HMDB0011717 RDKit 3D Nonate 29 28 0 0 0 0 0 0 0 0999 V2000 -2.5864 1.4194 -0.0522 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6764 0.1178 -0.8338 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2088 -0.9962 0.0382 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7909 -0.8378 0.5212 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1239 -0.7871 -0.6464 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5721 -0.6410 -0.3041 C 0 0 1 0 0 0 0 0 0 0 0 0 1.9292 0.5734 0.4590 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6051 1.8396 -0.2444 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0871 1.9135 -1.3697 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9242 3.0203 0.4495 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0879 -1.8674 0.3490 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3265 -2.8331 0.5261 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4050 -1.9571 0.7659 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9600 1.2001 0.9697 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5397 1.7386 0.0179 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2587 2.1954 -0.4657 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7639 -0.0253 -1.0686 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1621 0.1945 -1.7909 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9221 -1.0917 0.9105 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3417 -1.9766 -0.5014 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7074 0.1319 1.0615 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5961 -1.7010 1.1956 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2292 -0.0078 -1.3508 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0038 -1.7568 -1.2081 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1211 -0.5792 -1.2906 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4729 0.6454 1.4624 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0330 0.5977 0.6334 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8762 3.1724 0.7631 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1756 -1.7017 0.1731 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 1 0 4 5 1 0 5 6 1 0 6 7 1 0 7 8 1 0 8 9 2 0 8 10 1 0 6 11 1 0 11 12 2 0 11 13 1 0 1 14 1 0 1 15 1 0 1 16 1 0 2 17 1 0 2 18 1 0 3 19 1 0 3 20 1 0 4 21 1 0 4 22 1 0 5 23 1 0 5 24 1 0 6 25 1 6 7 26 1 0 7 27 1 0 10 28 1 0 13 29 1 0 M END