HMDB0302864 RDKit 3D Proazulene 44 46 0 0 0 0 0 0 0 0999 V2000 -5.0846 -0.5799 0.6206 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6194 -0.6658 0.8545 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1283 -0.8863 1.9979 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7073 -0.5086 -0.1694 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3002 -0.5791 -0.0109 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.6777 -1.7082 -0.7275 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7330 -1.6138 -1.0864 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1964 -2.8155 -1.8775 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7215 -0.7650 -0.9105 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1083 -0.8767 -1.3745 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9001 -0.1717 -0.5749 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0682 0.4560 0.4819 C 0 0 1 0 0 0 0 0 0 0 0 0 3.0221 -0.5269 1.6397 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5482 1.6954 0.8800 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7367 0.5402 -0.2027 C 0 0 2 0 0 0 0 0 0 0 0 0 0.5795 0.7963 0.6658 C 0 0 1 0 0 0 0 0 0 0 0 0 0.6669 2.1394 1.1356 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6012 2.6869 1.1729 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9053 3.7095 1.8209 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4969 1.8646 0.3325 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.0379 2.7818 -0.7592 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6503 0.7642 -0.2506 C 0 0 2 0 0 0 0 0 0 0 0 0 -5.4531 0.4571 0.5610 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3062 -1.0992 -0.3377 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6603 -1.1185 1.4014 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1612 -0.7813 1.0955 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2554 -1.8875 -1.6813 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8197 -2.6916 -0.1804 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1866 -2.5975 -2.9627 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2480 -3.0409 -1.6010 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5977 -3.7017 -1.6522 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3769 -1.4735 -2.2576 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9666 -0.1036 -0.7198 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0544 -0.6239 2.0211 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3778 -0.2054 2.4578 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7009 -1.5079 1.2130 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0631 1.5630 1.7096 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8370 1.3908 -0.9432 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4698 0.1614 1.5388 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3283 1.5239 0.9455 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4856 3.6552 -0.2350 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8524 2.2690 -1.3085 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2432 3.1471 -1.4223 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3855 0.9285 -1.3005 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 2 0 2 4 1 0 4 5 1 0 5 6 1 0 6 7 1 0 7 8 1 0 7 9 2 0 9 10 1 0 10 11 2 0 11 12 1 0 12 13 1 0 12 14 1 1 12 15 1 0 15 16 1 0 16 17 1 0 17 18 1 0 18 19 2 0 18 20 1 0 20 21 1 0 20 22 1 0 22 5 1 0 15 9 1 0 22 16 1 0 1 23 1 0 1 24 1 0 1 25 1 0 5 26 1 1 6 27 1 0 6 28 1 0 8 29 1 0 8 30 1 0 8 31 1 0 10 32 1 0 11 33 1 0 13 34 1 0 13 35 1 0 13 36 1 0 14 37 1 0 15 38 1 6 16 39 1 1 20 40 1 1 21 41 1 0 21 42 1 0 21 43 1 0 22 44 1 6 M END