HMDB0249207 RDKit 3D Bilin 37 40 0 0 0 0 0 0 0 0999 V2000 7.4091 -0.9490 -0.5606 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0761 -0.8847 -0.3633 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7015 0.5026 -0.4498 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5585 1.1155 -0.3388 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2577 0.5716 -0.0840 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2082 1.3783 -0.0072 N 0 0 0 0 0 0 0 0 0 0 0 0 1.0515 0.6195 0.2478 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2014 1.0744 0.3737 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2723 0.1572 0.6383 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3351 -0.8959 1.5299 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6033 -1.4524 1.3550 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2839 -0.7570 0.3893 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6399 -1.0774 -0.0384 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5062 -0.1059 -0.3602 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8855 -0.2458 -0.8031 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3153 0.9951 -0.9940 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2651 1.9602 -0.6922 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2258 1.2829 -0.3262 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.4540 0.2134 -0.0282 N 0 0 0 0 0 0 0 0 0 0 0 0 1.4856 -0.7597 0.3237 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8243 -0.7775 0.1215 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9332 1.2276 -0.7134 N 0 0 0 0 0 0 0 0 0 0 0 0 7.8899 0.3934 -0.7733 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9632 -1.8830 -0.5486 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4864 -1.7480 -0.1836 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5925 2.2322 -0.4596 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3691 2.1332 0.2705 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5830 -1.2274 2.2273 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9309 -2.3052 1.9316 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9208 -2.1110 -0.0878 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4331 -1.1784 -0.9427 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3297 1.2536 -1.3346 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3797 3.0340 -0.7736 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7398 0.8973 -0.7772 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9128 -1.6608 0.4966 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3862 -1.6698 0.1280 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9372 0.6467 -0.9598 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 2 3 4 5 1 0 5 6 2 0 6 7 1 0 7 8 2 3 8 9 1 0 9 10 2 0 10 11 1 0 11 12 2 0 12 13 1 0 13 14 2 3 14 15 1 0 15 16 2 0 16 17 1 0 17 18 2 0 12 19 1 0 7 20 1 0 20 21 2 0 3 22 1 0 22 23 2 0 23 1 1 0 21 5 1 0 19 9 1 0 18 14 1 0 1 24 1 0 2 25 1 0 4 26 1 0 8 27 1 0 10 28 1 0 11 29 1 0 13 30 1 0 15 31 1 0 16 32 1 0 17 33 1 0 19 34 1 0 20 35 1 0 21 36 1 0 23 37 1 0 M END