@MOLECULE (4s,5z,7s,8s,10r)-4,7,8-trihydroxy-10-methyl-3,4,7,8,9,10-hexahydro-2h-oxecin-2-one 31 31 0 0 0 SMALL GASTEIGER @ATOM 1 O -0.1641 1.2345 -0.5521 O.3 1 UNL1111111111 -0.4588 2 O 3.0261 -0.6356 -0.3321 O.3 1 UNL1111111111 -0.5845 3 O 1.3266 -2.6953 -0.2403 O.3 1 UNL1111111111 -0.5510 4 O -3.3514 -1.3293 -0.7211 O.3 1 UNL1111111111 -0.5488 5 O -1.1693 2.3698 1.1068 O.2 1 UNL1111111111 -0.5128 6 C 1.9995 -0.5610 0.6476 C.3 1 UNL1111111111 0.1144 7 C 1.6571 0.8897 0.9863 C.3 1 UNL1111111111 -0.3905 8 C 1.1193 1.7516 -0.1632 C.3 1 UNL1111111111 0.1777 9 C 0.8465 -1.3800 0.0097 C.3 1 UNL1111111111 0.1242 10 C -0.2846 -1.5891 0.9736 C.2 1 UNL1111111111 -0.1714 11 C 1.9317 1.7059 -1.4484 C.3 1 UNL1111111111 -0.4735 12 C -2.1150 -0.6680 -0.4991 C.3 1 UNL1111111111 0.1775 13 C -2.4388 0.8239 -0.2623 C.3 1 UNL1111111111 -0.4101 14 C -1.5663 -1.3012 0.7456 C.2 1 UNL1111111111 -0.1726 15 C -1.2338 1.5746 0.2056 C.2 1 UNL1111111111 0.6208 16 H 2.3815 -1.0914 1.5532 H 1 UNL1111111111 0.1288 17 H 0.9046 0.8968 1.8080 H 1 UNL1111111111 0.1788 18 H 2.5522 1.3879 1.4101 H 1 UNL1111111111 0.1542 19 H 0.9814 2.8043 0.1864 H 1 UNL1111111111 0.1397 20 H 0.5437 -0.9434 -0.9680 H 1 UNL1111111111 0.1467 21 H 0.0224 -2.0793 1.9016 H 1 UNL1111111111 0.1628 22 H 1.9493 0.6928 -1.8811 H 1 UNL1111111111 0.1819 23 H 1.5051 2.3708 -2.2097 H 1 UNL1111111111 0.1558 24 H 2.9700 2.0049 -1.2757 H 1 UNL1111111111 0.1519 25 H -1.4571 -0.8057 -1.3864 H 1 UNL1111111111 0.1358 26 H -3.2543 0.9112 0.4920 H 1 UNL1111111111 0.1993 27 H -2.8399 1.2826 -1.1883 H 1 UNL1111111111 0.1797 28 H -2.3412 -1.5385 1.4822 H 1 UNL1111111111 0.1723 29 H 3.7871 -0.0797 -0.0878 H 1 UNL1111111111 0.3244 30 H 2.1946 -2.6451 -0.6974 H 1 UNL1111111111 0.3315 31 H -3.6220 -1.2582 -1.6554 H 1 UNL1111111111 0.3157 @BOND 1 1 8 1 2 1 15 1 3 2 6 1 4 2 29 1 5 3 9 1 6 3 30 1 7 4 12 1 8 4 31 1 9 5 15 2 10 6 7 1 11 6 9 1 12 6 16 1 13 7 8 1 14 7 17 1 15 7 18 1 16 8 11 1 17 8 19 1 18 9 10 1 19 9 20 1 20 10 14 2 21 10 21 1 22 11 22 1 23 11 23 1 24 11 24 1 25 12 13 1 26 12 14 1 27 12 25 1 28 13 15 1 29 13 26 1 30 13 27 1 31 14 28 1