@MOLECULE (5s,6r)-6-ethyl-5-hydroxy-3-(hydroxymethyl)-5,6,7,8-tetrahydro-4h-chromen-4-one 32 33 0 0 0 SMALL USER_CHARGES @ATOM 1 O 1.3540 2.0156 0.4511 O.3 1 UNL11111111 -0.3983 2 O -1.1868 -1.9445 0.2438 O.2 1 UNL11111111 -0.0457 3 O -1.2914 2.0964 -0.0984 O.2 1 UNL11111111 -0.2754 4 O -4.7792 -0.0530 -0.3989 O.3 1 UNL11111111 -0.3700 5 C 2.4994 -0.0040 0.0979 C.3 1 UNL11111111 -0.0270 6 C 1.2758 0.8430 -0.3296 C.3 1 UNL11111111 -0.4205 7 C 2.3669 -1.4168 -0.4919 C.3 1 UNL11111111 -0.4618 8 C 1.1392 -2.1383 0.0826 C.3 1 UNL11111111 -0.4152 9 C -0.0173 0.1117 -0.0877 C.2 1 UNL11111111 -0.0799 10 C 3.7846 0.6880 -0.3790 C.3 1 UNL11111111 -0.2594 11 C -0.0349 -1.2271 0.0648 C.2 1 UNL11111111 0.1546 12 C -1.2564 0.8827 -0.0221 C.2 1 UNL11111111 0.1684 13 C 5.0312 0.0939 0.2752 C.3 1 UNL11111111 -0.7191 14 C -2.4632 0.0685 0.1541 C.2 1 UNL11111111 -0.0870 15 C -2.3644 -1.2667 0.2819 C.2 1 UNL11111111 -0.1447 16 C -3.7874 0.7584 0.2001 C.3 1 UNL11111111 -0.3762 17 H 2.5089 -0.0557 1.2139 H 1 UNL11111111 0.2244 18 H 1.3429 1.1485 -1.4021 H 1 UNL11111111 0.3032 19 H 3.2807 -2.0033 -0.2777 H 1 UNL11111111 0.2011 20 H 2.2979 -1.3632 -1.5952 H 1 UNL11111111 0.2338 21 H 1.3392 -2.4669 1.1282 H 1 UNL11111111 0.2419 22 H 0.9341 -3.0725 -0.4824 H 1 UNL11111111 0.2122 23 H 3.7183 1.7710 -0.1305 H 1 UNL11111111 0.2207 24 H 3.8671 0.6362 -1.4795 H 1 UNL11111111 0.1419 25 H 4.9726 0.1506 1.3687 H 1 UNL11111111 0.2139 26 H 5.1751 -0.9565 0.0041 H 1 UNL11111111 0.2168 27 H 5.9323 0.6379 -0.0308 H 1 UNL11111111 0.2076 28 H 0.5087 2.5215 0.3727 H 1 UNL11111111 0.3172 29 H -3.1640 -1.9934 0.4230 H 1 UNL11111111 0.2813 30 H -3.7606 1.7531 -0.2899 H 1 UNL11111111 0.1973 31 H -4.1575 0.8800 1.2403 H 1 UNL11111111 0.2532 32 H -4.6531 -0.0906 -1.3677 H 1 UNL11111111 0.2905 @BOND 1 20 7 1 2 24 10 1 3 18 6 1 4 32 4 1 5 7 19 1 6 7 8 1 7 7 5 1 8 22 8 1 9 4 16 1 10 10 23 1 11 10 5 1 12 10 13 1 13 6 9 1 14 6 5 1 15 6 1 1 16 30 16 1 17 3 12 2 18 9 12 1 19 9 11 2 20 27 13 1 21 12 14 1 22 26 13 1 23 11 8 1 24 11 2 1 25 8 21 1 26 5 17 1 27 14 16 1 28 14 15 2 29 16 31 1 30 2 15 1 31 13 25 1 32 15 29 1 33 28 1 1