HMDB0248386 RDKit 3D Anazolene 61 65 0 0 0 0 0 0 0 0999 V2000 6.3355 -4.8696 0.2442 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9057 -3.5640 0.7652 S 0 0 0 0 0 6 0 0 0 0 0 0 8.1750 -3.2122 0.0682 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1848 -3.7552 2.3922 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7134 -2.2890 0.4728 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3787 -2.5727 0.4108 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4732 -1.5763 0.1843 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1201 -1.8472 0.1188 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8493 -0.2451 0.0077 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9180 0.7500 -0.2206 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5548 0.3483 -0.2666 N 0 0 0 0 0 0 0 0 0 0 0 0 0.6102 1.0975 0.1337 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.7463 0.6622 0.0730 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3862 0.3445 1.2416 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6840 -0.0718 1.1440 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3698 -0.1806 -0.1036 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6149 -0.8046 -0.0424 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.4311 -0.5633 1.1007 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3889 -1.5043 1.5109 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2222 -1.3166 2.5665 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1424 -0.1625 3.2791 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2333 0.8086 2.9434 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4034 0.5804 1.8629 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7251 0.1413 -1.2473 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3588 0.0961 -2.4697 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0021 -0.3362 -2.6701 S 0 0 0 0 0 6 0 0 0 0 0 0 -5.3123 -1.7395 -3.0123 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.3575 0.3034 -4.0809 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.1287 0.5143 -1.7832 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5736 0.4917 -3.5745 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2694 0.9007 -3.4722 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6850 0.9337 -2.2342 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3986 0.5642 -1.1462 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3384 2.0313 -0.3859 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6731 2.3390 -0.3277 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2841 3.9644 -0.5312 S 0 0 0 0 0 6 0 0 0 0 0 0 6.6465 3.9178 -1.1450 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3515 4.7578 -1.4306 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3591 4.7337 0.9575 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5841 1.3337 -0.0994 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1919 0.0125 0.0744 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1154 -0.9834 0.3022 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8199 -3.0332 2.6817 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0132 -3.5769 0.5375 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8043 -2.7851 0.2392 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9212 0.4070 2.2156 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2108 -0.3535 2.0421 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9412 -1.4751 -0.6848 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4188 -2.4221 0.9069 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9381 -2.1081 2.8119 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8087 -0.0189 4.1191 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1769 1.7358 3.5245 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7098 1.3629 1.6108 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9248 1.4624 -1.8761 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0282 0.4669 -4.5483 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6774 1.1991 -4.3208 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3346 1.2551 -2.1576 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6291 2.8102 -0.5631 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0008 4.2602 1.5460 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6555 1.5268 -0.0442 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1690 -0.7464 0.3491 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 2 0 2 4 1 0 2 5 1 0 5 6 2 0 6 7 1 0 7 8 1 0 7 9 2 0 9 10 1 0 10 11 1 0 11 12 2 3 12 13 1 0 13 14 2 0 14 15 1 0 15 16 2 0 16 17 1 0 17 18 1 0 18 19 2 0 19 20 1 0 20 21 2 0 21 22 1 0 22 23 2 0 16 24 1 0 24 25 2 0 25 26 1 0 26 27 2 0 26 28 2 0 26 29 1 0 25 30 1 0 30 31 2 0 31 32 1 0 32 33 2 0 10 34 2 0 34 35 1 0 35 36 1 0 36 37 2 0 36 38 2 0 36 39 1 0 35 40 2 0 40 41 1 0 41 42 2 0 42 5 1 0 41 9 1 0 33 13 1 0 23 18 1 0 33 24 1 0 4 43 1 0 6 44 1 0 8 45 1 0 14 46 1 0 15 47 1 0 17 48 1 0 19 49 1 0 20 50 1 0 21 51 1 0 22 52 1 0 23 53 1 0 29 54 1 0 30 55 1 0 31 56 1 0 32 57 1 0 34 58 1 0 39 59 1 0 40 60 1 0 42 61 1 0 M END