HMDB0037336 RDKit 3D Sudachiin A 63 66 0 0 0 0 0 0 0 0999 V2000 0.6324 -0.5897 5.0610 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4037 -0.8095 4.1209 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2363 -0.5940 2.7622 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9816 -0.1502 2.2509 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1188 0.0483 0.9080 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3643 0.5376 0.2967 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4669 0.9339 0.9976 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6452 1.3996 0.4956 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6178 1.7508 1.1981 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7133 1.4701 -0.8872 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8868 1.9372 -1.4596 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8927 2.3051 -0.6019 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9583 2.0041 -2.8366 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1521 2.4793 -3.4252 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1980 1.5685 -3.7375 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8820 1.6130 -3.5979 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9490 1.6740 -5.0002 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7086 1.1474 -2.9835 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6797 0.7762 -3.7908 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6360 1.5471 -4.2891 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6098 1.0709 -1.5959 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4960 0.6291 -1.0262 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0214 -0.2022 0.0765 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1796 -0.6417 0.6155 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3300 -0.8433 1.9595 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5331 -1.2673 2.5053 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7444 -1.3068 1.8532 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3406 -2.5201 1.6217 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.1491 -2.3729 0.4715 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8789 -3.6893 0.2532 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7003 -3.9962 1.3240 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.1934 -1.3080 0.6149 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6173 -0.9883 -0.6971 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.6643 0.0046 1.1846 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7469 0.7210 1.6653 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.8067 -0.3575 2.4019 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6668 -0.9589 3.2950 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6018 -0.9682 4.7526 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2856 -1.0399 6.0066 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7322 0.5269 5.1401 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7809 0.0281 2.9263 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3988 0.8776 2.1064 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7786 2.6775 -0.7501 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1475 0.6521 -3.1057 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0533 1.2518 -4.7938 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1887 2.0464 -3.5771 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7768 2.0026 -5.4583 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0795 0.9408 -5.0385 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9386 2.4779 -4.7771 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9241 1.7460 -3.4309 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1360 -0.0451 -0.9750 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9699 -0.8184 -0.1250 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5445 -0.8765 0.8130 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5456 -2.1753 -0.4186 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4540 -3.7003 -0.6660 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1014 -4.4941 0.1467 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3321 -3.5817 2.1513 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0720 -1.6255 1.2051 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5750 -0.7706 -0.7287 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0773 0.5474 0.4479 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2268 1.1698 0.9208 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3825 0.5290 2.8518 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9605 -0.4004 4.0499 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 1 0 6 7 2 0 7 8 1 0 8 9 2 0 8 10 1 0 10 11 2 0 11 12 1 0 11 13 1 0 13 14 1 0 14 15 1 0 13 16 2 0 16 17 1 0 16 18 1 0 18 19 1 0 19 20 1 0 18 21 2 0 21 22 1 0 5 23 2 0 23 24 1 0 24 25 2 0 25 26 1 0 26 27 1 0 27 28 1 0 28 29 1 0 29 30 1 0 30 31 1 0 29 32 1 0 32 33 1 0 32 34 1 0 34 35 1 0 34 36 1 0 36 37 1 0 25 3 1 0 36 27 1 0 22 6 1 0 21 10 1 0 1 38 1 0 1 39 1 0 1 40 1 0 4 41 1 0 7 42 1 0 12 43 1 0 15 44 1 0 15 45 1 0 15 46 1 0 17 47 1 0 20 48 1 0 20 49 1 0 20 50 1 0 23 51 1 0 24 52 1 0 27 53 1 0 29 54 1 0 30 55 1 0 30 56 1 0 31 57 1 0 32 58 1 0 33 59 1 0 34 60 1 0 35 61 1 0 36 62 1 0 37 63 1 0 M END