HMDB0257305 RDKit 3D ROQUINIMEX 39 41 0 0 0 0 0 0 0 0999 V2000 2.0388 1.9143 -0.8571 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0051 0.5925 -0.2971 N 0 0 0 0 0 0 0 0 0 0 0 0 0.9299 -0.1757 0.1545 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2404 -1.2298 0.8913 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4820 -0.0191 -0.0399 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3867 -0.6873 0.8350 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8259 -1.4088 1.8680 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7421 -0.6288 0.6776 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6211 -1.2882 1.5409 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9818 -1.1967 1.3363 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5065 -0.4664 0.2945 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6436 0.1912 -0.5673 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2785 0.0931 -0.3533 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4635 0.7386 -1.2023 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.0039 1.5169 -2.3001 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1074 0.6741 -1.0382 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4223 1.3045 -1.8872 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3341 0.0171 -0.1209 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7238 -0.3857 1.1264 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9868 -0.9420 1.3389 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8573 -1.0925 0.2923 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4782 -0.6917 -0.9673 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2124 -0.1377 -1.1611 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2664 2.6033 -0.4501 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1071 1.8888 -1.9621 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0049 2.4288 -0.5149 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2939 -1.9238 2.5551 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2394 -1.8622 2.3592 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6850 -1.6980 1.9920 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5624 -0.3637 0.0917 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9798 0.7740 -1.3937 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1793 2.1050 -2.7421 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3946 0.8250 -3.0462 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7399 2.2715 -1.9483 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0818 -0.2931 1.9821 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3248 -1.2686 2.3096 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8488 -1.5325 0.4748 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1842 -0.8231 -1.7726 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9151 0.1766 -2.1507 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 2 0 3 5 1 0 5 6 2 0 6 7 1 0 6 8 1 0 8 9 2 0 9 10 1 0 10 11 2 0 11 12 1 0 12 13 2 0 13 14 1 0 14 15 1 0 14 16 1 0 16 17 2 0 2 18 1 0 18 19 2 0 19 20 1 0 20 21 2 0 21 22 1 0 22 23 2 0 16 5 1 0 23 18 1 0 13 8 1 0 1 24 1 0 1 25 1 0 1 26 1 0 7 27 1 0 9 28 1 0 10 29 1 0 11 30 1 0 12 31 1 0 15 32 1 0 15 33 1 0 15 34 1 0 19 35 1 0 20 36 1 0 21 37 1 0 22 38 1 0 23 39 1 0 M END