@MOLECULE 1-[2'-(hydroxymethyl)-4-methoxy-4'-methyl-3,6'-dioxo-3h-spiro[1-benzofuran-2,1'-cyclohexa[2,4]dien]-5-yl]-3-methylbutyl acetate 56 58 0 0 0 SMALL GASTEIGER @ATOM 1 O -2.0914 0.7244 -1.3023 O.3 1 UNL1111111111 -0.2870 2 O 4.0161 1.1529 -0.3088 O.3 1 UNL1111111111 -0.4573 3 O 1.3661 -1.2423 1.3688 O.3 1 UNL1111111111 -0.2963 4 O -2.0641 -1.3490 1.5667 O.2 1 UNL1111111111 -0.4276 5 O -2.9989 -1.7557 -1.9290 O.2 1 UNL1111111111 -0.3933 6 O -2.9228 3.0856 -0.2314 O.3 1 UNL1111111111 -0.5256 7 O 3.6152 1.9662 1.7520 O.2 1 UNL1111111111 -0.5082 8 C -2.8356 -0.0231 -0.3163 C.3 1 UNL1111111111 -0.0262 9 C -0.4867 -0.2593 0.0764 C.ar 1 UNL1111111111 -0.4411 10 C 3.3043 -0.0593 -0.0033 C.3 1 UNL1111111111 0.1601 11 C -1.7644 -0.6774 0.6232 C.2 1 UNL1111111111 0.4998 12 C 1.8661 0.1414 -0.3815 C.ar 1 UNL1111111111 -0.2585 13 C -0.7589 0.5523 -1.0567 C.ar 1 UNL1111111111 0.3388 14 C 3.9761 -1.1154 -0.8875 C.3 1 UNL1111111111 -0.3168 15 C -3.7016 0.9260 0.4351 C.2 1 UNL1111111111 -0.0422 16 C 0.8521 -0.4792 0.3982 C.ar 1 UNL1111111111 0.3985 17 C 5.3489 -1.5315 -0.3309 C.3 1 UNL1111111111 -0.0538 18 C -3.5725 -1.1407 -1.0682 C.2 1 UNL1111111111 0.4561 19 C 1.5344 0.9257 -1.4760 C.ar 1 UNL1111111111 0.0417 20 C 0.2008 1.1503 -1.8451 C.ar 1 UNL1111111111 -0.3431 21 C -4.9861 0.6329 0.6939 C.2 1 UNL1111111111 -0.1796 22 C -3.0628 2.2143 0.8703 C.3 1 UNL1111111111 -0.0108 23 C -4.9475 -1.4097 -0.6484 C.2 1 UNL1111111111 -0.3402 24 C -5.6090 -0.5878 0.1890 C.2 1 UNL1111111111 0.1441 25 C 5.1919 -2.4167 0.9107 C.3 1 UNL1111111111 -0.4564 26 C 6.1349 -2.2840 -1.4122 C.3 1 UNL1111111111 -0.4544 27 C -7.0068 -0.8522 0.6236 C.3 1 UNL1111111111 -0.4667 28 C 4.0842 2.1065 0.6533 C.2 1 UNL1111111111 0.6328 29 C 0.4983 -1.9109 2.2786 C.3 1 UNL1111111111 -0.1897 30 C 4.8211 3.2918 0.1264 C.3 1 UNL1111111111 -0.5117 31 H 3.4271 -0.2817 1.0848 H 1 UNL1111111111 0.1642 32 H 4.0902 -0.7141 -1.9141 H 1 UNL1111111111 0.1563 33 H 3.3132 -1.9973 -0.9778 H 1 UNL1111111111 0.1596 34 H 5.9156 -0.6096 -0.0516 H 1 UNL1111111111 0.1369 35 H 2.3352 1.3845 -2.0665 H 1 UNL1111111111 0.1672 36 H -0.0579 1.7544 -2.7070 H 1 UNL1111111111 0.1862 37 H -5.6199 1.3055 1.2728 H 1 UNL1111111111 0.1691 38 H -2.0665 2.0532 1.3303 H 1 UNL1111111111 0.1359 39 H -3.6907 2.7967 1.5739 H 1 UNL1111111111 0.1514 40 H -5.3946 -2.3069 -1.0736 H 1 UNL1111111111 0.1868 41 H 6.1673 -2.7188 1.3065 H 1 UNL1111111111 0.1423 42 H 4.6624 -1.8941 1.7153 H 1 UNL1111111111 0.1460 43 H 4.6296 -3.3292 0.6854 H 1 UNL1111111111 0.1461 44 H 5.6008 -3.1802 -1.7455 H 1 UNL1111111111 0.1454 45 H 6.3096 -1.6541 -2.2907 H 1 UNL1111111111 0.1408 46 H 7.1134 -2.6045 -1.0391 H 1 UNL1111111111 0.1418 47 H -7.0751 -0.9325 1.7205 H 1 UNL1111111111 0.1693 48 H -7.4155 -1.7854 0.2099 H 1 UNL1111111111 0.1648 49 H -7.6848 -0.0408 0.3155 H 1 UNL1111111111 0.1689 50 H -0.1283 -2.6389 1.7520 H 1 UNL1111111111 0.1549 51 H -0.1075 -1.1921 2.8400 H 1 UNL1111111111 0.1539 52 H 1.2151 -2.4161 2.9399 H 1 UNL1111111111 0.1499 53 H -2.4970 2.6111 -0.9781 H 1 UNL1111111111 0.3266 54 H 5.1377 3.1652 -0.9198 H 1 UNL1111111111 0.1818 55 H 5.7216 3.4847 0.7305 H 1 UNL1111111111 0.1835 56 H 4.1896 4.1925 0.1840 H 1 UNL1111111111 0.1849 @BOND 1 1 8 1 2 1 13 1 3 2 10 1 4 2 28 1 5 3 16 1 6 3 29 1 7 4 11 2 8 5 18 2 9 6 22 1 10 6 53 1 11 7 28 2 12 8 11 1 13 8 15 1 14 8 18 1 15 9 11 1 16 9 13 ar 17 9 16 ar 18 10 12 1 19 10 14 1 20 10 31 1 21 12 16 ar 22 12 19 ar 23 13 20 ar 24 14 17 1 25 14 32 1 26 14 33 1 27 15 21 2 28 15 22 1 29 17 25 1 30 17 26 1 31 17 34 1 32 18 23 1 33 19 20 ar 34 19 35 1 35 20 36 1 36 21 24 1 37 21 37 1 38 22 38 1 39 22 39 1 40 23 24 2 41 23 40 1 42 24 27 1 43 25 41 1 44 25 42 1 45 25 43 1 46 26 44 1 47 26 45 1 48 26 46 1 49 27 47 1 50 27 48 1 51 27 49 1 52 28 30 1 53 29 50 1 54 29 51 1 55 29 52 1 56 30 54 1 57 30 55 1 58 30 56 1