HMDB0256819 RDKit 3D Propargite 50 51 0 0 0 0 0 0 0 0999 V2000 5.8303 4.1889 0.6587 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8264 3.0246 0.3510 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8316 1.6247 -0.0536 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5380 1.2756 -0.5175 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5072 -0.3071 -1.0526 S 0 0 0 0 0 4 0 0 0 0 0 0 5.8678 -0.9884 -0.9223 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2393 -1.2082 -0.5413 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7400 -0.9942 0.7365 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2111 -2.1991 1.5951 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0672 -3.4347 0.7342 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6628 -3.5952 0.2079 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0924 -2.3588 -0.3792 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2512 -1.1701 0.6389 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7015 -0.0804 -0.0670 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6519 0.2212 -0.0401 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5942 -0.5253 0.6534 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9448 -0.1906 0.6525 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4075 0.9034 -0.0431 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8311 1.3215 -0.1084 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2460 1.4136 -1.5763 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9417 2.6909 0.4917 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7505 0.3653 0.5652 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4629 1.6572 -0.7402 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1301 1.3140 -0.7299 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8541 5.2214 0.9323 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0080 1.0287 0.8922 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6193 1.4259 -0.7807 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0964 -0.0841 1.2061 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5856 -2.2773 2.4809 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2571 -2.0202 1.8208 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2890 -4.3094 1.3694 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7982 -3.4628 -0.1049 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6967 -4.3989 -0.5677 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0012 -3.9792 1.0123 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6451 -2.0219 -1.2649 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0039 -2.5007 -0.5372 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7214 -1.4785 1.5318 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2494 -1.3916 1.1976 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6736 -0.7727 1.1903 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3330 1.3784 -1.6870 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8348 0.4929 -2.0611 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7384 2.2833 -2.0034 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9859 3.0933 0.3930 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7114 2.6045 1.5843 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1818 3.3610 0.0292 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5120 -0.6579 0.2685 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7900 0.5839 0.2161 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7312 0.4902 1.6767 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8444 2.5321 -1.2933 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3961 1.9106 -1.2770 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 3 0 2 3 1 0 3 4 1 0 4 5 1 0 5 6 2 0 5 7 1 0 7 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 0 14 15 1 0 15 16 2 0 16 17 1 0 17 18 2 0 18 19 1 0 19 20 1 0 19 21 1 0 19 22 1 0 18 23 1 0 23 24 2 0 13 8 1 0 24 15 1 0 1 25 1 0 3 26 1 0 3 27 1 0 8 28 1 0 9 29 1 0 9 30 1 0 10 31 1 0 10 32 1 0 11 33 1 0 11 34 1 0 12 35 1 0 12 36 1 0 13 37 1 0 16 38 1 0 17 39 1 0 20 40 1 0 20 41 1 0 20 42 1 0 21 43 1 0 21 44 1 0 21 45 1 0 22 46 1 0 22 47 1 0 22 48 1 0 23 49 1 0 24 50 1 0 M END