HMDB0031137 RDKit 3D Annosquamosin A 60 63 0 0 0 0 0 0 0 0999 V2000 6.8446 1.5397 -0.9003 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8615 0.5306 -0.3564 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9907 0.1163 0.8192 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8293 0.0506 -1.1073 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8308 -0.8580 -0.7909 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9248 -0.3773 0.2613 C 0 0 2 0 0 0 0 0 0 0 0 0 3.5957 -0.1455 1.4462 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7858 -1.3139 0.5806 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5356 -0.4764 0.7545 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2083 -0.8457 2.0205 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4281 0.0673 2.0593 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3782 -0.4602 1.0120 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7556 -0.7597 -0.2991 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.9847 -2.2521 -0.6093 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4889 -0.0463 -1.4486 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9512 -0.3563 -1.4236 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5804 -0.1464 -0.0861 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6168 0.4164 0.9351 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.3492 1.8661 0.7556 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3004 0.2588 2.2715 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0821 1.0472 3.1750 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3186 -0.4776 -0.4680 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0227 0.8049 -1.2344 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4817 0.8821 -1.3736 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2037 0.9083 -0.0801 C 0 0 1 0 0 0 0 0 0 0 0 0 1.1610 0.8971 1.0361 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7755 1.4106 -0.3304 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9535 1.4564 -1.9869 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4744 2.5834 -0.6967 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2836 -1.8251 -0.3969 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3157 -1.1981 -1.7208 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5832 -0.9854 1.9614 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9820 -1.9772 1.4266 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6479 -1.9634 -0.3205 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5992 -1.8830 1.9671 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4448 -0.6667 2.8780 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8827 -0.0980 3.0741 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1899 1.1216 1.9921 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7814 -1.4145 1.4805 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9680 -2.4435 -1.6897 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1633 -2.8659 -0.1658 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9220 -2.6034 -0.1449 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3132 1.0267 -1.4563 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0756 -0.5448 -2.3756 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4494 0.3298 -2.1421 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1475 -1.3874 -1.8273 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9006 -1.1489 0.3038 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4678 0.5094 -0.1143 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7575 2.5018 1.5985 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3050 2.1660 0.6520 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8825 2.2838 -0.1499 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9979 -0.5425 2.4806 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1172 -1.2689 -1.1553 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4901 1.6938 -0.8357 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4154 0.6462 -2.2787 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6910 1.8607 -1.8977 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7842 0.1006 -2.0779 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9262 1.7282 0.0391 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4621 1.7177 0.9617 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6880 0.8104 2.0054 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 2 0 2 4 1 0 4 5 1 0 5 6 1 0 6 7 1 1 6 8 1 0 8 9 1 0 9 10 1 0 10 11 1 0 11 12 1 0 12 13 1 0 13 14 1 6 13 15 1 0 15 16 1 0 16 17 1 0 17 18 1 0 18 19 1 0 18 20 1 1 20 21 2 0 13 22 1 0 22 23 1 0 23 24 1 0 24 25 1 0 25 26 1 0 25 6 1 0 22 9 1 0 26 9 1 0 18 12 1 0 1 27 1 0 1 28 1 0 1 29 1 0 5 30 1 0 5 31 1 0 7 32 1 0 8 33 1 0 8 34 1 0 10 35 1 0 10 36 1 0 11 37 1 0 11 38 1 0 12 39 1 0 14 40 1 0 14 41 1 0 14 42 1 0 15 43 1 0 15 44 1 0 16 45 1 0 16 46 1 0 17 47 1 0 17 48 1 0 19 49 1 0 19 50 1 0 19 51 1 0 20 52 1 0 22 53 1 0 23 54 1 0 23 55 1 0 24 56 1 0 24 57 1 0 25 58 1 6 26 59 1 0 26 60 1 0 M END