HMDB0254780 RDKit 3D (S)-3-(6-Methoxypyridin-3-yl)-3-(2-oxo-3-(3-(5,6,7,8-tetrahydro-1,8-naphthyri... 61 64 0 0 0 0 0 0 0 0999 V2000 -8.1741 0.3833 3.6013 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7888 0.2246 3.7845 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.8630 0.3587 2.7592 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5220 0.1860 3.0275 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5758 0.3123 2.0308 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9463 0.6142 0.7424 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9920 0.7586 -0.3601 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7165 0.9963 -1.6658 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7845 1.1423 -2.8081 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5458 1.0661 -2.6401 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2988 1.3637 -4.0612 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0141 -0.2910 -0.4182 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.2211 -1.6991 -0.6765 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9786 -2.4325 -0.2238 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0247 -1.4067 -0.3841 N 0 0 0 0 0 0 0 0 0 0 0 0 1.4232 -1.6726 -0.6533 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7245 -1.7411 -2.1340 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2049 -2.0226 -2.2765 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0243 -0.9568 -1.6493 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4587 0.1626 -2.3179 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2200 1.1059 -1.6488 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5209 0.8919 -0.3234 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0766 -0.2355 0.3288 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3422 -1.1267 -0.3506 N 0 0 0 0 0 0 0 0 0 0 0 0 5.4047 -0.4380 1.7175 N 0 0 0 0 0 0 0 0 0 0 0 0 5.9888 0.6204 2.5175 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7227 1.9616 1.8376 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3318 1.8617 0.4530 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6113 -0.1526 -0.2311 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0054 0.9118 0.0315 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.2878 0.7837 0.4895 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2062 0.6534 1.4940 N 0 0 0 0 0 0 0 0 0 0 0 0 -8.4092 0.8750 2.6138 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6619 -0.5889 3.6862 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5408 1.0348 4.4437 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1957 -0.0527 4.0326 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5171 0.1848 2.1998 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4536 1.7328 -0.1449 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4059 0.1509 -1.8269 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2733 1.9687 -1.5619 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0221 2.1443 -4.6553 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3885 -1.9191 -1.7465 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0574 -2.1102 -0.0387 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0590 -2.7683 0.8301 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7730 -3.3297 -0.8378 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9790 -0.7643 -0.2774 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8026 -2.5476 -0.1064 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5076 -0.7826 -2.6434 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1498 -2.5292 -2.6588 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4911 -3.0240 -1.9288 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4246 -1.9863 -3.3754 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1958 0.2876 -3.3638 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5676 1.9997 -2.1800 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2115 -1.3624 2.1304 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0971 0.4737 2.5618 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5410 0.5758 3.5215 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1939 2.7601 2.4452 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6262 2.0986 1.7525 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3867 2.8524 -0.0421 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3474 1.4192 0.5796 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7008 1.0230 -0.4900 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 1 0 8 9 1 0 9 10 2 0 9 11 1 0 7 12 1 0 12 13 1 0 13 14 1 0 14 15 1 0 15 16 1 0 16 17 1 0 17 18 1 0 18 19 1 0 19 20 2 0 20 21 1 0 21 22 2 0 22 23 1 0 23 24 2 0 23 25 1 0 25 26 1 0 26 27 1 0 27 28 1 0 15 29 1 0 29 30 2 0 6 31 1 0 31 32 2 0 32 3 1 0 29 12 1 0 24 19 1 0 28 22 1 0 1 33 1 0 1 34 1 0 1 35 1 0 4 36 1 0 5 37 1 0 7 38 1 0 8 39 1 0 8 40 1 0 11 41 1 0 13 42 1 0 13 43 1 0 14 44 1 0 14 45 1 0 16 46 1 0 16 47 1 0 17 48 1 0 17 49 1 0 18 50 1 0 18 51 1 0 20 52 1 0 21 53 1 0 25 54 1 0 26 55 1 0 26 56 1 0 27 57 1 0 27 58 1 0 28 59 1 0 28 60 1 0 31 61 1 0 M END