HMDB0253633 RDKit 3D Isofebrifugine 41 44 0 0 0 0 0 0 0 0999 V2000 1.8714 1.0982 -1.9462 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1074 0.1917 -1.0967 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0786 0.4291 -0.1355 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7860 1.6126 -0.0801 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7475 1.8482 0.8713 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0413 0.8867 1.8213 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3523 -0.3076 1.7938 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3822 -0.5212 0.8186 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6920 -1.6739 0.7634 N 0 0 0 0 0 0 0 0 0 0 0 0 1.7483 -1.9034 -0.1715 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4324 -0.9822 -1.1210 N 0 0 0 0 0 0 0 0 0 0 0 0 0.4249 -1.2596 -2.0929 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9614 -0.8752 -1.7003 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8482 -1.1999 -2.7425 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1473 0.5949 -1.4080 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5661 0.5578 -0.8159 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6655 1.5460 0.1912 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.6242 1.2990 1.2207 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1598 0.0220 1.9357 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2809 -1.0871 0.9518 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6614 -0.8563 -0.3676 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3777 -1.4364 -0.4954 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5489 2.3560 -0.8260 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2811 2.8045 0.8726 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7963 1.0752 2.5660 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5502 -1.0906 2.5201 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1928 -2.8353 -0.2133 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3934 -2.3325 -2.3996 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6412 -0.7080 -3.0548 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4943 -0.7254 -3.5441 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4855 0.9241 -0.5643 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0785 1.2412 -2.2816 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2762 0.8078 -1.6385 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7859 1.9477 0.5382 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6274 1.1257 0.7857 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6496 2.1530 1.8999 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0870 0.1846 2.2233 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7976 -0.1469 2.7992 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8342 -2.0279 1.3850 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3777 -1.3317 0.8571 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2816 -1.4050 -1.1380 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 6 7 1 0 7 8 2 0 8 9 1 0 9 10 2 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 16 17 1 0 17 18 1 0 18 19 1 0 19 20 1 0 20 21 1 0 21 22 1 0 11 2 1 0 22 13 1 0 8 3 1 0 21 16 1 0 4 23 1 0 5 24 1 0 6 25 1 0 7 26 1 0 10 27 1 0 12 28 1 0 12 29 1 0 14 30 1 0 15 31 1 0 15 32 1 0 16 33 1 0 17 34 1 0 18 35 1 0 18 36 1 0 19 37 1 0 19 38 1 0 20 39 1 0 20 40 1 0 21 41 1 0 M END