HMDB0060909 RDKit 3D 7-alpha-Hydroxy-delta-9-THC 54 56 0 0 0 0 0 0 0 0999 V2000 4.9025 -0.3742 1.8341 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2391 -1.3528 0.7563 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2671 -1.1762 -0.4047 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4143 0.2232 -0.9018 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4992 0.5333 -2.0628 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0659 0.3650 -1.7001 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4034 -0.8380 -1.8566 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0775 -0.9832 -1.5180 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5247 -2.2130 -1.6989 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6436 0.0533 -1.0126 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0180 1.2758 -0.8397 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3072 1.3931 -1.1861 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7301 2.3778 -0.3173 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9937 2.2232 0.3104 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0260 2.6384 -0.7332 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1603 3.1685 1.4759 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1176 0.7918 0.6932 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0621 -0.0009 -0.6207 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6588 -1.3305 -0.5092 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1056 -1.8594 0.6301 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6870 -3.2177 0.6037 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0209 -1.0649 1.9136 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2647 0.4141 1.5505 C 0 0 2 0 0 0 0 0 0 0 0 0 -4.5059 0.5386 0.9773 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4521 -0.6913 2.7542 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8149 -0.4446 2.0905 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2082 0.6561 1.6253 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2701 -1.2393 0.4183 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1146 -2.3750 1.1821 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6322 -1.8584 -1.2057 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2371 -1.3767 -0.1087 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2357 0.9975 -0.1352 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4541 0.3409 -1.2802 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7047 -0.1838 -2.8966 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6800 1.5355 -2.4676 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9691 -1.6868 -2.2634 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0055 -2.9891 -2.0714 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8064 2.3440 -1.0553 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3676 3.6957 -0.5527 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9234 2.0224 -0.7260 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5887 2.6613 -1.7612 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8251 2.7180 2.4342 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5872 4.0932 1.2583 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2289 3.4577 1.5515 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1851 0.5151 1.2568 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6104 0.6063 -1.4064 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7634 -1.9341 -1.4001 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9563 -4.0064 0.8476 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0628 -3.4485 -0.4232 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5783 -3.2350 1.2597 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7227 -1.4229 2.6624 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9574 -1.1254 2.2243 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2013 0.9597 2.4909 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6724 -0.1714 0.3141 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 5 6 1 0 6 7 2 0 7 8 1 0 8 9 1 0 8 10 2 0 10 11 1 0 11 12 2 0 11 13 1 0 13 14 1 0 14 15 1 0 14 16 1 0 14 17 1 0 17 18 1 0 18 19 1 0 19 20 2 0 20 21 1 0 20 22 1 0 22 23 1 0 23 24 1 0 12 6 1 0 23 17 1 0 18 10 1 0 1 25 1 0 1 26 1 0 1 27 1 0 2 28 1 0 2 29 1 0 3 30 1 0 3 31 1 0 4 32 1 0 4 33 1 0 5 34 1 0 5 35 1 0 7 36 1 0 9 37 1 0 12 38 1 0 15 39 1 0 15 40 1 0 15 41 1 0 16 42 1 0 16 43 1 0 16 44 1 0 17 45 1 0 18 46 1 0 19 47 1 0 21 48 1 0 21 49 1 0 21 50 1 0 22 51 1 0 22 52 1 0 23 53 1 1 24 54 1 0 M END