HMDB0251317 RDKit 3D Dihydroisocodeine 45 49 0 0 0 0 0 0 0 0999 V2000 5.3700 -1.1970 -0.9812 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2368 -0.4064 -0.8339 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9947 -0.8539 -0.4356 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7736 -2.1926 -0.1382 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5011 -2.6373 0.2687 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4629 -1.7291 0.3712 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7828 -0.4570 0.0573 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9634 0.0823 -0.3399 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7743 1.4635 -0.5321 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7122 1.7960 0.3669 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0733 2.9820 0.1178 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6767 4.1234 0.4899 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3255 2.9570 0.9332 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9572 1.6710 1.2575 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0915 0.4750 1.3003 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7893 -0.8444 1.0450 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9040 -2.0094 0.8347 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6466 -0.5837 -0.1151 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.7056 -1.5387 -0.2305 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8468 -0.4761 -1.3213 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9460 0.7288 -1.1793 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1934 0.6122 0.0835 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5706 -1.4682 -2.0515 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2485 -0.5800 -0.6299 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3880 -2.0977 -0.3208 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5344 -2.9417 -0.1991 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3026 -3.6702 0.5064 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1243 1.7639 1.3780 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2837 3.1527 -0.9774 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6069 3.9809 0.1576 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1339 3.5338 1.8863 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0777 3.5961 0.3824 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7983 1.4666 0.5309 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4766 1.7629 2.2464 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5060 0.4228 2.2190 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4699 -1.0495 1.8917 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8013 -2.5902 1.7960 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3522 -2.7386 0.1185 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5776 -1.1316 0.3578 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3931 -2.5252 0.1720 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0469 -1.5913 -1.2868 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2602 -1.3854 -1.5111 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5331 -0.3029 -2.1557 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6002 1.6202 -1.2527 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2339 0.8073 -2.0282 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 2 0 6 7 1 0 7 8 2 0 8 9 1 0 9 10 1 0 10 11 1 0 11 12 1 0 11 13 1 0 13 14 1 0 14 15 1 0 15 16 1 0 16 17 1 0 16 18 1 0 18 19 1 0 18 20 1 0 20 21 1 0 21 22 1 0 8 3 1 0 22 10 1 0 17 6 1 0 22 7 1 0 22 15 1 0 1 23 1 0 1 24 1 0 1 25 1 0 4 26 1 0 5 27 1 0 10 28 1 0 11 29 1 0 12 30 1 0 13 31 1 0 13 32 1 0 14 33 1 0 14 34 1 0 15 35 1 0 16 36 1 0 17 37 1 0 17 38 1 0 19 39 1 0 19 40 1 0 19 41 1 0 20 42 1 0 20 43 1 0 21 44 1 0 21 45 1 0 M END