@MOLECULE 6-isobutyryl-5,7-dimethoxy-2,2-dimethylbenzopyran 43 44 0 0 0 SMALL GASTEIGER @ATOM 1 O -2.8063 1.0216 -0.0250 O.3 1 UNL1111111111 -0.3562 2 O 0.8433 -2.1224 0.5646 O.3 1 UNL1111111111 -0.3246 3 O 1.7303 2.3664 0.1639 O.3 1 UNL1111111111 -0.2752 4 O 3.2926 0.2254 1.4096 O.2 1 UNL1111111111 -0.4350 5 C -3.8058 -0.0095 -0.2457 C.3 1 UNL1111111111 0.3264 6 C -1.1100 -0.6601 0.3342 C.ar 1 UNL1111111111 -0.3635 7 C -1.5204 0.6720 0.1119 C.ar 1 UNL1111111111 0.4033 8 C -3.4331 -1.3181 0.3701 C.2 1 UNL1111111111 -0.2957 9 C 1.2028 0.1355 0.3371 C.ar 1 UNL1111111111 -0.4142 10 C 0.2701 -0.9032 0.3909 C.ar 1 UNL1111111111 0.3820 11 C -2.1502 -1.6220 0.6145 C.2 1 UNL1111111111 -0.0489 12 C -3.9407 -0.1347 -1.7650 C.3 1 UNL1111111111 -0.4931 13 C -5.0435 0.6077 0.4061 C.3 1 UNL1111111111 -0.4790 14 C 3.2938 -0.8553 -0.7260 C.3 1 UNL1111111111 -0.1645 15 C 0.7355 1.4567 0.2029 C.ar 1 UNL1111111111 0.3857 16 C -0.6202 1.7435 0.0615 C.ar 1 UNL1111111111 -0.4737 17 C 2.6577 -0.1282 0.4509 C.2 1 UNL1111111111 0.5195 18 C 3.2990 0.0904 -1.9295 C.3 1 UNL1111111111 -0.4390 19 C 4.7108 -1.2968 -0.3656 C.3 1 UNL1111111111 -0.4358 20 C 0.2609 -3.2291 -0.1167 C.3 1 UNL1111111111 -0.1928 21 C 1.3588 3.7388 0.0806 C.3 1 UNL1111111111 -0.2051 22 H -4.2548 -1.9853 0.5975 H 1 UNL1111111111 0.1607 23 H -1.8629 -2.5611 1.0859 H 1 UNL1111111111 0.1535 24 H -4.1324 0.8415 -2.2265 H 1 UNL1111111111 0.1616 25 H -3.0183 -0.5293 -2.2093 H 1 UNL1111111111 0.1616 26 H -4.7592 -0.8075 -2.0384 H 1 UNL1111111111 0.1559 27 H -4.9240 0.6691 1.4960 H 1 UNL1111111111 0.1658 28 H -5.2112 1.6305 0.0440 H 1 UNL1111111111 0.1638 29 H -5.9416 0.0206 0.1925 H 1 UNL1111111111 0.1559 30 H 2.6754 -1.7560 -0.9632 H 1 UNL1111111111 0.1554 31 H -0.9959 2.7483 -0.0815 H 1 UNL1111111111 0.1916 32 H 3.8730 1.0015 -1.7190 H 1 UNL1111111111 0.1530 33 H 2.2828 0.3990 -2.2026 H 1 UNL1111111111 0.1484 34 H 3.7498 -0.3884 -2.8048 H 1 UNL1111111111 0.1440 35 H 5.1950 -1.8167 -1.1967 H 1 UNL1111111111 0.1369 36 H 5.3362 -0.4363 -0.0912 H 1 UNL1111111111 0.1591 37 H 4.7069 -1.9675 0.5029 H 1 UNL1111111111 0.1516 38 H 1.1360 -3.7816 -0.4862 H 1 UNL1111111111 0.1468 39 H -0.3843 -2.9362 -0.9492 H 1 UNL1111111111 0.1416 40 H -0.2843 -3.8269 0.6218 H 1 UNL1111111111 0.1384 41 H 0.7445 4.0308 0.9386 H 1 UNL1111111111 0.1432 42 H 0.8535 3.9480 -0.8668 H 1 UNL1111111111 0.1353 43 H 2.3360 4.2399 0.1204 H 1 UNL1111111111 0.1551 @BOND 1 1 5 1 2 1 7 1 3 2 10 1 4 2 20 1 5 3 15 1 6 3 21 1 7 4 17 2 8 5 8 1 9 5 12 1 10 5 13 1 11 6 7 ar 12 6 10 ar 13 6 11 1 14 7 16 ar 15 8 11 2 16 8 22 1 17 9 10 ar 18 9 15 ar 19 9 17 1 20 11 23 1 21 12 24 1 22 12 25 1 23 12 26 1 24 13 27 1 25 13 28 1 26 13 29 1 27 14 17 1 28 14 18 1 29 14 19 1 30 14 30 1 31 15 16 ar 32 16 31 1 33 18 32 1 34 18 33 1 35 18 34 1 36 19 35 1 37 19 36 1 38 19 37 1 39 20 38 1 40 20 39 1 41 20 40 1 42 21 41 1 43 21 42 1 44 21 43 1