@MOLECULE hexyl 3-deoxy-beta-d-xylo-hexopyranoside 41 41 0 0 0 SMALL GASTEIGER @ATOM 1 C 1.0615 0.6558 -0.5060 C.3 1 UNL1111111111 -0.3504 2 C 1.9461 1.8104 0.0282 C.3 1 UNL1111111111 0.1093 3 C 3.4304 1.5318 -0.2071 C.3 1 UNL1111111111 -0.8163 4 C 3.8030 0.1141 0.2340 C.3 1 UNL1111111111 0.0907 5 C 2.8533 -0.9084 -0.4217 C.3 1 UNL1111111111 -0.2226 6 C 3.0717 -2.3235 0.1336 C.3 1 UNL1111111111 -0.4273 7 O -0.1772 0.8724 0.1066 O.3 1 UNL1111111111 -0.0798 8 O 1.6609 2.9622 -0.7406 O.3 1 UNL1111111111 -0.4375 9 O 3.7232 0.0026 1.6344 O.3 1 UNL1111111111 -0.4157 10 O 1.5218 -0.6052 -0.0355 O.3 1 UNL1111111111 -0.1053 11 O 2.4191 -3.2608 -0.6938 O.3 1 UNL1111111111 -0.3454 12 C -1.1376 -0.1618 -0.1164 C.3 1 UNL1111111111 -0.4816 13 C -2.4768 0.5018 0.2112 C.3 1 UNL1111111111 -0.2476 14 C -3.6298 -0.4630 -0.0807 C.3 1 UNL1111111111 -0.4310 15 C -4.9749 0.2026 0.2357 C.3 1 UNL1111111111 -0.3863 16 C -6.1439 -0.7330 -0.0993 C.3 1 UNL1111111111 -0.0717 17 C -7.4791 -0.0705 0.2405 C.3 1 UNL1111111111 -0.8013 18 H 0.9676 0.6238 -1.6093 H 1 UNL1111111111 0.2382 19 H 1.7207 2.0193 1.0976 H 1 UNL1111111111 0.1616 20 H 4.0386 2.2736 0.3516 H 1 UNL1111111111 0.2816 21 H 3.6818 1.6976 -1.2737 H 1 UNL1111111111 0.3270 22 H 4.8726 -0.1138 0.0259 H 1 UNL1111111111 0.2006 23 H 2.9301 -0.8959 -1.5302 H 1 UNL1111111111 0.2050 24 H 4.1334 -2.6274 0.0901 H 1 UNL1111111111 0.2850 25 H 2.6989 -2.4185 1.1701 H 1 UNL1111111111 0.2114 26 H 0.7324 3.2436 -0.5942 H 1 UNL1111111111 0.3091 27 H 2.7812 0.0281 1.9201 H 1 UNL1111111111 0.3696 28 H 1.4581 -3.0668 -0.7212 H 1 UNL1111111111 0.2907 29 H -0.8983 -0.9946 0.5675 H 1 UNL1111111111 0.2816 30 H -1.0879 -0.5134 -1.1599 H 1 UNL1111111111 0.2177 31 H -2.5878 1.4326 -0.3780 H 1 UNL1111111111 0.1708 32 H -2.4901 0.8198 1.2716 H 1 UNL1111111111 0.1897 33 H -3.5158 -1.3877 0.5158 H 1 UNL1111111111 0.2077 34 H -3.6060 -0.7782 -1.1411 H 1 UNL1111111111 0.1919 35 H -5.0742 1.1459 -0.3336 H 1 UNL1111111111 0.1630 36 H -5.0150 0.4883 1.3036 H 1 UNL1111111111 0.1929 37 H -6.0414 -1.6838 0.4570 H 1 UNL1111111111 0.1345 38 H -6.1183 -1.0047 -1.1714 H 1 UNL1111111111 0.1099 39 H -8.3222 -0.7243 -0.0080 H 1 UNL1111111111 0.2257 40 H -7.5492 0.1651 1.3084 H 1 UNL1111111111 0.2397 41 H -7.6143 0.8656 -0.3128 H 1 UNL1111111111 0.2151 @BOND 1 1 2 1 2 1 7 1 3 1 10 1 4 1 18 1 5 2 3 1 6 2 8 1 7 2 19 1 8 3 4 1 9 3 20 1 10 3 21 1 11 4 5 1 12 4 9 1 13 4 22 1 14 5 6 1 15 5 10 1 16 5 23 1 17 6 11 1 18 6 24 1 19 6 25 1 20 7 12 1 21 8 26 1 22 9 27 1 23 11 28 1 24 12 13 1 25 12 29 1 26 12 30 1 27 13 14 1 28 13 31 1 29 13 32 1 30 14 15 1 31 14 33 1 32 14 34 1 33 15 16 1 34 15 35 1 35 15 36 1 36 16 17 1 37 16 37 1 38 16 38 1 39 17 39 1 40 17 40 1 41 17 41 1