HMDB0254471 RDKit 3D Mertiatide 30 29 0 0 0 0 0 0 0 0999 V2000 5.3528 1.7822 2.3390 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3576 1.9650 1.0816 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5030 2.5215 0.4821 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2167 1.6208 0.2186 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1527 1.0697 1.0127 N 0 0 0 0 0 0 0 0 0 0 0 0 1.9194 0.6437 0.4544 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7972 0.7743 -0.8026 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8837 0.0936 1.3225 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3193 -0.3000 0.6258 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.0945 0.6188 -0.1191 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7521 1.8475 -0.2026 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3334 0.3103 -0.8611 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7720 -1.0487 -0.8083 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.9538 -1.4079 -1.4997 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6119 -0.5591 -2.1493 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.4406 -2.8332 -1.4621 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9643 -2.9792 -2.4334 S 0 0 0 0 0 0 0 0 0 0 0 0 6.8917 3.3891 0.8428 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8713 2.5088 -0.3468 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5567 0.8426 -0.4956 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2857 0.9766 2.0400 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2610 -0.7280 1.9638 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5897 0.9100 2.0457 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6190 -1.2854 0.6761 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1591 0.9923 -0.4865 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1460 0.5350 -1.9402 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2507 -1.7593 -0.2840 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6843 -3.5030 -1.9121 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6836 -3.1308 -0.4252 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8546 -3.8674 -1.8044 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 2 4 1 0 4 5 1 0 5 6 1 0 6 7 2 0 6 8 1 0 8 9 1 0 9 10 1 0 10 11 2 0 10 12 1 0 12 13 1 0 13 14 1 0 14 15 2 0 14 16 1 0 16 17 1 0 3 18 1 0 4 19 1 0 4 20 1 0 5 21 1 0 8 22 1 0 8 23 1 0 9 24 1 0 12 25 1 0 12 26 1 0 13 27 1 0 16 28 1 0 16 29 1 0 17 30 1 0 M END