HMDB0015488 RDKit 3D Antrafenine 68 72 0 0 0 0 0 0 0 0999 V2000 -2.1274 0.5573 1.0309 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3903 -0.0206 0.1723 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0008 0.0784 0.3728 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4625 0.6989 1.5474 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6176 1.6330 1.4750 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7990 1.1545 0.8998 N 0 0 0 0 0 0 0 0 0 0 0 0 3.9407 1.9810 1.1040 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0578 1.0808 1.6488 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3673 0.1868 0.5223 N 0 0 0 0 0 0 0 0 0 0 0 0 6.6234 0.1657 -0.0607 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7910 0.6624 -1.3363 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0111 0.5876 -1.9839 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1019 0.0157 -1.3724 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9449 -0.4870 -0.0786 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1393 -1.0929 0.5804 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2905 -0.3664 0.3508 F 0 0 0 0 0 0 0 0 0 0 0 0 9.9583 -1.1129 1.9373 F 0 0 0 0 0 0 0 0 0 0 0 0 10.3455 -2.3729 0.1404 F 0 0 0 0 0 0 0 0 0 0 0 0 7.7427 -0.4049 0.5387 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2551 -0.6294 0.0910 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9919 -0.2352 0.8381 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9075 -0.7639 -0.9572 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0715 -1.5661 -1.7290 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5806 -2.4453 -2.6728 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9583 -2.5399 -2.8567 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7634 -1.7483 -2.0993 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2827 -0.8650 -1.1596 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1650 0.1225 -0.5735 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.2870 -0.4480 0.1127 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9213 -1.4433 1.0076 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9325 -1.9241 1.8546 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1917 -1.3712 1.7274 N 0 0 0 0 0 0 0 0 0 0 0 0 -7.4898 -0.4221 0.8514 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.8000 0.0469 0.7282 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.1520 0.9982 -0.2301 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.5607 1.3998 -0.2834 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.3073 0.1950 -0.1570 F 0 0 0 0 0 0 0 0 0 0 0 0 -10.8628 2.2532 0.7341 F 0 0 0 0 0 0 0 0 0 0 0 0 -10.8770 1.9749 -1.5027 F 0 0 0 0 0 0 0 0 0 0 0 0 -8.1789 1.4875 -1.0757 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8806 1.0342 -0.9608 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5415 0.0824 -0.0085 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8679 -0.2359 2.1539 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3813 1.0367 2.2149 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2792 2.5723 0.9163 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8454 2.0106 2.5547 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7573 2.7309 1.9180 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3027 2.4968 0.2242 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9031 1.7462 1.9094 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6780 0.4388 2.4612 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9758 1.1334 -1.9073 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0946 0.9859 -3.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0513 -0.0501 -1.8663 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6318 -0.7982 1.5437 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4411 -1.7036 0.2716 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1040 -0.5487 -1.0190 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1136 -0.7005 0.2608 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9989 -0.7349 1.8091 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0174 -1.4632 -1.5845 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9105 -3.0370 -3.2480 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3316 -3.2458 -3.5687 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8718 -1.7676 -2.2080 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9815 1.1220 -0.6518 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9197 -1.8543 1.1230 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7194 -2.6742 2.5770 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.5212 -0.3848 1.3917 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5136 2.2083 -1.8006 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1212 1.4050 -1.6351 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 1 0 4 5 1 0 5 6 1 0 6 7 1 0 7 8 1 0 8 9 1 0 9 10 1 0 10 11 2 0 11 12 1 0 12 13 2 0 13 14 1 0 14 15 1 0 15 16 1 0 15 17 1 0 15 18 1 0 14 19 2 0 9 20 1 0 20 21 1 0 2 22 1 0 22 23 2 0 23 24 1 0 24 25 2 0 25 26 1 0 26 27 2 0 27 28 1 0 28 29 1 0 29 30 2 0 30 31 1 0 31 32 2 0 32 33 1 0 33 34 2 0 34 35 1 0 35 36 1 0 36 37 1 0 36 38 1 0 36 39 1 0 35 40 2 0 40 41 1 0 41 42 2 0 21 6 1 0 27 22 1 0 42 29 1 0 19 10 1 0 42 33 1 0 4 43 1 0 4 44 1 0 5 45 1 0 5 46 1 0 7 47 1 0 7 48 1 0 8 49 1 0 8 50 1 0 11 51 1 0 12 52 1 0 13 53 1 0 19 54 1 0 20 55 1 0 20 56 1 0 21 57 1 0 21 58 1 0 23 59 1 0 24 60 1 0 25 61 1 0 26 62 1 0 28 63 1 0 30 64 1 0 31 65 1 0 34 66 1 0 40 67 1 0 41 68 1 0 M END