HMDB0035108 RDKit 3D Diosbulbin A 51 55 0 0 0 0 0 0 0 0999 V2000 6.1297 1.3929 0.7097 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9616 1.0306 0.0361 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8160 0.5640 0.6781 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8521 0.4724 1.9027 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6600 0.2194 -0.1731 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0339 -0.9542 -1.0151 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9584 -1.5495 -1.8442 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3350 -2.8435 -2.2055 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6338 -1.6476 -1.1247 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3187 -0.2800 -0.5002 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3866 -0.0540 0.5563 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0107 1.0931 1.4685 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3725 0.8448 2.0573 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2024 1.0652 0.8237 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5426 1.1114 1.0077 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0478 0.9675 -0.2828 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4220 0.4793 -0.3224 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9111 -0.4365 -1.2169 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2628 -0.6338 -0.9104 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5484 0.1350 0.1190 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.4926 0.8037 0.4921 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1476 -0.0223 -0.9870 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0642 -0.2364 0.0195 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3961 -1.3837 0.9506 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5473 2.1960 0.1991 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0215 3.0319 -0.5896 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7663 2.2138 0.6342 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8678 1.6936 1.7559 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9075 0.5893 0.7028 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6045 2.2497 0.1513 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4575 1.0696 -0.8742 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5725 -1.7355 -0.4031 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8359 -0.5932 -1.7257 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8462 -0.9866 -2.8053 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5156 -3.3204 -1.3464 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7637 -2.3672 -0.2879 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1364 -1.9320 -1.8430 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4394 0.4613 -1.3004 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4514 -0.9932 1.1444 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7628 1.2644 2.2189 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5763 1.5612 2.8630 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3690 -0.2028 2.4135 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0608 1.9712 -0.7918 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4435 -0.9601 -2.0347 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9192 -1.3052 -1.4465 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4108 1.5081 1.2977 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6299 -0.9774 -1.2408 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7547 0.5053 -1.8964 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5152 -1.9178 1.3204 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9952 -2.1094 0.3274 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0977 -1.0522 1.7443 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 3 5 1 0 5 6 1 0 6 7 1 0 7 8 1 0 7 9 1 0 9 10 1 0 10 11 1 0 11 12 1 0 12 13 1 0 13 14 1 0 14 15 1 0 15 16 1 0 16 17 1 0 17 18 1 0 18 19 2 0 19 20 1 0 20 21 1 0 16 22 1 0 22 23 1 0 23 24 1 0 14 25 1 0 25 26 2 0 25 27 1 0 11 5 1 0 27 12 1 0 23 10 1 0 23 14 1 0 21 17 2 0 1 28 1 0 1 29 1 0 1 30 1 0 5 31 1 0 6 32 1 0 6 33 1 0 7 34 1 0 8 35 1 0 9 36 1 0 9 37 1 0 10 38 1 0 11 39 1 0 12 40 1 0 13 41 1 0 13 42 1 0 16 43 1 0 18 44 1 0 19 45 1 0 21 46 1 0 22 47 1 0 22 48 1 0 24 49 1 0 24 50 1 0 24 51 1 0 M END