@MOLECULE 8-hydroxy-3-[(2s)-2-hydroxypropyl]-6-methoxy-1h-isochromen-1-one 32 33 0 0 0 SMALL USER_CHARGES @ATOM 1 O 1.5561 -1.3890 -0.3737 O.3 1 UNL11111111 -0.2684 2 O 4.3945 0.1727 1.3452 O.3 1 UNL11111111 -0.4170 3 O -3.6743 2.1373 0.0516 O.3 1 UNL11111111 -0.0622 4 O -2.4958 -2.4643 0.2842 O.3 1 UNL11111111 -0.3661 5 O 0.1169 -3.0048 -0.0434 O.2 1 UNL11111111 -0.4148 6 C 3.3052 0.1014 -0.7066 C.3 1 UNL11111111 -0.6804 7 C 1.8405 -0.0702 -0.5060 C.2 1 UNL11111111 0.4869 8 C 3.9114 1.0522 0.3439 C.3 1 UNL11111111 0.5238 9 C -0.4786 0.5602 -0.2498 C.ar 1 UNL11111111 0.7641 10 C -0.7904 -0.8116 -0.0921 C.ar 1 UNL11111111 -0.6353 11 C 0.9013 0.9020 -0.4709 C.2 1 UNL11111111 -0.9154 12 C -1.4820 1.5175 -0.1889 C.ar 1 UNL11111111 -0.7707 13 C 0.2446 -1.8043 -0.1548 C.2 1 UNL11111111 0.5616 14 C -2.1354 -1.1858 0.1261 C.ar 1 UNL11111111 0.3418 15 C 5.0650 1.8737 -0.2281 C.3 1 UNL11111111 -1.4279 16 C -2.8098 1.1018 0.0243 C.ar 1 UNL11111111 0.4094 17 C -3.1609 -0.2394 0.1850 C.ar 1 UNL11111111 -0.5529 18 C -5.0536 1.8433 0.2420 C.3 1 UNL11111111 -0.6931 19 H 3.5101 0.4580 -1.7367 H 1 UNL11111111 0.2353 20 H 3.8295 -0.8873 -0.6270 H 1 UNL11111111 0.2812 21 H 3.1392 1.7074 0.8084 H 1 UNL11111111 0.1314 22 H 1.1580 1.9482 -0.6042 H 1 UNL11111111 0.3150 23 H -1.2632 2.5739 -0.3034 H 1 UNL11111111 0.3176 24 H 5.5184 2.5150 0.5359 H 1 UNL11111111 0.3502 25 H 4.7367 2.5237 -1.0462 H 1 UNL11111111 0.4078 26 H 5.8595 1.2220 -0.6141 H 1 UNL11111111 0.3726 27 H -4.1801 -0.5661 0.3508 H 1 UNL11111111 0.2889 28 H 4.8365 0.6616 2.0637 H 1 UNL11111111 0.2741 29 H -1.6982 -3.0871 0.2261 H 1 UNL11111111 0.4009 30 H -5.2204 1.3667 1.2135 H 1 UNL11111111 0.2230 31 H -5.4372 1.2279 -0.5783 H 1 UNL11111111 0.2420 32 H -5.5050 2.8447 0.2199 H 1 UNL11111111 0.2767 @BOND 1 19 6 1 2 25 15 1 3 6 20 1 4 6 7 1 5 6 8 1 6 26 15 1 7 22 11 1 8 31 18 1 9 7 11 2 10 7 1 1 11 11 9 1 12 1 13 1 13 23 12 1 14 9 12 ar 15 9 10 ar 16 15 8 1 17 15 24 1 18 12 16 ar 19 13 10 1 20 13 5 2 21 10 14 ar 22 16 3 1 23 16 17 ar 24 3 18 1 25 14 17 ar 26 14 4 1 27 17 27 1 28 32 18 1 29 29 4 1 30 18 30 1 31 8 21 1 32 8 2 1 33 2 28 1