HMDB0252184 RDKit 3D Febrifugine 41 43 0 0 0 0 0 0 0 0999 V2000 -0.0359 1.0761 -0.9475 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2301 0.1996 -0.1603 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3278 0.3221 0.8659 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6270 -0.1224 0.1965 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9131 0.7050 -0.9106 N 0 0 0 0 0 0 0 0 0 0 0 0 4.2815 1.1350 -1.0217 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1549 -0.0803 -0.7488 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0778 -0.2969 0.7548 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6552 -0.2829 1.2476 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4426 -1.5463 1.8538 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5533 -1.0628 -0.1974 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9182 -0.7733 0.1740 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.3873 -0.8186 1.4305 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6928 -0.5387 1.6449 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.5481 -0.2171 0.6642 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8803 0.0639 0.8724 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7615 0.3892 -0.1356 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2944 0.4383 -1.4197 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9473 0.1575 -1.6539 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0875 -0.1650 -0.6334 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7571 -0.4514 -0.8405 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3369 -0.4043 -2.0133 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4243 1.3982 1.1137 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0970 -0.2732 1.7657 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3659 -1.1432 -0.2264 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2275 1.4157 -1.1683 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5374 1.8961 -0.2316 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4784 1.5588 -2.0044 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6673 -0.9394 -1.2682 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1968 0.0756 -1.0439 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6007 0.5747 1.2050 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6303 -1.2203 1.0107 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5320 0.4453 2.0849 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5685 -2.2303 1.1216 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4994 -1.5824 -1.1730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1166 -1.8078 0.5326 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7137 -1.0767 2.2339 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2489 0.0223 1.8959 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8178 0.6100 0.0507 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9108 0.6829 -2.2736 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5286 0.1837 -2.6473 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 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 1 0 9 10 1 0 2 11 1 0 11 12 1 0 12 13 1 0 13 14 2 0 14 15 1 0 15 16 2 0 16 17 1 0 17 18 2 0 18 19 1 0 19 20 2 0 20 21 1 0 21 22 2 0 9 4 1 0 21 12 1 0 20 15 1 0 3 23 1 0 3 24 1 0 4 25 1 0 5 26 1 0 6 27 1 0 6 28 1 0 7 29 1 0 7 30 1 0 8 31 1 0 8 32 1 0 9 33 1 0 10 34 1 0 11 35 1 0 11 36 1 0 13 37 1 0 16 38 1 0 17 39 1 0 18 40 1 0 19 41 1 0 M END