@MOLECULE (2r)-2-(8-hydroxy-6-methoxy-1-oxo-1h-isochromen-3-yl)propanoic acid 31 32 0 0 0 SMALL USER_CHARGES @ATOM 1 O 1.5217 -0.9447 0.3022 O.3 1 UNL11111111 -0.3239 2 O -4.1705 1.8011 0.0103 O.3 1 UNL11111111 -0.0662 3 O -2.3474 -2.5775 -0.3102 O.3 1 UNL11111111 -0.3767 4 O 0.3237 -2.7401 -0.0434 O.2 1 UNL11111111 -0.4027 5 O 5.1125 0.9506 -0.4646 O.3 1 UNL11111111 -0.5197 6 O 3.3532 0.5297 -1.7675 O.2 1 UNL11111111 -0.2886 7 C 3.0500 0.7865 0.6499 C.3 1 UNL11111111 0.3710 8 C 1.6144 0.3994 0.4383 C.2 1 UNL11111111 0.3295 9 C -0.7711 0.7021 0.2068 C.ar 1 UNL11111111 0.8615 10 C -0.8875 -0.6993 0.0476 C.ar 1 UNL11111111 -0.7474 11 C 0.5555 1.2352 0.4051 C.2 1 UNL11111111 -0.8660 12 C -1.9018 1.5050 0.1790 C.ar 1 UNL11111111 -0.8810 13 C -2.1691 -1.2623 -0.1441 C.ar 1 UNL11111111 0.4598 14 C 3.7095 -0.1324 1.6796 C.3 1 UNL11111111 -1.4313 15 C 0.2784 -1.5357 0.0815 C.2 1 UNL11111111 0.6261 16 C -3.1641 0.9033 0.0005 C.ar 1 UNL11111111 0.5327 17 C -3.3214 -0.4732 -0.1636 C.ar 1 UNL11111111 -0.6824 18 C 3.7892 0.7163 -0.6661 C.2 1 UNL11111111 0.3117 19 C -5.4986 1.3071 -0.1314 C.3 1 UNL11111111 -0.7330 20 H 3.1040 1.8495 1.0200 H 1 UNL11111111 0.1482 21 H 0.6644 2.3106 0.5155 H 1 UNL11111111 0.3089 22 H -1.8350 2.5823 0.2927 H 1 UNL11111111 0.3352 23 H 3.7088 -1.1829 1.3499 H 1 UNL11111111 0.4037 24 H 4.7564 0.1522 1.8573 H 1 UNL11111111 0.4647 25 H 3.1839 -0.0974 2.6419 H 1 UNL11111111 0.3369 26 H -4.2868 -0.9441 -0.3051 H 1 UNL11111111 0.3105 27 H -1.4687 -3.0814 -0.2888 H 1 UNL11111111 0.3791 28 H 5.6486 0.9098 -1.2964 H 1 UNL11111111 0.3599 29 H -6.0930 2.2301 -0.0855 H 1 UNL11111111 0.2909 30 H -5.6296 0.8133 -1.0997 H 1 UNL11111111 0.2298 31 H -5.7563 0.6415 0.6986 H 1 UNL11111111 0.2587 @BOND 1 6 18 2 2 28 5 1 3 30 19 1 4 18 5 1 5 18 7 1 6 3 27 1 7 3 13 1 8 26 17 1 9 17 13 ar 10 17 16 ar 11 13 10 ar 12 19 29 1 13 19 2 1 14 19 31 1 15 4 15 2 16 16 2 1 17 16 12 ar 18 10 15 1 19 10 9 ar 20 15 1 1 21 12 9 ar 22 12 22 1 23 9 11 1 24 1 8 1 25 11 8 2 26 11 21 1 27 8 7 1 28 7 20 1 29 7 14 1 30 23 14 1 31 14 24 1 32 14 25 1