HMDB0249648 RDKit 3D Carboxin 29 30 0 0 0 0 0 0 0 0999 V2000 -0.4151 2.7893 -2.4200 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2916 1.6950 -1.8458 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7494 0.8860 -0.9808 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6829 1.0359 -0.5779 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3245 1.9678 -1.0936 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1857 0.1295 0.3397 N 0 0 0 0 0 0 0 0 0 0 0 0 1.6630 -0.7310 1.2107 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5230 -0.5118 2.2584 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9897 -1.4205 3.1423 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5506 -2.7395 2.9759 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6907 -3.0301 1.9460 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2467 -2.1050 1.0891 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7360 -0.4064 -0.2411 S 0 0 0 0 0 0 0 0 0 0 0 0 -3.4635 0.1628 -0.5440 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4250 0.4830 -2.0548 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6027 1.5959 -2.2515 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0950 3.3738 -3.1130 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3744 2.3945 -3.0587 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1452 3.5206 -1.6551 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4606 0.6436 0.1248 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8873 0.5320 2.4031 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6657 -1.2458 3.9694 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8960 -3.4801 3.6518 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3852 -4.0864 1.8691 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5692 -2.2977 0.2687 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5894 1.1565 -0.0492 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2059 -0.5820 -0.2955 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9670 -0.3851 -2.6104 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4096 0.6551 -2.4576 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 2 0 3 4 1 0 4 5 2 0 4 6 1 0 6 7 1 0 7 8 2 0 8 9 1 0 9 10 2 0 10 11 1 0 11 12 2 0 3 13 1 0 13 14 1 0 14 15 1 0 15 16 1 0 16 2 1 0 12 7 1 0 1 17 1 0 1 18 1 0 1 19 1 0 6 20 1 0 8 21 1 0 9 22 1 0 10 23 1 0 11 24 1 0 12 25 1 0 14 26 1 0 14 27 1 0 15 28 1 0 15 29 1 0 M END