HMDB0060929 RDKit 3D Dihydroisomorphine 42 46 0 0 0 0 0 0 0 0999 V2000 -3.7343 0.8749 -0.8579 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3269 1.1605 -0.9035 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.7471 0.5155 -2.0519 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2447 0.3525 -1.9534 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2083 -0.3211 -0.7087 C 0 0 2 0 0 0 0 0 0 0 0 0 1.0982 0.6083 0.0501 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6270 1.6800 0.7369 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5697 2.4600 1.3912 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9171 2.1278 1.3232 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3282 1.0082 0.5968 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6686 0.6744 0.5270 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4038 0.2123 -0.0662 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4507 -0.9380 -0.8552 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1100 -1.4865 -0.8764 C 0 0 1 0 0 0 0 0 0 0 0 0 0.9079 -2.5976 0.0700 C 0 0 2 0 0 0 0 0 0 0 0 0 0.1641 -3.6115 -0.5778 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3186 -2.2886 1.3891 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5015 -1.0570 1.5042 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9752 -0.5198 0.2026 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.6485 0.8132 0.3302 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.8102 1.9524 0.7663 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9437 -0.1831 -0.5713 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1731 1.1503 -1.8248 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2259 1.5125 -0.0900 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2259 -0.4608 -2.2784 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9412 1.1608 -2.9340 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2655 1.3322 -2.0868 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0681 -0.2837 -2.8172 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1974 3.3145 1.9388 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6506 2.7517 1.8438 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9824 -0.1159 0.0171 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9971 -1.8618 -1.9218 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9148 -3.0792 0.2497 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4696 -4.5024 -0.3024 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3295 -3.1659 1.6848 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1036 -2.2750 2.1895 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0514 -0.2885 2.0851 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4223 -1.2554 2.1277 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6671 -1.2062 -0.2942 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4678 0.6785 1.0866 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1031 2.3392 1.7834 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9848 2.8183 0.0776 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 5 4 1 6 5 6 1 0 6 7 2 0 7 8 1 0 8 9 2 0 9 10 1 0 10 11 1 0 10 12 2 0 12 13 1 0 13 14 1 0 14 15 1 0 15 16 1 0 15 17 1 0 17 18 1 0 18 19 1 0 19 20 1 0 20 21 1 0 20 2 1 0 14 5 1 0 19 5 1 0 12 6 1 0 21 7 1 0 1 22 1 0 1 23 1 0 1 24 1 0 3 25 1 0 3 26 1 0 4 27 1 0 4 28 1 0 8 29 1 0 9 30 1 0 11 31 1 0 14 32 1 6 15 33 1 1 16 34 1 0 17 35 1 0 17 36 1 0 18 37 1 0 18 38 1 0 19 39 1 6 20 40 1 1 21 41 1 0 21 42 1 0 M END