HMDB0002034 RDKit 3D Homolanthionine 33 32 0 0 0 0 0 0 0 0999 V2000 -4.2079 -0.4481 -0.6122 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.3852 -0.4431 0.5878 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0828 0.2738 0.2262 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4541 -0.5084 -0.8827 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0695 0.1536 -1.4521 S 0 0 0 0 0 6 0 0 0 0 0 0 0.6037 -0.7450 -2.5309 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1225 1.5144 -2.0388 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3063 0.2340 -0.1799 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5399 0.8184 -0.8248 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7087 0.9848 0.0846 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7829 1.5577 -0.7195 N 0 0 0 0 0 0 0 0 0 0 0 0 4.1496 -0.2808 0.6976 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2915 -0.7220 0.4141 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3387 -0.9791 1.5675 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.0760 0.1818 1.7054 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5256 0.2785 2.8231 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.3535 0.6795 1.5497 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.1496 -0.8595 -0.3482 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4315 0.5550 -0.8698 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1276 -1.5211 0.7789 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3740 1.3030 -0.0576 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4715 0.2916 1.1417 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3653 -1.5564 -0.5560 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1605 -0.5044 -1.7378 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0115 0.8860 0.6417 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5526 -0.8098 0.1322 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8246 0.2453 -1.7523 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2597 1.8534 -1.1824 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4371 1.7481 0.8503 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6709 1.3595 -0.1801 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8124 1.1700 -1.6732 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0742 -0.5629 2.4282 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1462 0.1752 1.9694 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 1 0 4 5 1 0 5 6 2 0 5 7 2 0 5 8 1 0 8 9 1 0 9 10 1 0 10 11 1 0 10 12 1 0 12 13 2 0 12 14 1 0 2 15 1 0 15 16 2 0 15 17 1 0 1 18 1 0 1 19 1 0 2 20 1 0 3 21 1 0 3 22 1 0 4 23 1 0 4 24 1 0 8 25 1 0 8 26 1 0 9 27 1 0 9 28 1 0 10 29 1 0 11 30 1 0 11 31 1 0 14 32 1 0 17 33 1 0 M END