@MOLECULE 5,15,19,23-tetrahydroxy-13,20-dimethyl-8,12,21-trioxahexacyclo[17.2.2.0~2,18~.0~4,16~.0~6,14~.0~7,11~]tricosa-2(18),4(16),5,14-tetraene-3,9,17-trione 47 52 0 0 0 SMALL GASTEIGER @ATOM 1 O 4.5287 1.2812 -1.2750 O.3 1 UNL111111 -0.4004 2 O 4.4767 -1.8710 0.5699 O.3 1 UNL111111 -0.5536 3 O 3.9534 0.1047 2.6147 O.3 1 UNL111111 -0.5510 4 O -4.6021 -1.5663 0.2603 O.3 1 UNL111111 -0.3773 5 O -4.1528 1.5988 0.2419 O.3 1 UNL111111 -0.3630 6 O 1.8332 -2.4082 0.4825 O.2 1 UNL111111 -0.3621 7 O 0.8970 2.7316 -0.7036 O.2 1 UNL111111 -0.2938 8 O -1.6144 2.2105 -0.9073 O.3 1 UNL111111 -0.2697 9 O -0.6983 -2.8700 0.4188 O.3 1 UNL111111 -0.3151 10 O -5.8483 2.2416 1.5292 O.2 1 UNL111111 -0.4060 11 C 4.1342 -0.5561 0.2783 C.3 1 UNL111111 0.1841 12 C 4.6783 0.3564 1.4336 C.3 1 UNL111111 0.1358 13 C 3.6850 1.8760 -0.2979 C.3 1 UNL111111 0.1242 14 C 4.8542 -0.0880 -1.0292 C.3 1 UNL111111 0.0996 15 C 2.6757 -0.2504 0.1068 C.2 1 UNL111111 -0.1452 16 C 4.4024 1.8251 1.0689 C.3 1 UNL111111 -0.3514 17 C 2.4392 1.0401 -0.1905 C.2 1 UNL111111 -0.1150 18 C 1.6042 -1.2488 0.2318 C.2 1 UNL111111 0.4528 19 C 1.0908 1.5797 -0.4211 C.2 1 UNL111111 0.4152 20 C 0.2234 -0.7199 0.0042 C.ar 1 UNL111111 -0.1703 21 C -0.0136 0.5680 -0.2973 C.ar 1 UNL111111 -0.1173 22 C 4.4243 -0.8850 -2.2492 C.3 1 UNL111111 -0.4748 23 C -3.8616 0.5831 -0.7219 C.3 1 UNL111111 0.0466 24 C -2.4879 0.0747 -0.4449 C.ar 1 UNL111111 -0.1116 25 C -4.9683 -0.5011 -0.5937 C.3 1 UNL111111 0.0689 26 C -2.2509 -1.2063 -0.1409 C.ar 1 UNL111111 -0.1023 27 C -1.3958 1.0808 -0.5646 C.ar 1 UNL111111 0.4046 28 C -3.3584 -2.1986 -0.0427 C.3 1 UNL111111 -0.1666 29 C -0.8776 -1.7196 0.1214 C.ar 1 UNL111111 0.4197 30 C -6.0797 0.2092 0.1829 C.3 1 UNL111111 -0.4119 31 C -5.4250 1.4392 0.7535 C.2 1 UNL111111 0.5893 32 C -3.4618 -3.0631 -1.2184 C.3 1 UNL111111 0.2044 33 H 5.7493 0.1430 1.6252 H 1 UNL111111 0.1384 34 H 3.5286 2.9024 -0.6881 H 1 UNL111111 0.1741 35 H 5.9574 -0.1016 -0.8940 H 1 UNL111111 0.1466 36 H 3.7814 2.2973 1.8587 H 1 UNL111111 0.1873 37 H 5.3380 2.4088 1.0246 H 1 UNL111111 0.1661 38 H 3.3745 -0.7066 -2.5079 H 1 UNL111111 0.1549 39 H 4.5608 -1.9619 -2.0807 H 1 UNL111111 0.1670 40 H 5.0185 -0.6055 -3.1295 H 1 UNL111111 0.1619 41 H -3.9067 1.0998 -1.7147 H 1 UNL111111 0.1682 42 H -5.2767 -0.9132 -1.5728 H 1 UNL111111 0.1415 43 H 3.6765 -2.4539 0.5658 H 1 UNL111111 0.3586 44 H -3.2384 -2.8423 0.8858 H 1 UNL111111 0.2191 45 H 3.9705 -0.8573 2.8188 H 1 UNL111111 0.3309 46 H -6.4804 -0.4344 0.9962 H 1 UNL111111 0.2095 47 H -6.9491 0.4696 -0.4468 H 1 UNL111111 0.1892 @BOND 1 40 22 1 2 39 22 1 3 22 38 1 4 22 14 1 5 32 28 1 6 35 14 1 7 14 1 1 8 14 11 1 9 43 2 1 10 1 13 1 11 2 11 1 12 6 18 2 13 9 29 1 14 42 25 1 15 11 15 1 16 11 12 1 17 18 15 1 18 18 20 1 19 29 20 ar 20 29 26 ar 21 15 17 2 22 28 26 1 23 28 44 1 24 28 4 1 25 20 21 ar 26 26 24 ar 27 41 23 1 28 17 13 1 29 17 19 1 30 13 34 1 31 13 16 1 32 21 19 1 33 21 27 ar 34 24 27 ar 35 24 23 1 36 25 4 1 37 25 23 1 38 25 30 1 39 19 7 2 40 27 8 1 41 33 12 1 42 23 5 1 43 12 16 1 44 12 3 1 45 16 37 1 46 16 36 1 47 47 30 1 48 45 3 1 49 30 46 1 50 30 31 1 51 5 31 1 52 31 10 2