@MOLECULE (2r,3s,4as)-2,3,7-trihydroxy-9-methoxy-4a-methyl-2,3,4,4a-tetrahydro-6h-benzo[c]chromen-6-one 37 39 0 0 0 SMALL GASTEIGER @ATOM 1 O -0.9478 2.1093 -0.1836 O.3 1 UNL1111111111 -0.5488 2 O -3.9190 -0.6947 1.2294 O.3 1 UNL1111111111 -0.4923 3 O -3.4902 -2.5750 -0.6270 O.3 1 UNL1111111111 -0.3046 4 O 0.8044 3.2913 -0.6681 O.2 1 UNL1111111111 -0.2572 5 O 3.1515 2.2599 -0.0747 O.3 1 UNL1111111111 -0.3307 6 O 3.3182 -2.5523 0.1962 O.3 1 UNL1111111111 -0.0259 7 C -1.5501 0.9321 0.3550 C.3 1 UNL1111111111 1.2627 8 C -3.0155 1.0941 -0.0875 C.3 1 UNL1111111111 -0.7263 9 C -0.8880 -0.2996 -0.2173 C.2 1 UNL1111111111 -0.6245 10 C -3.7749 -0.2327 -0.0955 C.3 1 UNL1111111111 0.2490 11 C -3.0498 -1.2721 -0.9796 C.3 1 UNL1111111111 -0.5601 12 C -1.5677 -1.3076 -0.7719 C.2 1 UNL1111111111 0.1262 13 C -1.3970 0.9706 1.8743 C.3 1 UNL1111111111 -1.1026 14 C 0.5738 -0.2768 -0.1218 C.ar 1 UNL1111111111 0.3268 15 C 1.2015 0.9842 -0.1591 C.ar 1 UNL1111111111 -0.1224 16 C 0.4105 2.2019 -0.3468 C.2 1 UNL1111111111 0.2922 17 C 1.3170 -1.4385 0.0095 C.ar 1 UNL1111111111 -0.6020 18 C 2.5988 1.0347 -0.0612 C.ar 1 UNL1111111111 0.1345 19 C 2.7228 -1.3456 0.0884 C.ar 1 UNL1111111111 0.3784 20 C 3.3833 -0.1214 0.0588 C.ar 1 UNL1111111111 -0.6030 21 C 4.7396 -2.5826 0.2640 C.3 1 UNL1111111111 -0.7278 22 H -3.0479 1.5663 -1.0929 H 1 UNL1111111111 0.2266 23 H -3.5272 1.8111 0.5887 H 1 UNL1111111111 0.2255 24 H -4.8267 -0.0794 -0.4358 H 1 UNL1111111111 0.1257 25 H -3.2782 -1.0977 -2.0600 H 1 UNL1111111111 0.2499 26 H -1.0869 -2.2205 -1.1340 H 1 UNL1111111111 0.1993 27 H -1.7257 1.9398 2.2742 H 1 UNL1111111111 0.2642 28 H -2.0103 0.1945 2.3517 H 1 UNL1111111111 0.3148 29 H -0.3570 0.8266 2.1879 H 1 UNL1111111111 0.2904 30 H 0.8461 -2.4169 0.0629 H 1 UNL1111111111 0.3212 31 H -3.4738 -1.5624 1.3490 H 1 UNL1111111111 0.3529 32 H -4.4578 -2.6578 -0.7476 H 1 UNL1111111111 0.2854 33 H 4.4590 -0.0497 0.1239 H 1 UNL1111111111 0.2564 34 H 4.1425 2.2325 -0.0148 H 1 UNL1111111111 0.3508 35 H 4.9427 -3.6603 0.3434 H 1 UNL1111111111 0.3082 36 H 5.0991 -2.0594 1.1549 H 1 UNL1111111111 0.2552 37 H 5.1822 -2.1758 -0.6516 H 1 UNL1111111111 0.2319 @BOND 1 1 7 1 2 1 16 1 3 2 10 1 4 2 31 1 5 3 11 1 6 3 32 1 7 4 16 2 8 5 18 1 9 5 34 1 10 6 19 1 11 6 21 1 12 7 8 1 13 7 9 1 14 7 13 1 15 8 10 1 16 8 22 1 17 8 23 1 18 9 12 2 19 9 14 1 20 10 11 1 21 10 24 1 22 11 12 1 23 11 25 1 24 12 26 1 25 13 27 1 26 13 28 1 27 13 29 1 28 14 15 ar 29 14 17 ar 30 15 16 1 31 15 18 ar 32 17 19 ar 33 17 30 1 34 18 20 ar 35 19 20 ar 36 20 33 1 37 21 35 1 38 21 36 1 39 21 37 1