HMDB0030593 RDKit 3D Edulisin II 57 59 0 0 0 0 0 0 0 0999 V2000 -2.3055 -2.6076 -2.1084 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6876 -2.6586 -0.6861 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5478 -3.8030 -0.2380 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3260 -1.7740 0.2078 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4904 -0.6442 -0.1749 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1117 -0.5067 -1.3557 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0748 0.3236 0.7270 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2863 1.4212 0.4509 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8972 2.7192 0.8272 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2975 3.1196 1.9876 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6972 4.3135 2.5473 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6742 5.0855 1.9568 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2919 4.6901 0.7770 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2697 5.4468 0.1713 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8623 5.0142 -1.0090 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3938 3.8088 -1.4881 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8977 3.3719 -2.5549 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4628 3.1209 -0.8817 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8694 3.4911 0.2429 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6604 2.1527 2.3753 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0075 1.5018 1.1939 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7467 0.2259 1.3582 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0497 0.5335 2.0679 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0314 -0.8363 2.1056 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0067 -0.2793 0.0385 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6944 -1.4807 -0.1532 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0777 -2.1051 0.8527 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9124 -1.9143 -1.5290 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5545 -3.0383 -1.7692 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7548 -3.4430 -3.1892 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0692 -3.8875 -0.6896 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6534 -1.6908 -2.6308 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7381 -3.4876 -2.6220 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1836 -2.6535 -2.2427 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2115 -4.0485 -1.0864 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9334 -4.6571 0.1070 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2021 -3.4044 0.5628 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6637 -1.9071 1.2301 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0336 1.3964 -0.6495 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2296 4.6579 3.4814 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0013 6.0311 2.3861 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5665 6.3741 0.6243 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6318 5.5903 -1.5034 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6718 2.2004 0.6167 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8029 0.9767 1.4109 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8148 1.3051 2.8512 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4135 -0.3544 2.6290 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6739 -1.6757 1.4485 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7349 -1.3216 2.8121 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1929 -0.4520 2.7403 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5552 -1.3284 -2.3643 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9368 -2.5003 -3.7694 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6196 -4.1365 -3.2332 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8587 -3.9157 -3.6281 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5914 -4.7691 -1.1463 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8027 -3.3373 -0.0840 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2581 -4.2535 -0.0010 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 2 4 2 3 4 5 1 0 5 6 2 0 5 7 1 0 7 8 1 0 8 9 1 0 9 10 2 0 10 11 1 0 11 12 2 0 12 13 1 0 13 14 1 0 14 15 2 0 15 16 1 0 16 17 2 0 16 18 1 0 18 19 1 0 10 20 1 0 20 21 1 0 21 22 1 0 22 23 1 0 22 24 1 0 22 25 1 0 25 26 1 0 26 27 2 0 26 28 1 0 28 29 2 3 29 30 1 0 29 31 1 0 21 8 1 0 19 9 1 0 19 13 2 0 1 32 1 0 1 33 1 0 1 34 1 0 3 35 1 0 3 36 1 0 3 37 1 0 4 38 1 0 8 39 1 0 11 40 1 0 12 41 1 0 14 42 1 0 15 43 1 0 21 44 1 0 23 45 1 0 23 46 1 0 23 47 1 0 24 48 1 0 24 49 1 0 24 50 1 0 28 51 1 0 30 52 1 0 30 53 1 0 30 54 1 0 31 55 1 0 31 56 1 0 31 57 1 0 M END