@MOLECULE (5r,6e,8e,10e,13r,14s,15s,16e)-13,15-dihydroxy-5-methoxy-14,16-dimethyl-2-azabicyclo[18.3.1]tetracosa-1(23),6,8,10,16,20-hexaene-3,22,24-trione 66 67 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 C -3.5366 -0.9908 -0.3375 C.3 1 UNL1 0.1409 2 C -3.9697 0.4098 -0.8328 C.3 1 UNL1 -0.2116 3 C -4.1974 1.3371 0.3777 C.3 1 UNL1 0.1611 4 C 4.2368 2.2368 0.4393 C.3 1 UNL1 0.1284 5 C -1.1376 -0.1499 -0.1848 C.3 1 UNL1 -0.4609 6 C -5.2197 0.2710 -1.7007 C.3 1 UNL1 -0.4464 7 C 5.3814 2.3405 -1.6512 C.3 1 UNL1 -0.1951 8 H -4.9204 -0.8652 1.0767 H 1 UNL1 0.3445 9 H -6.1597 1.0176 0.5273 H 1 UNL1 0.3241 10 H 3.5816 0.0758 -1.1473 H 1 UNL1 0.3392 11 O 2.8364 -3.0442 1.0334 O.2 1 UNL1 -0.3479 12 O 0.2246 -2.9266 -3.1706 O.2 1 UNL1 -0.4271 13 O 2.9187 -0.5711 1.8668 O.2 1 UNL1 -0.4772 14 O -4.5493 -1.5460 0.4711 O.3 1 UNL1 -0.5792 15 O -5.3599 0.9683 1.0887 O.3 1 UNL1 -0.5717 16 O 4.1642 2.0918 -0.9753 O.3 1 UNL1 -0.4142 17 C -0.0633 -3.2958 1.6688 C.3 1 UNL1 -0.2684 18 C -0.7780 -2.0300 2.1986 C.3 1 UNL1 -0.2565 19 C 4.6534 0.8809 1.0478 C.3 1 UNL1 -0.4162 20 C -4.2642 2.8288 -0.0181 C.3 1 UNL1 -0.3523 21 C 1.9749 -2.5360 0.3707 C.2 1 UNL1 0.4178 22 C 0.5953 -2.5878 -2.0722 C.2 1 UNL1 0.4802 23 C 3.5311 -0.1238 0.9292 C.2 1 UNL1 0.6104 24 C -2.2105 -1.0037 0.3953 C.2 1 UNL1 -0.0590 25 C 1.6583 -1.5864 -1.8704 C.2 1 UNL1 -0.4147 26 C -0.0548 -3.0949 -0.8343 C.2 1 UNL1 -0.2554 27 C -2.0516 -1.8135 1.4491 C.2 1 UNL1 -0.1693 28 C 2.8567 2.5904 0.9001 C.2 1 UNL1 -0.2294 29 C -2.9215 3.2196 -0.5392 C.2 1 UNL1 -0.1251 30 C 1.8887 3.0414 0.0917 C.2 1 UNL1 -0.1087 31 C -1.8733 3.4012 0.2775 C.2 1 UNL1 -0.1859 32 C 0.5292 3.2005 0.5807 C.2 1 UNL1 -0.1733 33 C -0.5100 3.4946 -0.2204 C.2 1 UNL1 -0.1291 34 C 2.2783 -1.4806 -0.6751 C.2 1 UNL1 0.1659 35 C 0.5585 -2.9980 0.3519 C.2 1 UNL1 -0.0291 36 N 3.2377 -0.5198 -0.3900 N.am 1 UNL1 -0.5473 37 H 1.8744 -0.9495 -2.7214 H 1 UNL1 0.1869 38 H -1.0629 -3.4890 -0.9572 H 1 UNL1 0.1905 39 H 0.7039 -3.6259 2.4028 H 1 UNL1 0.1649 40 H -0.7877 -4.1331 1.5947 H 1 UNL1 0.1614 41 H -3.4886 -1.7113 -1.1931 H 1 UNL1 0.1492 42 H -0.9855 -2.1538 3.2807 H 1 UNL1 0.1447 43 H -0.0983 -1.1557 2.1378 H 1 UNL1 0.1551 44 H -3.1472 0.8370 -1.4574 H 1 UNL1 0.1597 45 H 5.5717 0.4984 0.5603 H 1 UNL1 0.1789 46 H 4.9126 1.0052 2.1214 H 1 UNL1 0.1895 47 H -2.8904 -2.4158 1.8121 H 1 UNL1 0.1640 48 H -3.4087 1.1793 1.1572 H 1 UNL1 0.1555 49 H 4.9678 3.0334 0.7091 H 1 UNL1 0.1376 50 H -5.0638 3.0053 -0.7595 H 1 UNL1 0.1510 51 H -4.5525 3.4257 0.8723 H 1 UNL1 0.1685 52 H 2.6838 2.4112 1.9632 H 1 UNL1 0.1681 53 H -0.1429 -0.3803 0.2241 H 1 UNL1 0.1624 54 H -1.0595 -0.2728 -1.2743 H 1 UNL1 0.1567 55 H -1.3113 0.9172 0.0192 H 1 UNL1 0.1596 56 H -5.9899 -0.3361 -1.2037 H 1 UNL1 0.1603 57 H -5.6538 1.2415 -1.9583 H 1 UNL1 0.1379 58 H -4.9867 -0.2403 -2.6441 H 1 UNL1 0.1538 59 H -2.8317 3.2730 -1.6222 H 1 UNL1 0.1475 60 H 2.0688 3.2474 -0.9657 H 1 UNL1 0.1620 61 H -1.9937 3.3964 1.3635 H 1 UNL1 0.1587 62 H 0.3773 2.9987 1.6451 H 1 UNL1 0.1587 63 H -0.3789 3.7344 -1.2751 H 1 UNL1 0.1508 64 H 6.1658 1.6476 -1.3331 H 1 UNL1 0.1246 65 H 5.1189 2.1657 -2.7036 H 1 UNL1 0.1507 66 H 5.6971 3.3798 -1.5127 H 1 UNL1 0.1294 @BOND 1 12 22 2 2 37 25 1 3 65 7 1 4 58 6 1 5 22 25 1 6 22 26 1 7 57 6 1 8 25 34 2 9 6 56 1 10 6 2 1 11 7 66 1 12 7 64 1 13 7 16 1 14 59 29 1 15 44 2 1 16 63 33 1 17 54 5 1 18 41 1 1 19 10 36 1 20 16 4 1 21 60 30 1 22 38 26 1 23 26 35 2 24 2 1 1 25 2 3 1 26 50 20 1 27 34 36 1 28 34 21 1 29 29 20 1 30 29 31 2 31 36 23 am 32 1 24 1 33 1 14 1 34 33 31 1 35 33 32 2 36 5 55 1 37 5 53 1 38 5 24 1 39 20 3 1 40 20 51 1 41 30 32 1 42 30 28 2 43 31 61 1 44 35 21 1 45 35 17 1 46 21 11 2 47 3 15 1 48 3 48 1 49 24 27 2 50 4 49 1 51 4 28 1 52 4 19 1 53 14 8 1 54 9 15 1 55 45 19 1 56 32 62 1 57 28 52 1 58 23 19 1 59 23 13 2 60 19 46 1 61 27 47 1 62 27 18 1 63 40 17 1 64 17 18 1 65 17 39 1 66 43 18 1 67 18 42 1