HMDB0304826 RDKit 3D Bromelains 34 33 0 0 0 0 0 0 0 0999 V2000 3.8274 0.8974 0.3903 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7103 -0.0306 -0.0050 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3581 0.4644 0.4189 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3526 -0.6242 -0.0782 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5375 -0.6370 -1.5523 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0218 -0.2602 0.4302 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1178 -1.2262 0.1098 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4786 -1.5454 -1.2716 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9995 -0.1886 1.9224 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6773 -1.3391 2.6754 O 0 0 0 0 0 1 0 0 0 0 0 0 -1.2613 0.8759 2.5490 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.6003 2.1101 1.9307 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8441 3.1089 2.6311 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6329 2.0982 0.5250 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.3768 1.0515 -0.1564 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4413 1.1807 -1.5712 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.0000 0.0000 Na 0 0 0 0 0 15 0 0 0 0 0 0 4.0652 1.5509 -0.4902 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7411 0.2582 0.5343 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6330 1.4675 1.3032 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7595 -0.1866 -1.0953 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8324 -1.0479 0.4479 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1054 1.4217 -0.0542 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2444 0.5504 1.5059 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6650 -1.5391 0.4578 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3005 -1.4163 -1.8081 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0250 0.3256 -1.9307 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3404 -0.8105 -2.1449 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9448 -2.2155 0.6356 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0810 -0.8612 0.6197 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6373 -0.6950 -1.9572 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9148 -2.4046 -1.7400 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5471 -2.0066 -1.2433 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2402 1.6734 -1.9886 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 4 6 1 0 6 7 1 0 7 8 1 0 6 9 1 0 9 10 1 0 9 11 2 0 11 12 1 0 12 13 2 0 12 14 1 0 14 15 2 0 15 16 1 0 15 6 1 0 1 18 1 0 1 19 1 0 1 20 1 0 2 21 1 0 2 22 1 0 3 23 1 0 3 24 1 0 4 25 1 0 5 26 1 0 5 27 1 0 5 28 1 0 7 29 1 0 7 30 1 0 8 31 1 0 8 32 1 0 8 33 1 0 16 34 1 0 M CHG 2 10 -1 17 1 M END