@MOLECULE 3-o-acetyl-2,6-anhydro-1-o-(2-methoxy-2-oxoethyl)-4,5-di-o-methylhexitol 43 43 0 0 0 SMALL GASTEIGER @ATOM 1 O 1.2136 -1.0449 1.9039 O.3 1 UNL1111111111 -0.3769 2 O 1.7201 -1.8650 -1.4876 O.3 1 UNL1111111111 -0.3994 3 O 0.9951 1.2145 0.3402 O.3 1 UNL1111111111 -0.4005 4 O 3.7253 0.0721 0.7361 O.3 1 UNL1111111111 -0.3613 5 O -2.0303 -0.4905 0.6867 O.3 1 UNL1111111111 -0.3585 6 O 1.3948 2.1432 -1.6707 O.2 1 UNL1111111111 -0.5363 7 O -5.4144 0.2776 0.3650 O.3 1 UNL1111111111 -0.4386 8 O -3.9568 -0.4307 -1.1952 O.2 1 UNL1111111111 -0.4530 9 C 0.7388 -0.0556 -0.2590 C.3 1 UNL1111111111 0.0404 10 C 2.0372 -0.6446 -0.8361 C.3 1 UNL1111111111 0.0161 11 C 0.2295 -0.9335 0.8926 C.3 1 UNL1111111111 0.0698 12 C 3.0526 -1.0746 0.2447 C.3 1 UNL1111111111 0.0343 13 C 2.3857 -1.7045 1.4767 C.3 1 UNL1111111111 -0.0591 14 C -0.9683 -0.2963 1.6180 C.3 1 UNL1111111111 -0.0711 15 C 1.2355 -1.7079 -2.8087 C.3 1 UNL1111111111 -0.1920 16 C 1.3244 2.2446 -0.4713 C.2 1 UNL1111111111 0.6302 17 C 4.8505 0.4529 -0.0331 C.3 1 UNL1111111111 -0.2143 18 C -3.1970 0.2250 1.0487 C.3 1 UNL1111111111 -0.1185 19 C 1.5627 3.4643 0.3526 C.3 1 UNL1111111111 -0.5108 20 C -4.1655 -0.0393 -0.0829 C.2 1 UNL1111111111 0.5817 21 C -6.4741 0.1177 -0.5705 C.3 1 UNL1111111111 -0.1625 22 H -0.0403 0.0724 -1.0457 H 1 UNL1111111111 0.1639 23 H 2.5101 0.0734 -1.5440 H 1 UNL1111111111 0.1557 24 H -0.0322 -1.9461 0.4984 H 1 UNL1111111111 0.1570 25 H 3.7788 -1.7970 -0.1974 H 1 UNL1111111111 0.1382 26 H 3.0341 -1.6036 2.3715 H 1 UNL1111111111 0.1603 27 H 2.1533 -2.7692 1.2879 H 1 UNL1111111111 0.1314 28 H -1.1968 -0.8278 2.5583 H 1 UNL1111111111 0.1372 29 H -0.8025 0.7742 1.8246 H 1 UNL1111111111 0.1432 30 H 0.2972 -1.1429 -2.8242 H 1 UNL1111111111 0.1340 31 H 1.9852 -1.2294 -3.4462 H 1 UNL1111111111 0.1255 32 H 1.0599 -2.7439 -3.1260 H 1 UNL1111111111 0.1475 33 H 4.5662 0.7231 -1.0546 H 1 UNL1111111111 0.1254 34 H 5.2209 1.3374 0.5013 H 1 UNL1111111111 0.1471 35 H 5.6107 -0.3341 -0.0355 H 1 UNL1111111111 0.1232 36 H -2.9870 1.3106 1.1263 H 1 UNL1111111111 0.1546 37 H -3.5901 -0.1457 2.0156 H 1 UNL1111111111 0.1553 38 H 0.6474 4.0713 0.4240 H 1 UNL1111111111 0.1829 39 H 2.3461 4.0912 -0.1002 H 1 UNL1111111111 0.1836 40 H 1.8774 3.2137 1.3793 H 1 UNL1111111111 0.1891 41 H -6.3099 0.7602 -1.4422 H 1 UNL1111111111 0.1395 42 H -6.5507 -0.9310 -0.8773 H 1 UNL1111111111 0.1401 43 H -7.3562 0.4331 -0.0013 H 1 UNL1111111111 0.1458 @BOND 1 1 11 1 2 1 13 1 3 2 10 1 4 2 15 1 5 3 9 1 6 3 16 1 7 4 12 1 8 4 17 1 9 5 14 1 10 5 18 1 11 6 16 2 12 7 20 1 13 7 21 1 14 8 20 2 15 9 10 1 16 9 11 1 17 9 22 1 18 10 12 1 19 10 23 1 20 11 14 1 21 11 24 1 22 12 13 1 23 12 25 1 24 13 26 1 25 13 27 1 26 14 28 1 27 14 29 1 28 15 30 1 29 15 31 1 30 15 32 1 31 16 19 1 32 17 33 1 33 17 34 1 34 17 35 1 35 18 20 1 36 18 36 1 37 18 37 1 38 19 38 1 39 19 39 1 40 19 40 1 41 21 41 1 42 21 42 1 43 21 43 1