@MOLECULE (1s,11r,13s,14s,15r)-14,15-dimethoxy-20-methyl-5,7,21-trioxa-20-azahexacyclo[11.4.3.1~11,14~.0~1,13~.0~2,10~.0~4,8~]henicosa-2(10),3,8-trien-16-one 50 55 0 0 0 SMALL GASTEIGER @ATOM 1 O 0.9307 -0.8747 1.3507 O.3 1 UNL1111111111 -0.3976 2 O 3.0740 -0.0576 1.2096 O.3 1 UNL1111111111 -0.4324 3 O 2.3544 -2.4842 -0.1680 O.3 1 UNL1111111111 -0.3180 4 O 0.3882 -2.1757 -2.0548 O.2 1 UNL1111111111 -0.4177 5 O -4.7443 0.0719 -0.9660 O.3 1 UNL1111111111 -0.3427 6 O -4.7680 -0.7982 1.2271 O.3 1 UNL1111111111 -0.3399 7 N 2.2529 2.0660 -0.4660 N.3 1 UNL1111111111 -0.4196 8 C 1.3159 1.1491 0.1812 C.3 1 UNL1111111111 0.1328 9 C 0.1109 1.0784 -0.8323 C.3 1 UNL1111111111 0.0606 10 C 1.8912 -0.2801 0.4944 C.3 1 UNL1111111111 0.4013 11 C 0.7650 1.4846 1.5949 C.3 1 UNL1111111111 -0.3747 12 C 0.0064 2.5558 -1.2906 C.3 1 UNL1111111111 -0.3028 13 C 0.0722 0.1421 1.8899 C.3 1 UNL1111111111 0.1213 14 C 0.4685 0.1976 -2.0405 C.3 1 UNL1111111111 -0.4071 15 C -1.1753 0.5923 -0.2149 C.ar 1 UNL1111111111 -0.0221 16 C 1.4386 3.1136 -1.1540 C.3 1 UNL1111111111 -0.1120 17 C 2.1253 -1.2029 -0.7136 C.3 1 UNL1111111111 -0.0775 18 C -1.2048 0.1044 1.0928 C.ar 1 UNL1111111111 -0.0604 19 C 0.9114 -1.1833 -1.6273 C.2 1 UNL1111111111 0.4499 20 C 3.2856 2.6487 0.4009 C.3 1 UNL1111111111 -0.2681 21 C -2.3475 0.6320 -0.9995 C.ar 1 UNL1111111111 -0.1989 22 C -2.3754 -0.4061 1.6826 C.ar 1 UNL1111111111 -0.1715 23 C -3.4890 0.1438 -0.4151 C.ar 1 UNL1111111111 0.1373 24 C -3.5034 -0.3745 0.9008 C.ar 1 UNL1111111111 0.1275 25 C 3.5916 -1.1839 1.8994 C.3 1 UNL1111111111 -0.1713 26 C 2.8993 -3.4064 -1.0981 C.3 1 UNL1111111111 -0.2198 27 C -5.5675 -0.5481 0.0492 C.3 1 UNL1111111111 0.1590 28 H 1.5778 1.6949 2.3078 H 1 UNL1111111111 0.1672 29 H 0.0862 2.3450 1.6067 H 1 UNL1111111111 0.1617 30 H -0.3734 2.6444 -2.3188 H 1 UNL1111111111 0.1499 31 H -0.7008 3.1123 -0.6525 H 1 UNL1111111111 0.1500 32 H -0.0376 -0.1110 2.9585 H 1 UNL1111111111 0.1522 33 H -0.3927 0.1238 -2.7362 H 1 UNL1111111111 0.1804 34 H 1.2894 0.6764 -2.6198 H 1 UNL1111111111 0.1841 35 H 1.4386 4.0821 -0.6210 H 1 UNL1111111111 0.1197 36 H 1.9098 3.2813 -2.1445 H 1 UNL1111111111 0.1430 37 H 3.0272 -0.8421 -1.2682 H 1 UNL1111111111 0.1659 38 H 3.9171 1.8379 0.8123 H 1 UNL1111111111 0.1752 39 H 2.9002 3.2446 1.2408 H 1 UNL1111111111 0.1187 40 H 3.9439 3.2858 -0.2134 H 1 UNL1111111111 0.1418 41 H -2.3437 1.0205 -2.0119 H 1 UNL1111111111 0.1743 42 H -2.3781 -0.8079 2.6913 H 1 UNL1111111111 0.1796 43 H 4.2460 -0.7353 2.6538 H 1 UNL1111111111 0.1291 44 H 4.1595 -1.8029 1.1961 H 1 UNL1111111111 0.1326 45 H 2.7998 -1.7761 2.3721 H 1 UNL1111111111 0.1489 46 H 3.0249 -4.3081 -0.4852 H 1 UNL1111111111 0.1448 47 H 3.8626 -3.0628 -1.4822 H 1 UNL1111111111 0.1154 48 H 2.1944 -3.6094 -1.9126 H 1 UNL1111111111 0.1492 49 H -5.9037 -1.5190 -0.3412 H 1 UNL1111111111 0.1430 50 H -6.3557 0.1650 0.3243 H 1 UNL1111111111 0.1376 @BOND 1 1 10 1 2 1 13 1 3 2 10 1 4 2 25 1 5 3 17 1 6 3 26 1 7 4 19 2 8 5 23 1 9 5 27 1 10 6 24 1 11 6 27 1 12 7 8 1 13 7 16 1 14 7 20 1 15 8 9 1 16 8 10 1 17 8 11 1 18 9 12 1 19 9 14 1 20 9 15 1 21 10 17 1 22 11 13 1 23 11 28 1 24 11 29 1 25 12 16 1 26 12 30 1 27 12 31 1 28 13 18 1 29 13 32 1 30 14 19 1 31 14 33 1 32 14 34 1 33 15 18 ar 34 15 21 ar 35 16 35 1 36 16 36 1 37 17 19 1 38 17 37 1 39 18 22 ar 40 20 38 1 41 20 39 1 42 20 40 1 43 21 23 ar 44 21 41 1 45 22 24 ar 46 22 42 1 47 23 24 ar 48 25 43 1 49 25 44 1 50 25 45 1 51 26 46 1 52 26 47 1 53 26 48 1 54 27 49 1 55 27 50 1