HMDB0035766 RDKit 3D Ascaridole 28 29 0 0 0 0 0 0 0 0999 V2000 -2.4593 0.3524 -1.0363 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9626 -0.2616 0.2788 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6192 0.4552 1.4054 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4878 -0.2161 0.2649 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0550 1.1830 0.1504 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3977 1.2082 0.1640 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9892 -0.1786 0.2725 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4614 -0.1074 0.4179 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5674 -0.8948 -1.0023 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0385 -0.9834 -0.9308 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3897 -0.8225 1.3233 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1096 -0.7645 1.3885 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5664 -0.4012 -1.8189 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7339 1.1246 -1.3163 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4828 0.7793 -0.8550 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3245 -1.3090 0.2610 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7516 1.5526 1.2270 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6610 0.0334 1.5083 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1310 0.2974 2.3853 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5660 2.0637 0.0670 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0007 2.0890 0.1064 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8404 -0.9963 0.9713 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9200 -0.0953 -0.6080 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7812 0.8220 0.9058 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9913 -1.9186 -0.9953 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8888 -0.3119 -1.8788 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4158 -0.6430 -1.8718 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2690 -2.0562 -0.7842 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 2 4 1 0 4 5 1 0 5 6 2 0 6 7 1 0 7 8 1 0 7 9 1 0 9 10 1 0 7 11 1 0 11 12 1 0 10 4 1 0 12 4 1 0 1 13 1 0 1 14 1 0 1 15 1 0 2 16 1 0 3 17 1 0 3 18 1 0 3 19 1 0 5 20 1 0 6 21 1 0 8 22 1 0 8 23 1 0 8 24 1 0 9 25 1 0 9 26 1 0 10 27 1 0 10 28 1 0 M END