HMDB0249262 RDKit 3D Bisacodyl 46 48 0 0 0 0 0 0 0 0999 V2000 6.8417 2.4517 0.0359 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6695 1.5847 0.3251 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7664 0.5121 0.9874 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4210 1.9615 -0.1465 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2692 1.2085 0.0784 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8538 0.2199 -0.7884 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7128 -0.5133 -0.5489 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9302 -0.2918 0.5729 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2852 -1.0630 0.8407 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4448 -0.3851 0.2258 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6931 -0.4014 -1.1243 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7938 0.2327 -1.7117 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6759 0.9078 -0.9113 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7696 1.5437 -1.4509 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.7748 2.8464 -1.8789 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9556 3.5331 -2.4615 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7046 3.5102 -1.7720 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4469 0.9372 0.4406 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3632 0.3128 1.0205 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2632 -2.4715 0.4488 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2968 -3.3587 1.3785 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3934 -4.7006 1.1732 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0945 -5.1987 -0.0277 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6417 -4.2921 -0.9238 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7183 -2.9764 -0.6836 N 0 0 0 0 0 0 0 0 0 0 0 0 1.3526 0.6994 1.4357 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4950 1.4376 1.2012 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4845 3.5102 0.1764 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1984 2.3083 -1.0221 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6642 2.3069 0.7630 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4493 0.0189 -1.6848 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3643 -1.3018 -1.2218 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4421 -1.0306 1.9622 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9934 -0.9326 -1.7869 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9233 0.1767 -2.7770 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9079 4.5971 -2.1495 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9986 3.4431 -3.5692 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8973 3.1005 -2.0482 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1420 1.4736 1.1047 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1745 0.3321 2.0971 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6876 -2.9775 2.3348 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8185 -5.3998 1.8706 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0624 -6.2461 -0.2810 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0211 -4.7126 -1.8676 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7399 0.8811 2.3247 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7787 2.2055 1.9157 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 2 0 6 7 1 0 7 8 2 0 8 9 1 0 9 10 1 0 10 11 2 0 11 12 1 0 12 13 2 0 13 14 1 0 14 15 1 0 15 16 1 0 15 17 2 0 13 18 1 0 18 19 2 0 9 20 1 0 20 21 2 0 21 22 1 0 22 23 2 0 23 24 1 0 24 25 2 0 8 26 1 0 26 27 2 0 27 5 1 0 19 10 1 0 25 20 1 0 1 28 1 0 1 29 1 0 1 30 1 0 6 31 1 0 7 32 1 0 9 33 1 0 11 34 1 0 12 35 1 0 16 36 1 0 16 37 1 0 16 38 1 0 18 39 1 0 19 40 1 0 21 41 1 0 22 42 1 0 23 43 1 0 24 44 1 0 26 45 1 0 27 46 1 0 M END