HMDB0036202 RDKit 3D Alkhanin 39 41 0 0 0 0 0 0 0 0999 V2000 -0.4840 3.0886 -0.1551 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1934 1.7976 -0.1040 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4881 0.6932 0.0534 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9451 0.7322 0.1746 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6663 1.5149 -0.7361 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9692 1.0309 -0.6893 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9535 1.6655 -1.1385 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9871 -0.3102 -0.0424 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8548 -1.2898 -0.7793 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4970 -0.6575 -0.1872 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0236 -1.7013 0.7430 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4239 -1.5762 1.0567 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1634 -0.6283 0.1124 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2890 -1.1931 -1.2639 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5479 -0.4451 0.7553 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3646 -0.1200 2.0850 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3786 0.5305 -0.0067 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6495 1.7893 -0.2270 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3117 2.8198 -0.5152 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1887 3.9522 -0.0965 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2124 3.2261 0.7115 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0403 3.1881 -1.1256 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3119 1.0174 1.1965 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2550 -0.1877 1.0053 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7821 -1.4347 -0.1870 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3261 -2.2624 -0.7894 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1354 -0.9348 -1.7834 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2936 -0.8348 -1.2413 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1956 -2.6999 0.2449 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5926 -1.7533 1.6879 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9278 -2.5589 0.9685 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6071 -1.1857 2.0802 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7087 -2.1380 -1.4084 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9453 -0.4409 -2.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3728 -1.3592 -1.4746 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0073 -1.4661 0.7285 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9577 -0.6574 2.6900 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7415 0.0555 -0.9421 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2907 0.7335 0.5992 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 1 0 5 6 1 0 6 7 2 0 6 8 1 0 8 9 1 0 8 10 1 0 10 11 1 0 11 12 1 0 12 13 1 0 13 14 1 0 13 15 1 0 15 16 1 0 15 17 1 0 17 18 1 0 18 19 2 0 18 2 1 0 13 3 1 0 10 4 1 0 1 20 1 0 1 21 1 0 1 22 1 0 4 23 1 0 8 24 1 0 9 25 1 0 9 26 1 0 9 27 1 0 10 28 1 0 11 29 1 0 11 30 1 0 12 31 1 0 12 32 1 0 14 33 1 0 14 34 1 0 14 35 1 0 15 36 1 0 16 37 1 0 17 38 1 0 17 39 1 0 M END