HMDB0035020 RDKit 3D Acolamone 40 41 0 0 0 0 0 0 0 0999 V2000 1.0256 3.0240 0.2011 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4984 1.8161 -0.0282 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9408 1.5768 0.1536 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4906 0.3874 -0.5190 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4881 -0.5688 -1.0764 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2282 -0.5830 -0.2341 C 0 0 2 0 0 0 0 0 0 0 0 0 1.6618 -0.6799 1.2127 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3259 -1.7314 -0.5685 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0604 -1.4064 -0.9445 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6811 -0.2489 -0.2213 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.6477 -0.6682 0.8575 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7496 -1.4712 0.1979 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3018 0.6100 1.3845 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6887 0.7127 0.2950 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8649 1.4170 1.2476 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5832 0.7609 -0.4556 C 0 0 1 0 0 0 0 0 0 0 0 0 1.6854 3.8097 0.5135 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0182 3.2349 0.0767 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1443 1.5147 1.2410 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4670 2.5255 -0.1684 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1064 0.7473 -1.3970 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2289 -0.2004 0.0876 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1687 -0.1761 -2.0840 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9436 -1.5663 -1.1697 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2643 0.1575 1.8224 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1987 -1.6102 1.6568 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7482 -0.8431 1.3257 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8074 -2.2738 -1.4360 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3303 -2.4835 0.2591 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7059 -2.3058 -0.7145 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1317 -1.2960 -2.0538 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2974 0.3144 -0.9835 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1652 -1.1844 1.6897 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7754 -1.2874 -0.9027 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5206 -2.5405 0.3829 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7146 -1.2112 0.6476 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8629 0.9220 2.3553 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4118 0.4983 1.4422 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1334 1.4656 0.6859 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3955 0.8416 -1.5580 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 3 2 3 1 0 3 4 1 0 4 5 1 0 5 6 1 0 6 7 1 1 6 8 1 0 8 9 1 0 9 10 1 0 10 11 1 0 11 12 1 0 11 13 1 0 10 14 1 0 14 15 2 0 14 16 1 0 16 2 1 0 16 6 1 0 1 17 1 0 1 18 1 0 3 19 1 0 3 20 1 0 4 21 1 0 4 22 1 0 5 23 1 0 5 24 1 0 7 25 1 0 7 26 1 0 7 27 1 0 8 28 1 0 8 29 1 0 9 30 1 0 9 31 1 0 10 32 1 6 11 33 1 0 12 34 1 0 12 35 1 0 12 36 1 0 13 37 1 0 13 38 1 0 13 39 1 0 16 40 1 6 M END