HMDB0038107 RDKit 3D Quinceoxepine 31 31 0 0 0 0 0 0 0 0999 V2000 2.7735 0.4687 1.2459 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5127 -0.1468 0.2750 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2836 -0.1159 -0.2113 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1989 -0.8874 -0.8932 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9091 -1.2378 -1.1078 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0816 -0.8110 -0.0965 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3580 0.6633 -0.0696 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7614 1.0417 -0.3498 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9033 2.3535 -1.1066 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9284 0.5071 -0.0801 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2395 -0.7424 0.6451 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1220 -1.7619 0.5117 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3020 -1.4044 -0.5228 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6716 0.9081 1.7236 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9113 0.7071 1.9852 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3186 -1.0858 -0.6085 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0816 0.7495 -0.8078 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6707 0.1035 0.7499 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8573 -1.2333 -1.6733 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6419 -1.8102 -2.0069 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1166 -1.2276 0.8997 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1384 1.0605 0.9479 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2762 1.1710 -0.8410 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4475 2.2077 -2.0589 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4551 3.1041 -0.4962 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9008 2.7724 -1.3068 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7949 1.0641 -0.4505 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4661 -0.6001 1.6992 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1628 -1.1526 0.1496 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5703 -1.9028 1.4338 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5915 -2.7626 0.2484 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 2 4 1 0 4 5 2 0 5 6 1 0 6 7 1 0 7 8 1 0 8 9 1 0 8 10 2 0 10 11 1 0 11 12 1 0 12 13 1 0 13 6 1 0 1 14 1 0 1 15 1 0 3 16 1 0 3 17 1 0 3 18 1 0 4 19 1 0 5 20 1 0 6 21 1 0 7 22 1 0 7 23 1 0 9 24 1 0 9 25 1 0 9 26 1 0 10 27 1 0 11 28 1 0 11 29 1 0 12 30 1 0 12 31 1 0 M END