@MOLECULE (3r)-6,8-dihydroxy-3-{[(2r,6s)-6-methyltetrahydro-2h-pyran-2-yl]methyl}-3,4-dihydro-1h-isochromen-1-one 41 43 0 0 0 SMALL USER_CHARGES @ATOM 1 O -3.0413 0.0107 0.9849 O.3 1 UNL11111111 -0.4238 2 O -0.0232 1.4963 -0.3072 O.3 1 UNL11111111 -0.4028 3 O 1.5718 2.8001 0.4137 O.2 1 UNL11111111 -0.5259 4 O 3.9758 1.8223 0.9934 O.3 1 UNL11111111 -0.4527 5 O 4.8805 -2.5724 -0.1890 O.3 1 UNL11111111 -0.4559 6 C -2.9058 0.8810 -0.1137 C.3 1 UNL11111111 0.1361 7 C -4.2547 1.1760 -0.7837 C.3 1 UNL11111111 -0.3264 8 C -1.8666 0.3441 -1.1155 C.3 1 UNL11111111 -0.3683 9 C -5.0135 -0.1188 -1.0888 C.3 1 UNL11111111 -0.2564 10 C -0.5227 0.1556 -0.4117 C.3 1 UNL11111111 0.1493 11 C -3.7003 -1.2240 0.7330 C.3 1 UNL11111111 0.1475 12 C -5.1089 -0.9740 0.1782 C.3 1 UNL11111111 -0.3305 13 C 0.4377 -0.7331 -1.2083 C.3 1 UNL11111111 -0.3739 14 C 1.8108 -0.6517 -0.6262 C.ar 1 UNL11111111 0.2304 15 C -3.7321 -1.8943 2.1063 C.3 1 UNL11111111 -0.4747 16 C 2.1999 0.5577 -0.0283 C.ar 1 UNL11111111 -0.4548 17 C 1.2712 1.6750 0.0570 C.2 1 UNL11111111 0.6570 18 C 2.6867 -1.7224 -0.7001 C.ar 1 UNL11111111 -0.4416 19 C 3.5177 0.6860 0.4641 C.ar 1 UNL11111111 0.4485 20 C 3.9802 -1.5663 -0.1639 C.ar 1 UNL11111111 0.4078 21 C 4.4222 -0.3823 0.4148 C.ar 1 UNL11111111 -0.4033 22 H -2.5069 1.7947 0.3987 H 1 UNL11111111 0.1588 23 H -1.7572 1.0607 -1.9548 H 1 UNL11111111 0.1701 24 H -2.2091 -0.6050 -1.5615 H 1 UNL11111111 0.1538 25 H -4.1084 1.7717 -1.7016 H 1 UNL11111111 0.1446 26 H -4.8615 1.8076 -0.1041 H 1 UNL11111111 0.1533 27 H -4.5117 -0.6814 -1.8972 H 1 UNL11111111 0.1314 28 H -6.0257 0.1140 -1.4691 H 1 UNL11111111 0.1361 29 H -0.6490 -0.2160 0.6341 H 1 UNL11111111 0.1575 30 H -3.0873 -1.8095 0.0137 H 1 UNL11111111 0.1057 31 H -5.7234 -0.4543 0.9383 H 1 UNL11111111 0.1550 32 H -5.6176 -1.9304 -0.0282 H 1 UNL11111111 0.1382 33 H 0.4759 -0.4087 -2.2733 H 1 UNL11111111 0.1828 34 H 0.0574 -1.7739 -1.2292 H 1 UNL11111111 0.1702 35 H -4.2519 -1.2636 2.8394 H 1 UNL11111111 0.1629 36 H -2.7157 -2.0494 2.4894 H 1 UNL11111111 0.1585 37 H -4.2378 -2.8626 2.0663 H 1 UNL11111111 0.1473 38 H 2.3923 -2.6570 -1.1583 H 1 UNL11111111 0.1693 39 H 5.4299 -0.2807 0.8089 H 1 UNL11111111 0.2063 40 H 3.2666 2.5556 0.9600 H 1 UNL11111111 0.3813 41 H 4.5251 -3.3929 -0.6132 H 1 UNL11111111 0.3314 @BOND 1 33 13 1 2 23 8 1 3 27 9 1 4 25 7 1 5 24 8 1 6 28 9 1 7 34 13 1 8 13 14 1 9 13 10 1 10 38 18 1 11 8 10 1 12 8 6 1 13 9 7 1 14 9 12 1 15 7 6 1 16 7 26 1 17 18 14 ar 18 18 20 ar 19 14 16 ar 20 41 5 1 21 10 2 1 22 10 29 1 23 2 17 1 24 5 20 1 25 20 21 ar 26 6 22 1 27 6 1 1 28 16 17 1 29 16 19 ar 30 32 12 1 31 30 11 1 32 17 3 2 33 12 11 1 34 12 31 1 35 21 19 ar 36 21 39 1 37 19 4 1 38 11 1 1 39 11 15 1 40 40 4 1 41 37 15 1 42 15 36 1 43 15 35 1