HMDB0248535 RDKit 3D Aprofene 51 52 0 0 0 0 0 0 0 0999 V2000 5.5676 -1.5541 0.1561 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3551 -0.8013 0.6253 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9441 0.2765 -0.2108 N 0 0 0 0 0 0 0 0 0 0 0 0 4.8371 1.4033 -0.2489 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1457 1.1573 -0.9189 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6481 0.7668 0.1610 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5397 -0.1926 -0.1001 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2815 0.3801 0.2980 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8021 -0.4888 0.1117 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6315 -1.6602 -0.3653 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1964 -0.0566 0.4752 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0859 0.4516 1.9184 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6747 1.0603 -0.3677 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5614 1.0302 -1.7528 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0352 2.0958 -2.4815 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6184 3.1925 -1.8895 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7426 3.2444 -0.5102 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2660 2.1764 0.1972 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0790 -1.2325 0.4020 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8150 -2.3759 1.1206 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6270 -3.4850 1.0651 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7456 -3.4759 0.2736 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0456 -2.3360 -0.4676 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1981 -1.2257 -0.3884 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5655 -2.5207 0.7505 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5283 -1.0948 0.3866 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4631 -1.9156 -0.8994 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5871 -0.4022 1.6326 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5366 -1.5545 0.6567 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3014 2.2349 -0.7926 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9937 1.8184 0.7810 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1876 0.2613 -1.5638 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3980 2.0056 -1.6255 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0152 1.1685 -0.2020 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3776 1.7277 -0.3323 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6396 0.9637 1.2740 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5845 -1.1395 0.4651 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3987 -0.3870 -1.2054 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4520 1.3442 1.8959 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5556 -0.3508 2.5102 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0608 0.5733 2.3933 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0990 0.1614 -2.2295 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9655 2.1105 -3.5718 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9763 4.0050 -2.5052 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2027 4.1004 0.0021 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3797 2.2481 1.2900 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9164 -2.3556 1.7456 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3851 -4.3570 1.6403 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4254 -4.3178 0.1871 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9282 -2.3304 -1.0909 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4245 -0.3479 -0.9577 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 3 6 1 0 6 7 1 0 7 8 1 0 8 9 1 0 9 10 2 0 9 11 1 0 11 12 1 0 11 13 1 0 13 14 2 0 14 15 1 0 15 16 2 0 16 17 1 0 17 18 2 0 11 19 1 0 19 20 2 0 20 21 1 0 21 22 2 0 22 23 1 0 23 24 2 0 18 13 1 0 24 19 1 0 1 25 1 0 1 26 1 0 1 27 1 0 2 28 1 0 2 29 1 0 4 30 1 0 4 31 1 0 5 32 1 0 5 33 1 0 5 34 1 0 6 35 1 0 6 36 1 0 7 37 1 0 7 38 1 0 12 39 1 0 12 40 1 0 12 41 1 0 14 42 1 0 15 43 1 0 16 44 1 0 17 45 1 0 18 46 1 0 20 47 1 0 21 48 1 0 22 49 1 0 23 50 1 0 24 51 1 0 M END