.1628 55 H 0.6680 3.7753 -1.9219 H 1 UNL11 0.1582 56 H 2.4155 3.9182 -1.6999 H 1 UNL11 0.1479 57 H 1.3106 4.4377 -0.4167 H 1 UNL11 0.1461 58 H 0.1455 2.2283 1.1176 H 1 UNL11 0.1523 59 H 4.0755 -2.9054 -3.0381 H 1 UNL11 0.1481 60 H 3.2919 -1.3552 -3.5432 H 1 UNL11 0.1436 61 H 2.3230 -2.8719 -3.4992 H 1 UNL11 0.1418 62 H -1.7115 1.6839 -2.5515 H 1 UNL11 0.1581 63 H -1.1523 0.0433 -2.1561 H 1 UNL11 0.1819 64 H 0.0133 1.2928 -2.5344 H 1 UNL11 0.1620 65 H -2.0444 1.5275 1.2786 H 1 UNL11 0.1615 66 H -3.3643 0.4390 -1.3283 H 1 UNL11 0.2096 67 H -5.0840 0.5959 2.3952 H 1 UNL11 0.3995 68 H -8.1984 0.0533 -1.8167 H 1 UNL11 0.1733 69 H -7.7329 -1.6439 -1.4722 H 1 UNL11 0.1616 70 H -10.0224 -0.5293 0.3148 H 1 UNL11 0.1470 71 H -9.1997 -0.6809 1.8980 H 1 UNL11 0.1740 72 H -9.1489 -2.0422 0.7353 H 1 UNL11 0.1343 @BOND 1 60 28 1 2 61 28 1 3 28 59 1 4 28 5 1 5 62 29 1 6 64 29 1 7 8 34 2 8 6 22 2 9 63 29 1 10 29 27 1 11 55 25 1 12 68 36 1 13 56 25 1 14 5 22 1 15 69 36 1 16 48 21 1 17 22 13 1 18 66 31 1 19 40 15 1 20 34 36 1 21 34 33 1 22 25 21 1 23 25 57 1 24 36 10 1 25 21 26 1 26 21 18 1 27 27 26 2 28 27 30 1 29 1 14 1 30 1 11 1 31 52 24 1 32 31 30 2 33 31 32 1 34 15 14 1 35 15 23 1 36 15 18 1 37 4 19 2 38 53 24 1 39 49 23 1 40 26 58 1 41 42 17 1 42 33 32 2 43 33 35 1 44 50 23 1 45 13 38 1 46 13 11 1 47 13 16 1 48 30 65 1 49 19 14 1 50 19 17 1 51 14 39 1 52 10 37 1 53 10 35 am 54 70 37 1 55 24 16 1 56 24 54 1 57 23 51 1 58 18 2 1 59 18 44 1 60 32 7 1 61 11 2 1 62 11 12 1 63 72 37 1 64 37 71 1 65 17 12 1 66 17 43 1 67 35 9 2 68 16 3 1 69 16 41 1 70 3 12 1 71 12 20 1 72 7 67 1 73 20 46 1 74 20 45 1 75 20 47 1