HMDB0242214 RDKit 3D (-)-Kawain 31 32 0 0 0 0 0 0 0 0999 V2000 4.1439 1.7022 1.3240 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7961 1.3129 1.1329 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4372 0.3715 0.1604 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1937 -0.6755 -0.0942 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8154 -1.6392 -1.0981 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5476 -2.6512 -1.3430 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6513 -1.4692 -1.8031 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5928 -0.7150 -1.1338 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0263 -1.5321 -0.0923 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1427 -1.4696 0.5376 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2644 -0.5737 0.4945 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3875 0.5299 -0.3023 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5124 1.3697 -0.3057 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5664 1.0982 0.5247 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4715 -0.0044 1.3374 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3713 -0.8153 1.3323 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1815 0.5624 -0.5924 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2003 2.4513 2.1381 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5999 2.1363 0.4123 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7538 0.8166 1.5943 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1150 -0.7751 0.4898 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1465 -0.4938 -1.9238 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6205 -2.4028 0.2260 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2573 -2.3199 1.2987 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6130 0.8023 -0.9658 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5795 2.2359 -0.9484 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4390 1.7489 0.5227 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3333 -0.2031 1.9980 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3420 -1.6718 1.9894 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3512 1.2945 -1.4073 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4528 0.9793 0.1454 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 4 5 1 0 5 6 2 0 5 7 1 0 7 8 1 0 8 9 1 0 9 10 2 3 10 11 1 0 11 12 2 0 12 13 1 0 13 14 2 0 14 15 1 0 15 16 2 0 8 17 1 0 17 3 1 0 16 11 1 0 1 18 1 0 1 19 1 0 1 20 1 0 4 21 1 0 8 22 1 0 9 23 1 0 10 24 1 0 12 25 1 0 13 26 1 0 14 27 1 0 15 28 1 0 16 29 1 0 17 30 1 0 17 31 1 0 M END