@MOLECULE (1r,9r)-1,5,12,12-tetramethyl-8-oxatricyclo[7.2.1.0~2,7~]dodeca-2,4,6-triene-4,9-diol 38 40 0 0 0 SMALL GASTEIGER @ATOM 1 O 0.6150 -1.6474 0.0206 O.3 1 UNL1111111111 -0.4262 2 O 2.8419 -1.9272 -0.0582 O.3 1 UNL1111111111 -0.5419 3 O -3.8940 1.4276 -0.0111 O.3 1 UNL1111111111 -0.4753 4 C 1.9493 0.3105 -0.6447 C.3 1 UNL1111111111 -0.0051 5 C 0.9710 1.1814 0.2204 C.3 1 UNL1111111111 0.0675 6 C 1.8745 -0.9801 0.2285 C.3 1 UNL1111111111 0.4720 7 C 1.4436 0.9123 1.6867 C.3 1 UNL1111111111 -0.2834 8 C 1.9766 -0.5338 1.6958 C.3 1 UNL1111111111 -0.3343 9 C -0.4012 0.5625 0.1004 C.ar 1 UNL1111111111 -0.1018 10 C 1.4969 0.1008 -2.0831 C.3 1 UNL1111111111 -0.4552 11 C 3.3835 0.8374 -0.6540 C.3 1 UNL1111111111 -0.4484 12 C 1.0041 2.6581 -0.1295 C.3 1 UNL1111111111 -0.4525 13 C -0.4858 -0.8419 0.0351 C.ar 1 UNL1111111111 0.2068 14 C -1.5815 1.2899 0.0845 C.ar 1 UNL1111111111 -0.1903 15 C -1.7018 -1.5182 -0.0454 C.ar 1 UNL1111111111 -0.2148 16 C -2.8019 0.6100 0.0014 C.ar 1 UNL1111111111 0.1947 17 C -2.8880 -0.7850 -0.0629 C.ar 1 UNL1111111111 -0.0579 18 C -4.2067 -1.4709 -0.1481 C.3 1 UNL1111111111 -0.4404 19 H 0.6122 1.0466 2.3964 H 1 UNL1111111111 0.1508 20 H 2.2226 1.6304 1.9837 H 1 UNL1111111111 0.1429 21 H 3.0174 -0.5995 2.0525 H 1 UNL1111111111 0.1638 22 H 1.3836 -1.1960 2.3488 H 1 UNL1111111111 0.1669 23 H 0.5180 -0.3890 -2.1582 H 1 UNL1111111111 0.1615 24 H 1.4125 1.0590 -2.6103 H 1 UNL1111111111 0.1522 25 H 2.2099 -0.5213 -2.6367 H 1 UNL1111111111 0.1472 26 H 3.7263 1.1380 0.3417 H 1 UNL1111111111 0.1492 27 H 4.0778 0.0616 -1.0070 H 1 UNL1111111111 0.1594 28 H 3.4881 1.7026 -1.3170 H 1 UNL1111111111 0.1464 29 H 0.6101 2.8360 -1.1385 H 1 UNL1111111111 0.1550 30 H 0.4062 3.2530 0.5719 H 1 UNL1111111111 0.1509 31 H 2.0249 3.0578 -0.1025 H 1 UNL1111111111 0.1512 32 H 2.5708 -2.4927 -0.8166 H 1 UNL1111111111 0.3397 33 H -1.5870 2.3774 0.1334 H 1 UNL1111111111 0.1779 34 H -1.7094 -2.6049 -0.0919 H 1 UNL1111111111 0.1761 35 H -4.8351 -1.2552 0.7292 H 1 UNL1111111111 0.1545 36 H -4.7610 -1.1763 -1.0515 H 1 UNL1111111111 0.1544 37 H -4.1023 -2.5658 -0.1920 H 1 UNL1111111111 0.1639 38 H -4.7363 0.9184 -0.0595 H 1 UNL1111111111 0.3225 @BOND 1 1 6 1 2 1 13 1 3 2 6 1 4 2 32 1 5 3 16 1 6 3 38 1 7 4 5 1 8 4 6 1 9 4 10 1 10 4 11 1 11 5 7 1 12 5 9 1 13 5 12 1 14 6 8 1 15 7 8 1 16 7 19 1 17 7 20 1 18 8 21 1 19 8 22 1 20 9 13 ar 21 9 14 ar 22 10 23 1 23 10 24 1 24 10 25 1 25 11 26 1 26 11 27 1 27 11 28 1 28 12 29 1 29 12 30 1 30 12 31 1 31 13 15 ar 32 14 16 ar 33 14 33 1 34 15 17 ar 35 15 34 1 36 16 17 ar 37 17 18 1 38 18 35 1 39 18 36 1 40 18 37 1