HMDB0251431 RDKit 3D Dioncophylline C 52 55 0 0 0 0 0 0 0 0999 V2000 5.4695 -1.4558 1.1959 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7349 -1.1624 0.0352 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5064 -0.5482 0.1026 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9798 -0.2110 1.3314 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7542 0.4034 1.4242 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1652 0.7768 2.7378 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0516 0.6807 0.2621 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2448 1.3301 0.3539 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3705 2.6952 0.3355 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6448 3.2741 0.4271 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7647 2.4757 0.5351 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0317 3.0745 0.6269 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6468 1.1193 0.5536 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3733 0.5644 0.4618 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2183 -0.9035 0.4853 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5209 -1.5000 -0.0088 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3387 -3.0004 -0.0862 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5940 -1.1142 0.8503 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.8827 0.2842 0.6675 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6633 0.4335 -0.6051 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5992 0.3328 -0.9719 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8937 0.6134 -2.1045 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4131 0.2796 -3.3360 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6613 -0.3468 -3.4416 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3792 -0.6331 -2.3022 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6087 -1.2432 -2.2938 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8235 -0.2809 -1.0657 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8387 -0.5352 1.6678 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8134 -1.9650 1.9308 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3095 -2.1268 0.8808 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5173 -0.4210 2.2551 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1347 0.4016 2.8606 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1952 1.9008 2.7883 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8239 0.3991 3.5296 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5204 3.2964 0.2503 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6741 4.3537 0.4069 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8690 2.5234 0.7121 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0493 -1.2986 1.5160 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4298 -1.2620 -0.2068 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6527 -1.1421 -1.0377 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2897 -3.5415 -0.0702 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7738 -3.2179 -1.0150 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6555 -3.3308 0.7493 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3782 -1.3758 1.8318 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5240 0.6317 1.5059 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5569 -0.4945 -1.2427 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7424 0.5947 -0.3834 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3328 1.2608 -1.2501 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0631 1.0911 -2.0644 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9068 0.4733 -4.2739 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0698 -0.6091 -4.4076 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1153 -1.5446 -3.1036 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 1 0 5 7 2 0 7 8 1 0 8 9 2 0 9 10 1 0 10 11 2 0 11 12 1 0 11 13 1 0 13 14 2 0 14 15 1 0 15 16 1 0 16 17 1 0 16 18 1 0 18 19 1 0 19 20 1 0 7 21 1 0 21 22 2 0 22 23 1 0 23 24 2 0 24 25 1 0 25 26 1 0 25 27 2 0 27 3 1 0 14 8 1 0 27 21 1 0 19 13 1 0 1 28 1 0 1 29 1 0 1 30 1 0 4 31 1 0 6 32 1 0 6 33 1 0 6 34 1 0 9 35 1 0 10 36 1 0 12 37 1 0 15 38 1 0 15 39 1 0 16 40 1 0 17 41 1 0 17 42 1 0 17 43 1 0 18 44 1 0 19 45 1 0 20 46 1 0 20 47 1 0 20 48 1 0 22 49 1 0 23 50 1 0 24 51 1 0 26 52 1 0 M END